#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 1.11 0.03 -0.78 2.20 -1.26 -5.19 119.74 115.85 1mvz s LYS 2 Ca 0.00 0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.54 1mvz s LYS 2 Cb 0.00 0.52 0.03 0.00 -1.51 0.00 0.00 37.83 36.87 1mvz s LYS 2 CO 0.00 -0.38 0.36 -1.12 -0.36 0.00 0.00 175.35 173.85 1mvz s SER 3 N -1.55 -0.21 0.17 1.43 0.01 -1.26 -5.19 113.70 107.10 1mvz s SER 3 Ca -0.08 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 1mvz s SER 3 Cb -0.00 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.66 1mvz s SER 3 CO 0.05 -0.60 0.77 0.28 0.41 0.00 0.00 173.24 174.15 1mvz s THR 4 N -2.23 0.00 -1.26 1.44 -1.32 -1.26 -5.08 115.64 105.94 1mvz s THR 4 Ca -0.07 -0.46 -0.19 0.00 -1.21 0.00 0.00 61.69 59.76 1mvz s THR 4 Cb -0.02 -1.53 0.04 0.00 -1.51 0.00 0.00 72.50 69.49 1mvz s THR 4 CO -0.01 0.00 1.75 0.28 -2.21 0.00 0.00 174.62 174.43 1mvz s THR 5 N -3.59 4.01 0.68 5.08 -1.32 -1.26 -4.99 115.64 114.26 1mvz s THR 5 Ca 0.07 -1.67 -0.17 0.00 -1.21 0.00 0.00 61.69 58.71 1mvz s THR 5 Cb -0.03 -5.08 0.00 0.00 -1.51 0.00 0.00 72.50 65.88 1mvz s THR 5 CO -0.03 -1.85 1.19 0.35 -2.21 0.00 0.00 174.62 172.07 1mvz n THR 6 N 6.66 4.06 -1.71 5.08 -2.24 -1.26 -4.69 114.28 120.18 1mvz n THR 6 Ca 0.47 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1mvz n THR 6 Cb 0.46 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 1mvz n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mvz s ALA 7 N -1.58 3.43 0.15 6.98 0.00 -1.26 -4.87 121.76 124.61 1mvz s ALA 7 Ca 0.79 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.93 1mvz s ALA 7 Cb -0.37 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 1mvz s ALA 7 CO 0.44 -1.78 -0.02 0.00 0.00 0.00 0.00 175.76 174.40 1mvz n ASP 10 N 1.74 0.00 -4.59 0.00 8.00 -1.26 -3.43 116.55 117.01 1mvz n ASP 10 Ca -0.11 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 1mvz n ASP 10 Cb 0.57 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1mvz s PHE 11 N -0.70 2.47 -0.45 1.24 0.08 -1.26 -4.91 117.98 114.45 1mvz s PHE 11 Ca 0.00 0.59 0.09 0.00 0.12 0.00 0.00 56.93 57.73 1mvz s PHE 11 Cb 0.00 -4.39 0.32 0.00 -0.57 0.00 0.00 43.02 38.38 1mvz s PHE 11 CO 0.00 -1.78 0.75 0.00 -0.10 0.00 0.00 175.22 174.09 1mvz s PRO 13 N -2.49 2.05 0.10 0.00 0.04 -1.12 -4.68 135.00 128.91 1mvz s PRO 13 Ca 0.41 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1mvz s PRO 13 Cb 0.28 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 1mvz s PRO 13 CO -0.09 -1.81 -0.12 0.00 0.04 0.00 0.00 177.00 175.01 1mvz s THR 15 N -2.09 3.67 -0.29 0.00 -4.23 -0.13 -4.99 115.64 107.58 1mvz s THR 15 Ca 0.05 0.35 0.11 0.00 -1.18 0.00 0.00 61.69 61.02 1mvz s THR 15 Cb -0.05 -3.51 0.61 0.00 1.34 0.00 0.00 72.50 70.89 1mvz s THR 15 CO 0.02 -0.62 1.62 0.54 -0.54 0.00 0.00 174.62 175.64 1mvz n ARG 16 N -2.83 2.77 -1.99 3.99 1.74 -1.26 -4.37 116.66 114.71 1mvz n ARG 16 Ca 0.06 -3.05 -0.28 0.00 -0.77 0.00 0.00 57.85 53.81 1mvz n ARG 16 Cb 0.57 -2.00 0.19 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.66 0.30 -3.89 0.55 3.41 -1.26 -4.94 113.62 107.11 1mvz n SER 17 Ca 0.36 -1.58 -0.30 0.00 -0.26 0.00 0.00 58.87 