#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 2.84 -0.17 -0.78 1.02 -1.26 -4.91 119.74 116.48 1mvz s LYS 2 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 55.97 55.74 1mvz s LYS 2 Cb 0.00 -4.63 0.06 0.00 -0.52 0.00 0.00 37.83 32.74 1mvz s LYS 2 CO 0.00 -2.71 0.64 0.45 -0.92 0.00 0.00 175.35 172.81 1mvz s SER 3 N 6.82 -0.65 -0.23 2.83 0.15 -1.26 -5.18 113.70 116.19 1mvz s SER 3 Ca 0.59 1.05 -0.27 0.00 0.70 0.00 0.00 55.95 58.02 1mvz s SER 3 Cb -0.09 1.02 0.10 0.00 -1.71 0.00 0.00 66.02 65.35 1mvz s SER 3 CO 0.10 -0.37 0.91 0.28 1.20 0.00 0.00 173.24 175.37 1mvz s THR 4 N -0.26 0.00 -0.28 6.45 -1.32 -1.26 -5.07 115.64 113.90 1mvz s THR 4 Ca -0.04 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1mvz s THR 4 Cb -0.03 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.24 1mvz s THR 4 CO 0.04 0.00 1.24 1.07 -2.21 0.00 0.00 174.62 174.76 1mvz n THR 5 N 1.89 0.00 -2.28 5.08 5.66 -1.26 -5.09 114.28 118.28 1mvz n THR 5 Ca -0.13 -0.87 -0.36 0.00 -3.05 0.00 0.00 64.05 59.64 1mvz n THR 5 Cb 0.56 0.85 -0.00 0.00 -1.55 0.00 0.00 70.33 70.19 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 0.11 3.18 -0.31 1.09 -4.23 -1.26 -4.75 115.64 109.48 1mvz s THR 6 Ca 0.09 0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1mvz s THR 6 Cb 0.30 -3.34 0.12 0.00 1.34 0.00 0.00 72.50 70.92 1mvz s THR 6 CO -0.08 -0.11 0.23 0.00 -0.54 0.00 0.00 174.62 174.11 1mvz s ALA 7 N -1.71 0.14 0.24 3.99 0.00 -1.26 -1.17 121.76 122.00 1mvz s ALA 7 Ca 0.70 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1mvz s ALA 7 Cb -0.25 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 1mvz s ALA 7 CO 0.29 -1.78 0.14 0.00 0.00 0.00 0.00 175.76 174.40 1mvz n ASP 10 N -0.41 0.51 -4.60 0.00 2.03 -1.26 -0.87 116.55 111.95 1mvz n ASP 10 Ca -0.07 0.07 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1mvz n ASP 10 Cb 0.61 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.48 2.84 -0.70 -0.67 0.08 -1.26 -4.84 117.98 111.95 1mvz s PHE 11 Ca -0.03 0.72 0.05 0.00 0.12 0.00 0.00 56.93 57.78 1mvz s PHE 11 Cb 0.00 -4.37 0.26 0.00 -0.57 0.00 0.00 43.02 38.34 1mvz s PHE 11 CO 0.05 -1.23 0.85 0.00 -0.10 0.00 0.00 175.22 174.79 1mvz s PRO 13 N -2.56 2.76 0.09 0.00 0.04 -1.21 -4.88 135.00 129.24 1mvz s PRO 13 Ca 0.39 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 1mvz s PRO 13 Cb 0.14 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1mvz s PRO 13 CO 0.00 -1.16 0.43 0.00 0.04 0.00 0.00 177.00 176.31 1mvz s THR 15 N -3.18 4.97 -0.58 0.00 -4.23 -0.50 -4.98 115.64 107.13 1mvz s THR 15 Ca -0.01 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1mvz s THR 15 Cb 0.00 -3.79 0.43 0.00 1.34 0.00 0.00 72.50 70.49 1mvz s THR 15 CO -0.08 -0.53 1.74 0.54 -0.54 0.00 0.00 174.62 175.75 1mvz n ARG 16 N -1.49 3.00 -2.85 3.99 1.74 -1.26 -4.22 116.66 115.57 1mvz n ARG 16 Ca -0.01 -3.66 -0.22 0.00 -0.77 0.00 0.00 57.85 53.19 1mvz n ARG 16 Cb 0.55 -2.28 0.09 0.00 -1.02 0.00 0.00 32.46 29.80 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1mvz s SER 17 N -2.31 4.65 -0.29 0.55 1.04 -1.26 -4.99 113.70 111.09 1mvz s SER 17 Ca 0.58 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 1mvz s SER 17 Cb 0.46 0.34 