#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvz s LYS 2 N 0.00 2.22 -0.27 -0.78 1.02 -1.26 -4.99 119.74 115.69 1mvz s LYS 2 Ca 0.00 0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.91 1mvz s LYS 2 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1mvz s LYS 2 CO 0.00 -1.44 1.84 0.45 -0.92 0.00 0.00 175.35 175.28 1mvz s SER 3 N -4.52 5.95 -0.09 2.83 0.15 -1.26 -4.95 113.70 111.81 1mvz s SER 3 Ca 0.61 1.54 -0.21 0.00 0.70 0.00 0.00 55.95 58.59 1mvz s SER 3 Cb -0.11 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1mvz s SER 3 CO 0.50 -1.62 0.50 0.28 1.20 0.00 0.00 173.24 174.10 1mvz s THR 4 N 6.64 0.02 -0.35 6.45 -1.32 -1.26 -5.08 115.64 120.74 1mvz s THR 4 Ca 0.82 -0.16 0.13 0.00 -1.21 0.00 0.00 61.69 61.27 1mvz s THR 4 Cb -0.26 -0.78 0.42 0.00 -1.51 0.00 0.00 72.50 70.37 1mvz s THR 4 CO 0.33 -0.09 1.36 1.07 -2.21 0.00 0.00 174.62 175.08 1mvz n THR 5 N 1.65 0.28 -0.79 5.08 5.66 -1.26 -5.02 114.28 119.88 1mvz n THR 5 Ca -0.18 -1.67 -0.31 0.00 -3.05 0.00 0.00 64.05 58.84 1mvz n THR 5 Cb 0.56 1.00 0.15 0.00 -1.55 0.00 0.00 70.33 70.50 1mvz n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mvz s THR 6 N -0.74 2.25 -0.69 1.09 -4.23 -1.26 -0.93 115.64 111.13 1mvz s THR 6 Ca 0.18 0.08 -0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1mvz s THR 6 Cb 0.42 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 1mvz s THR 6 CO -0.08 -0.11 2.08 0.00 -0.54 0.00 0.00 174.62 175.97 1mvz s ALA 7 N -2.68 1.70 0.26 3.99 0.00 -1.26 -4.40 121.76 119.38 1mvz s ALA 7 Ca 0.66 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1mvz s ALA 7 Cb -0.22 -4.42 -0.01 0.00 0.00 0.00 0.00 23.12 18.47 1mvz s ALA 7 CO 0.57 -4.56 0.06 0.00 0.00 0.00 0.00 175.76 171.83 1mvz n ASP 10 N -0.17 0.00 -4.55 0.00 2.03 -1.26 -2.34 116.55 110.25 1mvz n ASP 10 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 1mvz n ASP 10 Cb 0.60 -0.09 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1mvz s PHE 11 N -0.30 3.04 -0.66 -0.67 0.08 -1.26 -4.94 117.98 113.26 1mvz s PHE 11 Ca 0.00 0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.37 1mvz s PHE 11 Cb 0.00 -3.54 0.28 0.00 -0.57 0.00 0.00 43.02 39.19 1mvz s PHE 11 CO 0.00 -0.89 0.88 0.00 -0.10 0.00 0.00 175.22 175.11 1mvz s PRO 13 N -2.82 3.85 0.13 0.00 0.04 -1.17 -4.77 135.00 130.26 1mvz s PRO 13 Ca 0.42 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1mvz s PRO 13 Cb 0.18 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1mvz s PRO 13 CO -0.04 -0.48 -0.10 0.00 0.04 0.00 0.00 177.00 176.42 1mvz s THR 15 N -3.19 4.97 -0.44 0.00 -4.23 -0.31 -5.00 115.64 107.43 1mvz s THR 15 Ca 0.14 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1mvz s THR 15 Cb 0.02 -3.81 0.50 0.00 1.34 0.00 0.00 72.50 70.55 1mvz s THR 15 CO -0.00 -0.60 1.66 0.54 -0.54 0.00 0.00 174.62 175.67 1mvz n ARG 16 N -1.67 2.63 -1.78 3.99 1.74 -1.26 -4.41 116.66 115.90 1mvz n ARG 16 Ca -0.01 -3.45 -0.17 0.00 -0.77 0.00 0.00 57.85 53.45 1mvz n ARG 16 Cb 0.55 -2.15 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1mvz n SER 17 N -0.96 0.70 -3.86 0.55 3.41 -1.26 -4.97 113.62 107.23 1mvz n SER 17 Ca 0.50 -1.66 -0.28 0.00 -0.26 0.00 0.00 58.87 57.16 1mvz n SER 17 Cb 0.98 -0.51 -0.16 0.00 -0.26 0.00 0.00 64.21 64.26 1mvz n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1mvz s ILE 18 N -2.29 1.05 0.58 -1.33 -1.09 -1.26 -1.85 121.20 115.02 1mvz s ILE 18 Ca 0.47 -0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 57.99 1mvz s ILE 18 Cb -0.02 -1.32 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1mvz s ILE 18 CO 0.32 0.01 1.13 -2.16 -1.23 0.00 0.00 174.94 173.00 1mvz s PRO 19 N 1.64 3.15 0.11 2.79 0.04 -1.26 -5.10 135.00 136.37 1mvz s PRO 19 Ca -0.01 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1mvz s PRO 19 Cb -0.16 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1mvz s PRO 19 CO -0.07 -1.00 1.14 -1.25 0.04 0.00 0.00 177.00 175.85 1mvz s PRO 20 N -3.55 4.51 -0.12 0.56 0.04 -0.77 -5.03 135.00 130.64 1mvz s PRO 20 Ca 0.71 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 1mvz s PRO 20 Cb -0.23 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1mvz s PRO 20 CO 0.32 -0.10 0.04 1.14 0.04 0.00 0.00 177.00 178.44 1mvz s GLN 21 N 0.43 3.34 0.08 4.56 0.00 -1.26 -4.67 119.66 122.14 1mvz s GLN 21 Ca 0.54 -0.34 0.04 0.00 -0.00 0.00 0.00 55.36 55.60 1mvz s GLN 21 Cb -0.29 -2.98 -0.04 0.00 0.00 0.00 0.00 33.01 29.71 1mvz s GLN 21 CO 0.32 0.60 0.02 0.00 0.00 0.00 0.00 175.29 176.23 1mvz s GLN 23 N -2.31 1.48 -0.04 0.00 -0.21 -0.41 -0.99 119.66 117.17 1mvz s GLN 23 Ca 0.27 -1.82 0.04 0.00 0.02 0.00 0.00 55.36 53.86 1mvz s GLN 23 Cb -0.12 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.77 1mvz s GLN 23 CO 0.19 -0.38 -0.15 0.00 -2.12 0.00 0.00 175.29 172.83 1mvz n THR 25 N 3.29 2.25 -2.28 0.00 -2.24 -0.45 -4.30 114.28 110.55 1mvz n THR 25 Ca -0.19 -2.52 -0.35 0.00 -2.27 0.00 0.00 64.05 58.72 1mvz n THR 25 Cb 0.53 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1mvz n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mvz s ASP 26 N -2.62 5.81 -0.05 3.42 3.68 -1.24 -4.82 116.67 120.85 1mvz s ASP 26 Ca 0.40 2.11 -0.00 0.00 2.13 0.00 0.00 52.55 57.19 1mvz s ASP 26 Cb 0.35 -2.57 0.03 0.00 -1.45 0.00 0.00 42.92 39.27 1mvz s ASP 26 CO 0.01 -1.16 -0.00 -0.69 0.13 0.00 0.00 175.17 173.46 1mvz s VAL 27 N -1.86 0.29 0.00 1.11 1.01 -1.26 -3.71 120.40 115.99 1mvz s VAL 27 Ca 0.71 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1mvz s VAL 27 Cb -0.22 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1mvz s VAL 27 CO 0.27 0.20 0.00 -1.14 0.00 0.00 0.00 175.10 174.43 1mvz n ARG 28 N 4.51 0.00 0.00 2.72 0.00 -0.44 -5.00 116.66 118.46 1mvz n ARG 28 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1mvz n ARG 28 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1mvz n GLU 29 N 0.00 3.11 -0.84 -0.14 2.13 -1.26 -1.94 120.64 121.69 1mvz n GLU 29 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1mvz n GLU 29 Cb 0.00 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.87 1mvz n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1mvz s LYS 30 N 0.00 1.01 0.52 5.31 -0.14 -1.26 -4.03 119.74 121.15 1mvz s LYS 30 Ca 0.00 1.30 -0.18 0.00 -1.36 0.00 0.00 55.97 55.73 1mvz s LYS 30 Cb 0.00 -1.74 -0.07 0.00 -1.68 0.00 0.00 37.83 34.33 1mvz s LYS 30 CO 0.00 -2.55 1.03 0.00 -0.76 0.00 0.00 175.35 173.07 1mvz s HIS 32 N -2.26 2.94 0.31 0.00 -3.43 -1.26 -4.91 115.29 106.67 1mvz