57.09 1mvz n SER 17 Cb 1.20 -0.95 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 1mvz n SER 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1mvz s ILE 18 N -3.75 1.43 0.72 -1.33 -1.16 -1.26 -1.90 121.20 113.95 1mvz s ILE 18 Ca 0.73 -1.38 -0.11 0.00 -0.51 0.00 0.00 60.65 59.38 1mvz s ILE 18 Cb -0.02 -1.84 0.03 0.00 0.61 0.00 0.00 42.46 41.23 1mvz s ILE 18 CO 0.51 -0.31 1.08 -2.16 -2.81 0.00 0.00 174.94 171.25 1mvz s PRO 19 N 1.40 2.65 0.24 3.50 0.04 -1.26 -5.11 135.00 136.45 1mvz s PRO 19 Ca 0.00 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1mvz s PRO 19 Cb -0.18 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 19 CO -0.11 -1.34 1.10 -1.25 0.04 0.00 0.00 177.00 175.44 1mvz s PRO 20 N -4.85 4.63 -0.13 0.56 0.04 -0.80 -4.99 135.00 129.47 1mvz s PRO 20 Ca 0.60 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 1mvz s PRO 20 Cb -0.16 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1mvz s PRO 20 CO 0.53 0.17 0.01 -0.65 0.04 0.00 0.00 177.00 177.10 1mvz s GLN 21 N -0.98 3.40 -0.02 4.56 1.11 -1.26 -4.73 119.66 121.73 1mvz s GLN 21 Ca 0.46 -0.41 0.00 0.00 0.01 0.00 0.00 55.36 55.43 1mvz s GLN 21 Cb -0.31 -2.93 -0.04 0.00 -1.01 0.00 0.00 33.01 28.73 1mvz s GLN 21 CO 0.38 0.49 0.01 0.00 0.01 0.00 0.00 175.29 176.19 1mvz s GLN 23 N -1.40 0.80 -0.11 0.00 -0.21 -0.62 -0.64 119.66 117.47 1mvz s GLN 23 Ca 0.18 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 1mvz s GLN 23 Cb -0.12 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 1mvz s GLN 23 CO 0.09 -0.24 0.01 0.00 -2.12 0.00 0.00 175.29 173.03 1mvz n THR 25 N 2.48 0.00 -1.98 0.00 -2.24 -0.60 -4.53 114.28 107.41 1mvz n THR 25 Ca -0.18 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 1mvz n THR 25 Cb 0.53 0.85 0.04 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.25 5.15 -0.21 3.42 3.68 -1.24 -4.98 116.67 121.24 1mvz s ASP 26 Ca 0.00 2.37 0.00 0.00 2.13 0.00 0.00 52.55 57.05 1mvz s ASP 26 Cb 0.00 -2.60 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 1mvz s ASP 26 CO 0.00 -1.62 -0.14 -0.69 0.13 0.00 0.00 175.17 172.85 1mvz s VAL 27 N -1.64 2.40 0.00 1.11 1.01 -1.26 -4.36 120.40 117.65 1mvz s VAL 27 Ca 0.77 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1mvz s VAL 27 Cb -0.30 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1mvz s VAL 27 CO 0.34 0.41 0.00 0.54 0.00 0.00 0.00 175.10 176.38 1mvz n ARG 28 N 4.63 0.00 0.00 2.72 5.12 -0.40 -4.96 116.66 123.77 1mvz n ARG 28 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1mvz n ARG 28 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1mvz n GLU 29 N 0.00 1.11 -1.72 5.56 4.07 -1.26 -1.91 120.64 126.48 1mvz n GLU 29 Ca 0.00 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.74 1mvz n GLU 29 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 1mvz n GLU 29 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1mvz s LYS 30 N 0.00 2.53 0.32 5.31 -0.14 -1.26 -4.45 119.74 122.05 1mvz s LYS 30 Ca 0.00 2.01 -0.11 0.00 -1.36 0.00 0.00 55.97 56.50 1mvz s LYS 30 Cb 0.00 -1.85 -0.07 0.00 -1.68 0.00 0.00 37.83 34.23 1mvz s LYS 30 CO 0.00 -1.60 0.68 0.00 -0.76 0.00 0.00 175.35 173.67 