0.09 0.00 0.10 0.00 0.00 66.02 67.02 1mvz s SER 17 CO -0.08 -1.68 0.08 -0.51 0.98 0.00 0.00 173.24 172.03 1mvz s ILE 18 N -2.92 0.91 0.68 -1.02 -1.16 -1.26 -1.94 121.20 114.48 1mvz s ILE 18 Ca 0.65 -1.32 -0.13 0.00 -0.51 0.00 0.00 60.65 59.34 1mvz s ILE 18 Cb -0.05 -1.63 0.01 0.00 0.61 0.00 0.00 42.46 41.40 1mvz s ILE 18 CO 0.42 -0.59 1.08 -2.16 -2.81 0.00 0.00 174.94 170.88 1mvz s PRO 19 N 1.61 2.83 0.32 3.50 0.04 -1.26 -5.13 135.00 136.91 1mvz s PRO 19 Ca 0.08 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1mvz s PRO 19 Cb -0.17 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1mvz s PRO 19 CO -0.22 -1.20 1.08 -1.25 0.04 0.00 0.00 177.00 175.45 1mvz s PRO 20 N -4.44 4.49 -0.38 0.56 0.04 -0.82 -5.01 135.00 129.44 1mvz s PRO 20 Ca 0.63 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 1mvz s PRO 20 Cb -0.17 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.42 1mvz s PRO 20 CO 0.46 0.10 0.21 -0.65 0.04 0.00 0.00 177.00 177.16 1mvz s GLN 21 N -1.78 2.79 0.05 4.56 1.11 -1.26 -4.58 119.66 120.55 1mvz s GLN 21 Ca 0.49 -1.12 0.03 0.00 0.01 0.00 0.00 55.36 54.76 1mvz s GLN 21 Cb -0.29 -3.73 -0.04 0.00 -1.01 0.00 0.00 33.01 27.94 1mvz s GLN 21 CO 0.37 -0.73 0.03 0.00 0.01 0.00 0.00 175.29 174.97 1mvz s GLN 23 N -2.07 1.22 -0.17 0.00 -2.07 -0.81 -1.18 119.66 114.58 1mvz s GLN 23 Ca 0.25 -0.86 -0.05 0.00 -1.82 0.00 0.00 55.36 52.88 1mvz s GLN 23 Cb -0.12 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 1mvz s GLN 23 CO 0.17 -0.49 -0.01 0.00 -1.32 0.00 0.00 175.29 173.64 1mvz n THR 25 N 3.73 0.61 -2.12 0.00 -2.24 -0.64 -4.35 114.28 109.26 1mvz n THR 25 Ca -0.17 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.48 1mvz n THR 25 Cb 0.52 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.61 6.33 -0.19 3.42 2.15 -1.25 -4.90 116.67 121.62 1mvz s ASP 26 Ca 0.00 2.56 -0.05 0.00 0.43 0.00 0.00 52.55 55.49 1mvz s ASP 26 Cb 0.00 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1mvz s ASP 26 CO 0.00 -0.83 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.47 1mvz s VAL 27 N -1.31 3.93 0.00 1.11 1.01 -1.26 -4.15 120.40 119.72 1mvz s VAL 27 Ca 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1mvz s VAL 27 Cb -0.36 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1mvz s VAL 27 CO 0.45 0.45 0.00 -1.14 0.00 0.00 0.00 175.10 174.86 1mvz n ARG 28 N 4.01 0.00 0.00 2.72 0.00 -0.16 -4.98 116.66 118.26 1mvz n ARG 28 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1mvz n ARG 28 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 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 2.13 -1.58 -0.14 2.13 -1.26 -0.67 120.64 121.25 1mvz n GLU 29 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1mvz n GLU 29 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 1mvz n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1mvz n LYS 30 N 0.00 0.88 -2.38 5.31 5.02 -1.26 -4.27 118.16 121.45 1mvz n LYS 30 Ca 0.00 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.29 1mvz n LYS 30 Cb 0.00 -2.43 -0.02 0.00 -0.02 0.00 0.00 35.03 32.56 1mvz n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mvz s HIS 32 N -1.78 2.38 0.46 0.00 -3.43 -1.26 -4.94 115.29 106.72 1mvz