s HIS 32 Ca 0.64 1.05 0.08 0.00 -0.80 0.00 0.00 55.06 56.03 1mvz s HIS 32 Cb -0.14 -3.18 0.83 0.00 -1.43 0.00 0.00 32.58 28.66 1mvz s HIS 32 CO 0.26 -1.68 1.74 1.03 -2.00 0.00 0.00 174.74 174.10 1mvz h SER 33 N -1.02 0.70 -0.70 7.38 0.87 -1.24 -0.99 113.55 118.55 1mvz h SER 33 Ca -0.47 0.12 -0.40 0.00 -1.23 0.00 0.00 61.79 59.82 1mvz h SER 33 Cb 1.28 0.01 -0.23 0.00 -0.44 0.00 0.00 62.40 63.02 1mvz h SER 33 CO 0.61 0.16 0.24 0.00 -0.53 0.00 0.00 176.83 177.31 1mvz n ALA 34 N -2.33 5.12 -2.68 6.23 0.00 -1.26 -4.96 120.51 120.63 1mvz n ALA 34 Ca 0.25 -3.17 -0.36 0.00 0.00 0.00 0.00 53.44 50.16 1mvz n ALA 34 Cb 0.68 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1mvz n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n LYS 36 N 4.08 0.42 -3.97 0.00 4.81 -1.26 -4.87 118.16 117.36 1mvz n LYS 36 Ca -0.15 0.14 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 1mvz n LYS 36 Cb 0.52 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.21 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mvz s SER 37 N -6.23 5.34 -0.08 3.14 0.15 -1.26 -4.99 113.70 109.76 1mvz s SER 37 Ca -0.25 -0.06 -0.10 0.00 0.70 0.00 0.00 55.95 56.24 1mvz s SER 37 Cb 0.08 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 1mvz s SER 37 CO 0.36 0.09 0.27 0.00 1.20 0.00 0.00 173.24 175.17 1mvz s LEU 39 N -0.17 1.08 0.29 0.00 2.96 -0.44 -4.92 118.68 117.49 1mvz s LEU 39 Ca -0.03 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1mvz s LEU 39 Cb -0.03 1.12 -0.06 0.00 0.50 0.00 0.00 46.19 47.72 1mvz s LEU 39 CO 0.01 -0.48 -0.03 0.00 -1.32 0.00 0.00 176.35 174.53 1mvz s THR 41 N -3.08 4.65 -1.34 0.00 -4.23 -0.45 -4.98 115.64 106.20 1mvz s THR 41 Ca 0.31 0.95 0.07 0.00 -1.18 0.00 0.00 61.69 61.84 1mvz s THR 41 Cb 0.05 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.48 1mvz s THR 41 CO 0.13 -0.51 1.09 -2.11 -0.54 0.00 0.00 174.62 172.68 1mvz n ARG 42 N -1.20 2.08 -1.08 3.99 1.85 -1.26 -4.34 116.66 116.71 1mvz n ARG 42 Ca 0.04 -1.11 -0.19 0.00 -1.00 0.00 0.00 57.85 55.59 1mvz n ARG 42 Cb 0.54 -1.52 0.14 0.00 -1.05 0.00 0.00 32.46 30.58 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1mvz n SER 43 N 0.28 -0.47 -3.75 2.89 3.41 -1.26 -4.95 113.62 109.77 1mvz n SER 43 Ca 0.10 -1.20 -0.26 0.00 -0.26 0.00 0.00 58.87 57.25 1mvz n SER 43 Cb 0.43 -0.67 -0.17 0.00 -0.26 0.00 0.00 64.21 63.54 1mvz n SER 43 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1mvz s PHE 44 N -2.73 0.87 0.36 7.33 5.36 -1.26 -2.43 117.98 125.47 1mvz s PHE 44 Ca 0.49 -0.54 -0.27 0.00 -0.96 0.00 0.00 56.93 55.65 1mvz s PHE 44 Cb -0.02 -0.93 -0.09 0.00 -0.34 0.00 0.00 43.02 41.64 1mvz s PHE 44 CO 0.35 -0.48 1.17 -1.25 -1.46 0.00 0.00 175.22 173.55 1mvz s PRO 45 N 1.91 4.26 0.00 10.12 0.04 -1.26 -5.10 135.00 144.97 1mvz s PRO 45 Ca 0.02 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1mvz s PRO 45 Cb -0.15 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 1mvz s PRO 45 CO -0.07 -0.15 1.37 -1.25 0.04 0.00 0.00 177.00 176.94 1mvz s PRO 46 N -2.01 4.30 -0.17 0.56 0.04 -1.02 -5.01 135.00 131.69 1mvz s PRO 46 Ca 0.53 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.44 1mvz s PRO 46 Cb -0.32 -3.