1mvz s HIS 32 N -2.06 2.44 0.35 0.00 -3.43 -1.26 -4.87 115.29 106.45 1mvz s HIS 32 Ca 0.51 1.00 0.11 0.00 -0.80 0.00 0.00 55.06 55.87 1mvz s HIS 32 Cb -0.10 -3.27 0.88 0.00 -1.43 0.00 0.00 32.58 28.65 1mvz s HIS 32 CO 0.23 -2.40 1.80 1.03 -2.00 0.00 0.00 174.74 173.40 1mvz h SER 33 N -1.54 0.64 -0.80 7.38 0.87 -1.89 -0.97 113.55 117.25 1mvz h SER 33 Ca -0.51 0.08 -0.43 0.00 -1.23 0.00 0.00 61.79 59.69 1mvz h SER 33 Cb 1.31 -0.04 -0.25 0.00 -0.44 0.00 0.00 62.40 62.98 1mvz h SER 33 CO 0.59 0.23 0.41 0.00 -0.53 0.00 0.00 176.83 177.53 1mvz n ALA 34 N -2.40 5.28 -2.86 6.23 0.00 -1.26 -4.92 120.51 120.58 1mvz n ALA 34 Ca 0.22 -3.07 -0.35 0.00 0.00 0.00 0.00 53.44 50.25 1mvz n ALA 34 Cb 0.64 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 3.80 0.37 -4.11 0.00 5.02 -1.26 -4.88 118.16 117.10 1mvz n LYS 36 Ca -0.16 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1mvz n LYS 36 Cb 0.52 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mvz s SER 37 N -6.21 5.45 -0.10 4.39 0.15 -1.26 -5.00 113.70 111.11 1mvz s SER 37 Ca -0.23 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 1mvz s SER 37 Cb 0.08 -1.89 0.05 0.00 -1.71 0.00 0.00 66.02 62.55 1mvz s SER 37 CO 0.32 0.20 0.51 0.00 1.20 0.00 0.00 173.24 175.47 1mvz s LEU 39 N -0.60 0.97 0.18 0.00 0.20 -0.59 -4.89 118.68 113.95 1mvz s LEU 39 Ca -0.07 0.02 0.07 0.00 0.69 0.00 0.00 54.13 54.84 1mvz s LEU 39 Cb -0.03 1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 46.86 1mvz s LEU 39 CO 0.04 -0.44 -0.14 0.00 -0.29 0.00 0.00 176.35 175.52 1mvz s THR 41 N -2.90 4.63 -0.38 0.00 -4.23 -0.21 -4.97 115.64 107.58 1mvz s THR 41 Ca 0.20 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.76 1mvz s THR 41 Cb -0.01 -3.75 0.49 0.00 1.34 0.00 0.00 72.50 70.57 1mvz s THR 41 CO 0.05 -0.73 1.51 -2.11 -0.54 0.00 0.00 174.62 172.80 1mvz n ARG 42 N -1.73 2.57 -2.36 3.99 1.85 -1.26 -4.33 116.66 115.38 1mvz n ARG 42 Ca 0.05 -2.07 -0.26 0.00 -1.00 0.00 0.00 57.85 54.57 1mvz n ARG 42 Cb 0.54 -1.89 0.14 0.00 -1.05 0.00 0.00 32.46 30.21 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 -0.54 3.79 -0.27 2.89 0.01 -1.26 -4.98 113.70 113.35 1mvz s SER 43 Ca 0.38 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 1mvz s SER 43 Cb 0.31 -0.00 0.08 0.00 0.21 0.00 0.00 66.02 66.61 1mvz s SER 43 CO 0.09 -2.25 0.03 0.72 0.41 0.00 0.00 173.24 172.24 1mvz s PHE 44 N -3.44 2.02 0.63 2.43 -0.71 -1.26 -1.96 117.98 115.69 1mvz s PHE 44 Ca 0.70 -1.71 -0.15 0.00 -1.04 0.00 0.00 56.93 54.73 1mvz s PHE 44 Cb -0.04 -1.67 -0.02 0.00 -1.21 0.00 0.00 43.02 40.08 1mvz s PHE 44 CO 0.48 -0.80 1.08 -1.25 -1.34 0.00 0.00 175.22 173.39 1mvz s PRO 45 N 1.52 3.07 0.05 1.99 0.04 -1.26 -5.12 135.00 135.29 1mvz s PRO 45 Ca 0.03 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1mvz s PRO 45 Cb -0.18 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 45 CO -0.14 -1.02 1.13 -1.25 0.04 0.00 0.00 177.00 175.76 1mvz s PRO 46 N -4.18 4.48 -0.04 0.56 0.04 -0.83 -5.00 135.00 130.02 1mvz s PRO 46 Ca 0.64 1.67 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1mvz s PRO 46 Cb -0.17 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1mvz