#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 2.86 -0.80 -0.78 1.02 -1.26 -4.90 119.74 115.88 1mvz s LYS 2 Ca 0.00 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1mvz s LYS 2 Cb 0.00 -4.59 0.23 0.00 -0.52 0.00 0.00 37.83 32.95 1mvz s LYS 2 CO 0.00 -2.66 0.81 -1.13 -0.92 0.00 0.00 175.35 171.45 1mvz n SER 3 N 11.72 4.12 -3.92 2.83 3.41 -1.26 -5.02 113.62 125.51 1mvz n SER 3 Ca 0.22 -3.29 -0.08 0.00 -0.26 0.00 0.00 58.87 55.45 1mvz n SER 3 Cb 0.50 -0.90 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 1mvz n SER 3 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1mvz s THR 4 N -1.96 0.00 0.00 6.66 -1.32 -1.26 -5.07 115.64 112.70 1mvz s THR 4 Ca 0.32 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1mvz s THR 4 Cb 0.02 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1mvz s THR 4 CO -0.07 -0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.69 1mvz n THR 5 N -0.42 0.00 -2.76 5.08 -2.24 -1.26 -4.84 114.28 107.85 1mvz n THR 5 Ca -0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1mvz n THR 5 Cb 0.61 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1mvz n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mvz s THR 6 N 0.00 4.23 0.28 4.28 -4.23 -1.26 -4.55 115.64 114.39 1mvz s THR 6 Ca 0.00 1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 61.70 1mvz s THR 6 Cb 0.00 -3.66 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1mvz s THR 6 CO 0.00 -0.21 1.46 0.00 -0.54 0.00 0.00 174.62 175.34 1mvz s ALA 7 N -2.02 3.63 0.22 3.99 0.00 -1.26 -4.56 121.76 121.77 1mvz s ALA 7 Ca 0.60 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.77 1mvz s ALA 7 Cb -0.13 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.45 1mvz s ALA 7 CO 0.17 -0.81 0.57 0.00 0.00 0.00 0.00 175.76 175.69 1mvz n ASP 10 N 0.12 0.32 -4.50 0.00 2.03 -1.26 -3.00 116.55 110.26 1mvz n ASP 10 Ca -0.09 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.85 1mvz n ASP 10 Cb 0.60 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.31 2.53 -0.75 -0.67 0.08 -1.26 -4.94 117.98 111.65 1mvz s PHE 11 Ca -0.04 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1mvz s PHE 11 Cb 0.01 -4.44 0.20 0.00 -0.57 0.00 0.00 43.02 38.22 1mvz s PHE 11 CO 0.06 -1.83 0.66 0.00 -0.10 0.00 0.00 175.22 174.01 1mvz s PRO 13 N -1.73 2.90 0.09 0.00 0.04 -1.22 -4.85 135.00 130.23 1mvz s PRO 13 Ca 0.29 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1mvz s PRO 13 Cb -0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1mvz s PRO 13 CO -0.12 -1.13 -0.08 0.00 0.04 0.00 0.00 177.00 175.71 1mvz s THR 15 N -2.84 2.00 -1.16 0.00 -4.23 -0.15 -4.99 115.64 104.27 1mvz s THR 15 Ca 0.07 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 1mvz s THR 15 Cb -0.00 -2.89 0.39 0.00 1.34 0.00 0.00 72.50 71.34 1mvz s THR 15 CO -0.02 0.00 1.32 -2.11 -0.54 0.00 0.00 174.62 173.28 1mvz n ARG 16 N -3.52 2.85 -1.35 3.99 1.85 -1.26 -4.57 116.66 114.65 1mvz n ARG 16 Ca 0.07 -2.20 -0.30 0.00 -1.00 0.00 0.00 57.85 54.42 1mvz n ARG 16 Cb 0.60 -1.35 0.24 0.00 -1.05 0.00 0.00 32.46 30.91 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1mvz s SER 17 N -1.01 1.28 -0.31 2.89 1.04 -1.26 -4.90 113.70 111.44 1mvz s SER 17 Ca 0.29 