s HIS 32 Ca 0.68 0.81 0.12 0.00 -0.80 0.00 0.00 55.06 55.87 1mvz s HIS 32 Cb -0.22 -3.43 1.06 0.00 -1.43 0.00 0.00 32.58 28.55 1mvz s HIS 32 CO 0.26 -2.44 2.09 1.03 -2.00 0.00 0.00 174.74 173.68 1mvz h SER 33 N -1.55 0.21 -0.84 7.38 0.87 -1.44 -2.53 113.55 115.65 1mvz h SER 33 Ca -0.50 -0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 59.51 1mvz h SER 33 Cb 1.33 -0.05 -0.29 0.00 -0.44 0.00 0.00 62.40 62.94 1mvz h SER 33 CO 0.60 0.18 0.32 0.00 -0.53 0.00 0.00 176.83 177.39 1mvz n ALA 34 N -2.51 5.61 -2.70 6.23 0.00 -1.26 -4.92 120.51 120.95 1mvz n ALA 34 Ca -0.00 -3.39 -0.33 0.00 0.00 0.00 0.00 53.44 49.72 1mvz n ALA 34 Cb 0.10 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 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 2.77 0.40 -4.22 0.00 4.81 -1.26 -4.91 118.16 115.74 1mvz n LYS 36 Ca -0.18 0.17 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 1mvz n LYS 36 Cb 0.52 -1.18 -0.09 0.00 0.02 0.00 0.00 35.03 34.30 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 -6.36 5.46 -0.13 3.14 0.15 -1.26 -5.00 113.70 109.69 1mvz s SER 37 Ca -0.24 0.16 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 1mvz s SER 37 Cb 0.07 -1.69 0.05 0.00 -1.71 0.00 0.00 66.02 62.73 1mvz s SER 37 CO 0.33 0.32 0.51 0.00 1.20 0.00 0.00 173.24 175.60 1mvz s LEU 39 N -0.30 0.47 0.22 0.00 2.96 -0.38 -4.91 118.68 116.74 1mvz s LEU 39 Ca -0.05 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1mvz s LEU 39 Cb -0.03 1.63 -0.05 0.00 0.50 0.00 0.00 46.19 48.23 1mvz s LEU 39 CO 0.03 -0.55 -0.04 0.00 -1.32 0.00 0.00 176.35 174.47 1mvz s THR 41 N -3.32 4.76 -1.57 0.00 -4.23 -0.06 -4.96 115.64 106.26 1mvz s THR 41 Ca 0.26 0.67 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 1mvz s THR 41 Cb 0.04 -3.79 0.48 0.00 1.34 0.00 0.00 72.50 70.57 1mvz s THR 41 CO 0.07 -0.75 1.36 -2.11 -0.54 0.00 0.00 174.62 172.66 1mvz n ARG 42 N -1.86 2.59 -1.71 3.99 1.85 -1.26 -4.27 116.66 115.99 1mvz n ARG 42 Ca 0.03 -1.90 -0.30 0.00 -1.00 0.00 0.00 57.85 54.68 1mvz n ARG 42 Cb 0.54 -1.57 0.22 0.00 -1.05 0.00 0.00 32.46 30.60 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 0.82 -0.48 -3.81 2.89 3.41 -1.26 -4.94 113.62 110.25 1mvz n SER 43 Ca 0.17 -1.41 -0.29 0.00 -0.26 0.00 0.00 58.87 57.08 1mvz n SER 43 Cb 0.56 -1.03 -0.16 0.00 -0.26 0.00 0.00 64.21 63.32 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 -3.71 1.79 0.59 7.33 5.36 -1.26 -2.06 117.98 126.02 1mvz s PHE 44 Ca 0.76 -1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 55.05 1mvz s PHE 44 Cb -0.03 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 1mvz s PHE 44 CO 0.54 -0.76 1.09 -1.25 -1.46 0.00 0.00 175.22 173.39 1mvz s PRO 45 N 1.59 3.23 0.58 10.12 0.04 -1.26 -5.15 135.00 144.15 1mvz s PRO 45 Ca 0.01 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 1mvz s PRO 45 Cb -0.18 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1mvz s PRO 45 CO -0.12 -0.91 1.06 -1.25 0.04 0.00 0.00 177.00 175.82 1mvz s PRO 46 N -3.74 3.39 -0.12 0.56 0.04 -0.87 -4.99 135.00 129.26 1mvz s PRO 46 Ca 0.68 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 1mvz s PRO 46 Cb -0.20 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1mvz s PRO 