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 1mvz s PRO 46 CO 0.41 -0.54 0.01 -0.65 0.04 0.00 0.00 177.00 176.27 1mvz s GLN 47 N 2.27 3.83 0.07 4.56 -1.52 -1.26 -4.93 119.66 122.68 1mvz s GLN 47 Ca 0.63 -0.43 0.03 0.00 -1.95 0.00 0.00 55.36 53.64 1mvz s GLN 47 Cb -0.31 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.37 1mvz s GLN 47 CO 0.26 0.26 0.06 0.00 -0.25 0.00 0.00 175.29 175.62 1mvz s ARG 49 N -2.28 0.01 -0.14 0.00 0.52 -0.17 -1.32 118.95 115.56 1mvz s ARG 49 Ca 0.28 0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 55.73 1mvz s ARG 49 Cb -0.12 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 1mvz s ARG 49 CO 0.20 -0.30 0.85 0.00 0.02 0.00 0.00 175.30 176.07 1mvz n TYR 51 N 4.96 0.28 -1.69 0.00 9.36 0.36 -4.31 117.16 126.12 1mvz n TYR 51 Ca 0.04 -1.34 -0.39 0.00 3.32 0.00 0.00 57.90 59.54 1mvz n TYR 51 Cb 0.49 -0.28 0.04 0.00 -0.63 0.00 0.00 39.34 38.97 1mvz n TYR 51 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1mvz n ASP 52 N -1.16 1.96 -4.68 2.98 2.03 -0.64 -4.65 116.55 112.39 1mvz n ASP 52 Ca 0.21 0.92 -0.35 0.00 0.52 0.00 0.00 54.79 56.10 1mvz n ASP 52 Cb 0.76 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.57 1mvz n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mvz s ILE 53 N -1.35 5.03 0.05 5.18 -1.09 -1.26 -4.10 121.20 123.66 1mvz s ILE 53 Ca 0.73 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1mvz s ILE 53 Cb -0.43 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1mvz s ILE 53 CO 0.49 0.47 0.04 0.35 -1.23 0.00 0.00 174.94 175.06 1mvz n THR 54 N 3.39 0.00 -1.01 2.92 -2.24 -0.16 -4.98 114.28 112.19 1mvz n THR 54 Ca -0.17 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1mvz n THR 54 Cb 0.52 0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1mvz n THR 54 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1mvz n ASP 55 N -2.77 1.24 -3.15 3.42 2.03 -1.26 -0.94 116.55 115.12 1mvz n ASP 55 Ca 0.01 -2.15 -0.09 0.00 0.52 0.00 0.00 54.79 53.09 1mvz n ASP 55 Cb 0.10 -0.18 0.01 0.00 -0.72 0.00 0.00 41.12 40.32 1mvz n ASP 55 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1mvz s PHE 56 N -1.16 0.13 0.04 -0.67 -0.12 -1.26 -4.82 117.98 110.13 1mvz s PHE 56 Ca 0.10 -0.73 0.08 0.00 -0.05 0.00 0.00 56.93 56.33 1mvz s PHE 56 Cb 0.09 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 43.19 1mvz s PHE 56 CO 0.01 -1.47 -0.22 0.00 -0.05 0.00 0.00 175.22 173.49 1mvz s TYR 58 N -0.81 3.50 0.93 0.00 2.02 -1.26 -5.10 117.35 116.63 1mvz s TYR 58 Ca 0.09 0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 57.22 1mvz s TYR 58 Cb -0.09 -2.04 0.15 0.00 -0.40 0.00 0.00 41.96 39.57 1mvz s TYR 58 CO 0.02 0.10 1.10 -1.25 -1.57 0.00 0.00 175.55 173.95 1mvz s PRO 59 N -4.00 0.96 0.33 -1.71 0.04 -1.26 -4.48 135.00 124.89 1mvz s PRO 59 Ca 0.43 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1mvz s PRO 59 Cb -0.10 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1mvz s PRO 59 CO 0.34 -2.55 1.44 -1.54 0.04 0.00 0.00 177.00 174.73 1mvz s SER 60 N -2.95 6.52 0.88 6.66 1.04 -1.25 -3.06 113.70 121.53 1mvz s SER 60 Ca 0.65 2.88 -0.13 0.00 0.48 0.00 0.00 55.95 59.83 1mvz s SER 60 Cb -0.21 -2.65 0.15 0.00 0.10 0.00 0.00 66.02 63.41 1mvz s SER 60 CO 0.59 -0.75 1.23 0.00 0.98 0.00 0.00 173.24 175.28