0.38 0.01 0.00 0.48 0.00 0.00 55.95 57.11 1mvz s SER 17 Cb 0.15 -0.46 0.09 0.00 0.10 0.00 0.00 66.02 65.91 1mvz s SER 17 CO 0.20 -3.88 0.07 -0.51 0.98 0.00 0.00 173.24 170.10 1mvz s ILE 18 N -3.33 1.28 0.59 -1.02 1.10 -1.26 -1.77 121.20 116.80 1mvz s ILE 18 Ca 0.74 -1.59 -0.15 0.00 -0.51 0.00 0.00 60.65 59.14 1mvz s ILE 18 Cb -0.06 -1.91 -0.04 0.00 0.15 0.00 0.00 42.46 40.60 1mvz s ILE 18 CO 0.55 -0.58 1.05 -2.16 -2.11 0.00 0.00 174.94 171.69 1mvz s PRO 19 N 1.42 3.36 0.22 3.50 0.04 -1.26 -5.14 135.00 137.15 1mvz s PRO 19 Ca 0.08 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 1mvz s PRO 19 Cb -0.18 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1mvz s PRO 19 CO -0.18 -0.77 0.88 -1.25 0.04 0.00 0.00 177.00 175.71 1mvz s PRO 20 N -4.20 4.71 -0.06 0.56 0.04 -0.73 -5.00 135.00 130.33 1mvz s PRO 20 Ca 0.62 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 1mvz s PRO 20 Cb -0.15 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1mvz s PRO 20 CO 0.38 0.52 -0.03 1.14 0.04 0.00 0.00 177.00 179.05 1mvz s GLN 21 N -1.27 2.84 -0.00 4.56 0.00 -1.26 -4.78 119.66 119.75 1mvz s GLN 21 Ca 0.40 -0.51 0.01 0.00 -0.00 0.00 0.00 55.36 55.26 1mvz s GLN 21 Cb -0.24 -2.69 -0.04 0.00 0.00 0.00 0.00 33.01 30.05 1mvz s GLN 21 CO 0.29 0.67 0.01 0.00 0.00 0.00 0.00 175.29 176.26 1mvz n GLN 23 N 1.39 0.57 -4.13 0.00 10.64 -0.76 -1.71 117.38 123.38 1mvz n GLN 23 Ca -0.14 -3.12 -0.15 0.00 -1.83 0.00 0.00 57.00 51.76 1mvz n GLN 23 Cb 0.53 2.77 -0.13 0.00 -0.86 0.00 0.00 30.24 32.55 1mvz n GLN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mvz n THR 25 N 1.94 1.53 -2.47 0.00 -2.24 -0.44 -4.59 114.28 108.02 1mvz n THR 25 Ca -0.19 -1.79 -0.34 0.00 -2.27 0.00 0.00 64.05 59.46 1mvz n THR 25 Cb 0.56 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.28 6.28 -0.15 3.42 2.15 -1.24 -4.88 116.67 119.96 1mvz s ASP 26 Ca 0.22 1.89 -0.04 0.00 0.43 0.00 0.00 52.55 55.05 1mvz s ASP 26 Cb 0.19 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 1mvz s ASP 26 CO 0.02 -0.83 0.12 -0.69 -0.17 0.00 0.00 175.17 173.63 1mvz s VAL 27 N -2.08 -0.16 0.00 1.11 1.01 -1.26 -3.62 120.40 115.39 1mvz s VAL 27 Ca 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1mvz s VAL 27 Cb -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1mvz s VAL 27 CO 0.23 -0.16 0.00 0.54 0.00 0.00 0.00 175.10 175.71 1mvz n ARG 28 N 5.30 0.00 0.00 2.72 1.74 -0.64 -4.93 116.66 120.84 1mvz n ARG 28 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1mvz n ARG 28 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1mvz n GLU 29 N 0.00 0.39 -0.84 5.56 2.13 -1.26 -1.25 120.64 125.37 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 0.17 0.00 0.27 0.00 0.00 31.44 31.88 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 0.85 0.30 5.31 1.02 -1.26 -3.90 119.74 122.05 1mvz s LYS 30 Ca 0.00 1.21 -0.12 0.00 0.02 0.00 0.00 55.97 57.09 1mvz s LYS 30 Cb 0.00 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.50 1mvz s LYS 30 CO 0.00 -2.64 0.66 0.00 -0.92 0.00 0.00 175.35 172.45 1mvz s HIS 32 N -1.99 2.13 0.39 0.00 -3.43 -1.26 -4.96 115.29 106.16 1mvz s HIS 32 Ca 0.51 0.28 0.06 0.00 -0.80 0.00 0.00 55.06 55.11 1mvz s HIS 32 Cb -0.11 -3.55 