s PRO 46 CO 0.41 -0.18 -0.23 -0.65 0.04 0.00 0.00 177.00 176.39 1mvz s GLN 47 N 0.94 2.22 0.20 4.56 -1.52 -1.26 -4.92 119.66 119.88 1mvz s GLN 47 Ca 0.56 -0.83 0.07 0.00 -1.95 0.00 0.00 55.36 53.21 1mvz s GLN 47 Cb -0.27 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.52 1mvz s GLN 47 CO 0.29 0.39 0.07 0.00 -0.25 0.00 0.00 175.29 175.80 1mvz s ARG 49 N -3.26 0.63 -0.25 0.00 3.00 -0.40 -1.27 118.95 117.41 1mvz s ARG 49 Ca 0.30 0.39 -0.18 0.00 -1.00 0.00 0.00 55.73 55.24 1mvz s ARG 49 Cb -0.09 0.30 -0.03 0.00 0.00 0.00 0.00 34.95 35.13 1mvz s ARG 49 CO 0.21 -0.12 0.50 0.00 0.00 0.00 0.00 175.30 175.89 1mvz n TYR 51 N 5.32 1.42 -1.84 0.00 4.19 0.69 -4.07 117.16 122.85 1mvz n TYR 51 Ca -0.05 -0.90 -0.36 0.00 3.31 0.00 0.00 57.90 59.90 1mvz n TYR 51 Cb 0.50 -0.42 0.05 0.00 0.49 0.00 0.00 39.34 39.97 1mvz n TYR 51 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1mvz s ASP 52 N -1.56 4.84 -0.20 2.98 2.15 -0.76 -4.66 116.67 119.46 1mvz s ASP 52 Ca 0.47 2.50 -0.07 0.00 0.43 0.00 0.00 52.55 55.88 1mvz s ASP 52 Cb 0.38 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.36 1mvz s ASP 52 CO 0.11 -1.84 0.04 -0.63 -0.17 0.00 0.00 175.17 172.68 1mvz s ILE 53 N -1.53 4.42 0.00 4.11 -1.09 -1.26 -4.23 121.20 121.61 1mvz s ILE 53 Ca 0.80 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1mvz s ILE 53 Cb -0.34 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1mvz s ILE 53 CO 0.37 0.42 0.00 0.35 -1.23 0.00 0.00 174.94 174.85 1mvz n THR 54 N 4.03 0.00 -0.44 2.92 -2.24 0.19 -4.99 114.28 113.74 1mvz n THR 54 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1mvz n THR 54 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1mvz n THR 54 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mvz n ASP 55 N -2.47 1.06 -2.27 3.42 9.92 -1.26 -0.98 116.55 123.98 1mvz n ASP 55 Ca 0.00 -1.50 -0.09 0.00 -0.53 0.00 0.00 54.79 52.66 1mvz n ASP 55 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1mvz n ASP 55 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1mvz n PHE 56 N -0.25 -1.10 -4.31 1.24 1.16 -1.26 -4.77 117.46 108.17 1mvz n PHE 56 Ca 0.00 -1.49 -0.18 0.00 -1.87 0.00 0.00 57.45 53.91 1mvz n PHE 56 Cb 0.34 0.36 -0.13 0.00 -1.61 0.00 0.00 39.48 38.43 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 -0.71 3.53 0.97 0.00 2.02 -1.26 -5.09 117.35 116.82 1mvz s TYR 58 Ca 0.00 0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 57.31 1mvz s TYR 58 Cb -0.07 -2.25 0.18 0.00 -0.40 0.00 0.00 41.96 39.42 1mvz s TYR 58 CO 0.01 -0.23 1.11 -1.25 -1.57 0.00 0.00 175.55 173.62 1mvz s PRO 59 N -4.68 0.57 0.30 -1.71 0.04 -1.26 -4.38 135.00 123.88 1mvz s PRO 59 Ca 0.46 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 1mvz s PRO 59 Cb -0.10 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 1mvz s PRO 59 CO 0.43 -2.87 1.23 -1.13 0.04 0.00 0.00 177.00 174.70 1mvz n SER 60 N -4.38 2.29 -4.97 6.66 3.41 -1.22 -1.65 113.62 113.76 1mvz n SER 60 Ca 0.09 1.19 -0.20 0.00 -0.26 0.00 0.00 58.87 59.69 1mvz n SER 60 Cb 0.53 -1.41 0.05 0.00 -0.26 0.00 0.00 64.21 63.12 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88