46 CO 0.33 -0.76 0.31 -1.14 0.04 0.00 0.00 177.00 175.78 1mvz s GLN 47 N -3.92 0.33 0.21 4.56 2.00 -1.26 -4.96 119.66 116.62 1mvz s GLN 47 Ca 0.64 0.52 0.07 0.00 -2.00 0.00 0.00 55.36 54.59 1mvz s GLN 47 Cb -0.16 0.07 -0.04 0.00 0.80 0.00 0.00 33.01 33.68 1mvz s GLN 47 CO 0.34 -0.09 0.12 0.00 -0.50 0.00 0.00 175.29 175.16 1mvz s ARG 49 N -3.43 0.92 0.30 0.00 3.52 0.07 -0.99 118.95 119.34 1mvz s ARG 49 Ca 0.31 -0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.61 1mvz s ARG 49 Cb -0.09 0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 33.65 1mvz s ARG 49 CO 0.23 -0.31 0.63 0.00 -0.81 0.00 0.00 175.30 175.04 1mvz n TYR 51 N -0.66 0.00 -2.06 0.00 9.36 0.06 -4.61 117.16 119.24 1mvz n TYR 51 Ca 0.01 -0.58 -0.42 0.00 3.32 0.00 0.00 57.90 60.23 1mvz n TYR 51 Cb 0.53 -0.12 -0.03 0.00 -0.63 0.00 0.00 39.34 39.10 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 -2.04 6.71 -0.22 2.98 2.15 -1.11 -4.62 116.67 120.52 1mvz s ASP 52 Ca 0.19 2.31 -0.06 0.00 0.43 0.00 0.00 52.55 55.42 1mvz s ASP 52 Cb 0.18 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1mvz s ASP 52 CO -0.01 -0.82 0.03 -0.63 -0.17 0.00 0.00 175.17 173.57 1mvz s ILE 53 N 2.63 4.05 0.34 4.11 -1.09 -1.26 -3.89 121.20 126.09 1mvz s ILE 53 Ca 0.69 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.92 1mvz s ILE 53 Cb -0.36 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1mvz s ILE 53 CO 0.29 0.39 0.27 0.42 -1.23 0.00 0.00 174.94 175.09 1mvz s THR 54 N 1.32 0.03 -1.04 2.92 -4.23 -0.33 -4.99 115.64 109.34 1mvz s THR 54 Ca 0.04 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.82 1mvz s THR 54 Cb -0.15 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.45 1mvz s THR 54 CO 0.02 0.00 1.87 -0.67 -0.54 0.00 0.00 174.62 175.30 1mvz n ASP 55 N -1.57 0.00 -1.15 3.99 -0.08 -1.26 -0.70 116.55 115.78 1mvz n ASP 55 Ca 0.07 0.45 -0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1mvz n ASP 55 Cb 0.62 -0.48 -0.00 0.00 2.34 0.00 0.00 41.12 43.60 1mvz n ASP 55 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1mvz n PHE 56 N -1.48 -0.01 -3.63 -0.67 1.16 -1.26 -4.63 117.46 106.93 1mvz n PHE 56 Ca 0.07 -0.06 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 1mvz n PHE 56 Cb 0.31 0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.12 1mvz n PHE 56 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mvz s TYR 58 N -2.05 3.29 1.09 0.00 2.02 -1.26 -5.05 117.35 115.38 1mvz s TYR 58 Ca -0.08 1.56 -0.15 0.00 -0.37 0.00 0.00 57.07 58.03 1mvz s TYR 58 Cb -0.01 -2.87 0.23 0.00 -0.40 0.00 0.00 41.96 38.90 1mvz s TYR 58 CO 0.01 -0.35 1.11 -1.25 -1.57 0.00 0.00 175.55 173.49 1mvz s PRO 59 N -3.50 -0.32 0.26 -1.71 0.04 -1.26 -4.17 135.00 124.34 1mvz s PRO 59 Ca 0.62 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.57 1mvz s PRO 59 Cb -0.11 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 1mvz s PRO 59 CO 0.21 -3.17 1.62 -1.13 0.04 0.00 0.00 177.00 174.57 1mvz n SER 60 N -4.43 3.81 -4.51 6.66 3.41 -1.25 -2.62 113.62 114.69 1mvz n SER 60 Ca 0.09 1.12 -0.26 0.00 -0.26 0.00 0.00 58.87 59.55 1mvz n SER 60 Cb 0.58 -1.57 0.13 0.00 -0.26 0.00 0.00 64.21 63.09 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88