0.80 0.00 -1.43 0.00 0.00 32.58 28.30 1mvz s HIS 32 CO 0.22 -2.00 2.02 1.03 -2.00 0.00 0.00 174.74 174.01 1mvz h SER 33 N -1.04 0.56 -1.45 7.38 0.87 -1.80 -2.47 113.55 115.59 1mvz h SER 33 Ca -0.43 -0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.46 1mvz h SER 33 Cb 1.28 -0.13 -0.34 0.00 -0.44 0.00 0.00 62.40 62.76 1mvz h SER 33 CO 0.48 0.39 0.24 0.00 -0.53 0.00 0.00 176.83 177.41 1mvz n ALA 34 N -2.47 5.86 -3.48 6.23 0.00 -1.26 -4.81 120.51 120.58 1mvz n ALA 34 Ca 0.06 -3.98 -0.21 0.00 0.00 0.00 0.00 53.44 49.30 1mvz n ALA 34 Cb 0.12 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 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 5.29 0.84 -3.81 0.00 4.81 -1.26 -4.59 118.16 119.44 1mvz n LYS 36 Ca -0.04 0.06 -0.36 0.00 -0.87 0.00 0.00 58.31 57.10 1mvz n LYS 36 Cb 0.46 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 33.96 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 -5.68 5.70 -0.13 3.14 0.15 -1.26 -5.04 113.70 110.58 1mvz s SER 37 Ca -0.20 0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 1mvz s SER 37 Cb 0.07 -2.01 0.05 0.00 -1.71 0.00 0.00 66.02 62.41 1mvz s SER 37 CO 0.61 0.07 0.52 0.00 1.20 0.00 0.00 173.24 175.65 1mvz s LEU 39 N -0.38 1.07 0.17 0.00 2.96 -0.37 -4.88 118.68 117.25 1mvz s LEU 39 Ca -0.05 0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 1mvz s LEU 39 Cb -0.03 0.87 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 1mvz s LEU 39 CO 0.04 -0.13 -0.06 0.00 -1.32 0.00 0.00 176.35 174.87 1mvz s THR 41 N -1.65 4.93 -1.12 0.00 -1.32 -0.62 -4.99 115.64 110.86 1mvz s THR 41 Ca 0.25 0.29 0.09 0.00 -1.21 0.00 0.00 61.69 61.11 1mvz s THR 41 Cb -0.09 -3.73 0.39 0.00 -1.51 0.00 0.00 72.50 67.55 1mvz s THR 41 CO 0.16 -0.41 1.19 -2.11 -2.21 0.00 0.00 174.62 171.24 1mvz n ARG 42 N -1.10 2.59 -1.55 7.08 1.85 -1.26 -4.36 116.66 119.91 1mvz n ARG 42 Ca -0.00 -1.52 -0.30 0.00 -1.00 0.00 0.00 57.85 55.03 1mvz n ARG 42 Cb 0.54 -1.67 0.22 0.00 -1.05 0.00 0.00 32.46 30.49 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1mvz s SER 43 N -0.62 2.03 -0.17 2.89 0.01 -1.26 -4.96 113.70 111.62 1mvz s SER 43 Ca 0.27 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1mvz s SER 43 Cb 0.18 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.96 1mvz s SER 43 CO 0.11 -3.42 -0.08 0.12 0.41 0.00 0.00 173.24 170.39 1mvz s PHE 44 N -3.51 2.00 0.41 2.43 5.36 -1.26 -2.29 117.98 121.12 1mvz s PHE 44 Ca 0.73 -1.27 -0.23 0.00 -0.96 0.00 0.00 56.93 55.20 1mvz s PHE 44 Cb -0.06 -1.46 -0.09 0.00 -0.34 0.00 0.00 43.02 41.07 1mvz s PHE 44 CO 0.54 -0.66 1.05 -1.25 -1.46 0.00 0.00 175.22 173.44 1mvz s PRO 45 N 1.53 4.10 -0.15 10.12 0.04 -1.26 -5.11 135.00 144.27 1mvz s PRO 45 Ca 0.01 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 1mvz s PRO 45 Cb -0.15 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1mvz s PRO 45 CO -0.08 -0.20 1.18 -1.25 0.04 0.00 0.00 177.00 176.69 1mvz s PRO 46 N -2.61 4.28 0.23 0.56 0.04 -0.97 -5.02 135.00 131.50 1mvz s PRO 46 Ca 0.59 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1mvz s PRO 46 Cb -0.21 -3.68 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1mvz s PRO 46 CO 0.27 -0.60 -0.21 -0.65 0.04 0.00 0.00 177.00 175.84 1mvz s GLN 47 N 3.05 1.55 -0.04 4.56 -1.52 -1.26 -4.94 119.66 121.05 1mvz s GLN 47 Ca 0.52 -1.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 1mvz s GLN 47 Cb -0.21 -1.73 -0.03 0.00 -0.22 0.00 0.00 33.01 30.82 1mvz s GLN 47 CO 0.14 0.35 -0.01 0.00 -0.25 0.00 0.00 175.29 175.52 1mvz s ARG 49 N -1.22 1.91 0.18 0.00 0.52 -0.12 -1.62 118.95 118.59 1mvz s ARG 49 Ca 0.16 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 1mvz s ARG 49 Cb -0.11 -1.57 -0.08 0.00 0.52 0.00 0.00 34.95 33.71 1mvz s ARG 49 CO 0.06 0.11 1.07 0.00 0.02 0.00 0.00 175.30 176.57 1mvz n TYR 51 N 2.32 0.13 -2.74 0.00 9.36 -0.17 -4.60 117.16 121.46 1mvz n TYR 51 Ca 0.02 -0.76 -0.32 0.00 3.32 0.00 0.00 57.90 60.16 1mvz n TYR 51 Cb 0.47 -0.12 -0.05 0.00 -0.63 0.00 0.00 39.34 39.01 1mvz n TYR 51 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1mvz s ASP 52 N -1.93 6.74 -0.10 2.98 2.15 -0.86 -4.77 116.67 120.88 1mvz s ASP 52 Ca 0.20 1.49 0.03 0.00 0.43 0.00 0.00 52.55 54.70 1mvz s ASP 52 Cb 0.17 -2.47 -0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1mvz s ASP 52 CO 0.04 -0.42 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.81 1mvz s ILE 53 N -2.33 2.65 0.36 4.11 -1.09 -1.26 -4.29 121.20 119.35 1mvz s ILE 53 Ca 0.58 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1mvz s ILE 53 Cb -0.10 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 1mvz s ILE 53 CO 0.23 0.55 0.19 0.42 -1.23 0.00 0.00 174.94 175.10 1mvz s THR 54 N 0.07 0.31 -0.34 2.92 -4.23 -0.69 -5.02 115.64 108.66 1mvz s THR 54 Ca -0.08 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.67 1mvz s THR 54 Cb -0.15 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.58 1mvz s THR 54 CO 0.05 0.00 1.64 -0.78 -0.54 0.00 0.00 174.62 175.00 1mvz h ASP 55 N 2.00 0.00 -1.81 3.99 1.82 -1.86 0.85 116.42 121.41 1mvz h ASP 55 Ca -0.31 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 55.73 1mvz h ASP 55 Cb 1.25 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.13 1mvz h ASP 55 CO 0.48 0.05 -0.56 0.72 -1.61 0.00 0.00 179.24 178.32 1mvz s PHE 56 N -3.25 2.05 0.21 0.28 -0.12 -1.26 -4.16 117.98 111.73 1mvz s PHE 56 Ca 0.06 -0.94 0.07 0.00 -0.05 0.00 0.00 56.93 56.07 1mvz s PHE 56 Cb 0.06 -1.51 -0.04 0.00 -0.63 0.00 0.00 43.02 40.90 1mvz s PHE 56 CO 0.66 0.15 0.11 0.00 -0.05 0.00 0.00 175.22 176.09 1mvz s TYR 58 N -1.94 3.46 1.13 0.00 2.02 -1.26 -5.12 117.35 115.64 1mvz s TYR 58 Ca 0.31 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.90 1mvz s TYR 58 Cb -0.09 -1.62 0.25 0.00 -0.40 0.00 0.00 41.96 40.10 1mvz s TYR 58 CO 0.23 0.49 1.09 -1.25 -1.57 0.00 0.00 175.55 174.54 1mvz s PRO 59 N -3.52 -0.65 0.49 -1.71 0.04 -1.26 -4.46 135.00 123.93 1mvz s PRO 59 Ca 0.34 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 61.34 1mvz s PRO 59 Cb -0.10 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1mvz s PRO 59 CO 0.28 -3.39 1.33 -1.54 0.04 0.00 0.00 177.00 173.73 1mvz s SER 60 N -3.64 5.71 0.50 6.66 1.04 -1.25 -1.19 113.70 121.53 1mvz s SER 60 Ca 0.69 2.69 0.03 0.00 0.48 0.00 0.00 55.95 59.84 1mvz s SER 60 Cb -0.14 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.38 1mvz s SER 60 CO 0.57 -1.27 0.25 0.00 0.98 0.00 0.00 173.24 173.78