#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 2.85 0.51 -0.78 2.20 -1.26 -4.95 119.74 118.30 1mvz s LYS 2 Ca 0.00 1.77 -0.05 0.00 -0.36 0.00 0.00 55.97 57.33 1mvz s LYS 2 Cb 0.00 -4.42 0.11 0.00 -1.51 0.00 0.00 37.83 32.01 1mvz s LYS 2 CO 0.00 -2.43 0.70 -1.13 -0.36 0.00 0.00 175.35 172.13 1mvz n SER 3 N 12.78 0.46 -4.47 1.43 3.41 -1.26 -5.10 113.62 120.87 1mvz n SER 3 Ca 0.31 -1.50 -0.29 0.00 -0.26 0.00 0.00 58.87 57.13 1mvz n SER 3 Cb 0.48 -0.49 0.22 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.23 1.93 0.00 6.66 -1.32 -1.26 -4.48 115.64 114.93 1mvz s THR 4 Ca 0.42 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 1mvz s THR 4 Cb -0.02 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1mvz s THR 4 CO 0.29 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.77 1mvz n THR 5 N -4.61 0.00 -1.05 5.08 5.66 -1.26 -4.90 114.28 113.20 1mvz n THR 5 Ca 0.05 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.75 1mvz n THR 5 Cb 0.57 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.59 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 0.00 1.57 -0.11 1.09 -4.23 -1.26 -4.31 115.64 108.39 1mvz s THR 6 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 1mvz s THR 6 Cb 0.00 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.30 1mvz s THR 6 CO 0.00 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.19 1mvz s ALA 7 N -2.98 3.10 0.01 3.99 0.00 -1.26 -4.22 121.76 120.40 1mvz s ALA 7 Ca 0.71 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1mvz s ALA 7 Cb -0.10 -3.98 -0.00 0.00 0.00 0.00 0.00 23.12 19.05 1mvz s ALA 7 CO 0.56 -2.27 0.01 0.00 0.00 0.00 0.00 175.76 174.06 1mvz n ASP 10 N -0.56 1.48 -4.08 0.00 4.64 -1.26 -0.68 116.55 116.09 1mvz n ASP 10 Ca -0.07 0.23 -0.32 0.00 -1.38 0.00 0.00 54.79 53.25 1mvz n ASP 10 Cb 0.62 -0.55 -0.15 0.00 -1.04 0.00 0.00 41.12 40.00 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1mvz s PHE 11 N -2.42 3.28 -0.52 -0.67 0.08 -1.26 -4.79 117.98 111.68 1mvz s PHE 11 Ca -0.16 -2.28 0.04 0.00 0.12 0.00 0.00 56.93 54.65 1mvz s PHE 11 Cb 0.02 -1.98 0.13 0.00 -0.57 0.00 0.00 43.02 40.62 1mvz s PHE 11 CO 0.23 -0.87 0.27 0.00 -0.10 0.00 0.00 175.22 174.76 1mvz s PRO 13 N -0.26 0.08 0.10 0.00 0.04 -1.10 -4.75 135.00 129.11 1mvz s PRO 13 Ca 0.18 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.60 1mvz s PRO 13 Cb -0.24 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1mvz s PRO 13 CO -0.01 -2.93 -0.10 0.00 0.04 0.00 0.00 177.00 174.00 1mvz s THR 15 N -2.71 4.19 -0.46 0.00 -4.23 -0.13 -4.98 115.64 107.31 1mvz s THR 15 Ca 0.08 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1mvz s THR 15 Cb -0.01 -3.61 0.52 0.00 1.34 0.00 0.00 72.50 70.73 1mvz s THR 15 CO -0.00 -0.58 1.73 0.54 -0.54 0.00 0.00 174.62 175.77 1mvz n ARG 16 N -2.36 2.54 -2.50 3.99 1.74 -1.26 -4.38 116.66 114.43 1mvz n ARG 16 Ca 0.02 -3.35 -0.25 0.00 -0.77 0.00 0.00 57.85 53.50 1mvz n ARG 16 Cb 0.57 -2.15 0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.18 4.00 -0.26 0.55 1.04 -1.26 -4.98 113.70 110.61 1mvz s SER 17 Ca 0.56 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 1mvz s SER 17 Cb 0.46 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.77 1mvz s SER 17 CO 0.03 -2.11 0.02 -0.51 0.98 0.00 0.00 173.24 171.65 1mvz s ILE 18 N -3.30 1.14 0.68 -1.02 -1.16 -1.26 -1.99 121.20 114.28 1mvz s ILE 18 Ca 0.69 -1.20 -0.14 0.00 -0.51 0.00 0.00 60.65 59.50 1mvz s ILE 18 Cb -0.04 -1.63 0.01 0.00 0.61 0.00 0.00 42.46 41.40 1mvz s ILE 18 CO 0.46 -0.34 1.09 -2.16 -2.81 0.00 0.00 174.94 171.18 1mvz s PRO 19 N 1.54 2.79 0.26 3.50 0.04 -1.26 -5.11 135.00 136.76 1mvz s PRO 19 Ca 0.01 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1mvz s PRO 19 Cb -0.18 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1mvz s PRO 19 CO -0.12 -1.24 1.02 -1.25 0.04 0.00 0.00 177.00 175.45 1mvz s PRO 20 N -4.41 4.75 -0.14 0.56 0.04 -0.84 -5.02 135.00 129.94 1mvz s PRO 20 Ca 0.64 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 1mvz s PRO 20 Cb -0.18 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1mvz s PRO 20 CO 0.46 0.36 -0.01 -0.65 0.04 0.00 0.00 177.00 177.19 1mvz s GLN 21 N -1.31 3.51 -0.01 4.56 1.11 -1.26 -4.73 119.66 121.52 1mvz s GLN 21 Ca 0.43 -0.47 0.01 0.00 0.01 0.00 0.00 55.36 55.34 1mvz s GLN 21 Cb -0.29 -2.91 -0.04 0.00 -1.01 0.00 0.00 33.01 28.76 1mvz s GLN 21 CO 0.37 0.38 -0.01 0.00 0.01 0.00 0.00 175.29 176.04 1mvz s GLN 23 N -1.44 1.71 -0.03 0.00 0.00 -0.81 -1.23 119.66 117.86 1mvz s GLN 23 Ca 0.18 -1.10 -0.01 0.00 -0.00 0.00 0.00 55.36 54.43 1mvz s GLN 23 Cb -0.11 0.56 -0.04 0.00 0.00 0.00 0.00 33.01 33.42 1mvz s GLN 23 CO 0.09 -0.76 0.08 0.00 0.00 0.00 0.00 175.29 174.69 1mvz n THR 25 N 1.42 0.00 -1.39 0.00 5.66 -0.74 -4.69 114.28 114.55 1mvz n THR 25 Ca -0.15 -0.21 -0.33 0.00 -3.05 0.00 0.00 64.05 60.31 1mvz n THR 25 Cb 0.53 0.59 0.09 0.00 -1.55 0.00 0.00 70.33 69.99 1mvz n THR 25 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mvz s ASP 26 N -2.22 4.22 0.02 1.09 3.68 -1.23 -5.05 116.67 117.20 1mvz s ASP 26 Ca -0.01 2.23 0.08 0.00 2.13 0.00 0.00 52.55 56.98 1mvz s ASP 26 Cb 0.03 -2.57 -0.02 0.00 -1.45 0.00 0.00 42.92 38.91 1mvz s ASP 26 CO 0.21 -2.24 -0.23 -0.69 0.13 0.00 0.00 175.17 172.35 1mvz s VAL 27 N -2.20 1.84 0.00 1.11 1.01 -1.26 -4.62 120.40 116.28 1mvz s VAL 27 Ca 0.71 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1mvz s VAL 27 Cb -0.26 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1mvz s VAL 27 CO 0.47 0.35 0.00 -1.14 0.00 0.00 0.00 175.10 174.78 1mvz n ARG 28 N 2.06 0.00 0.00 2.72 3.00 -0.27 -5.00 116.66 119.18 1mvz n ARG 28 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1mvz n ARG 28 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 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 0.28 -0.83 -0.14 2.13 -1.26 -1.30 120.64 119.53 1mvz n GLU 29 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1mvz n GLU 29 Cb 0.00 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.94 1mvz n GLU 29 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1mvz s LYS 30 N 2.41 -0.76 0.55 5.31 -2.85 -1.26 -4.08 119.74 119.06 1mvz s LYS 30 Ca 0.00 0.49 -0.19 0.00 -1.00 0.00 0.00 55.97 55.28 1mvz s LYS 30 Cb 0.00 -1.60 -0.05 0.00 -2.06 0.00 0.00 37.83 34.12 1mvz s LYS 30 CO 0.00 -3.53 1.10 0.00 0.10 0.00 0.00 175.35 173.02 1mvz n HIS 32 N -1.45 -3.84 0.92 0.00 1.44 -1.26 -4.95 115.22 106.08 1mvz n HIS 32 Ca 0.11 -1.14 0.00 0.00 -2.01 0.00 0.00 57.72 54.67 1mvz n HIS 32 Cb 0.52 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.74 1mvz n HIS 32 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1mvz n SER 33 N -3.65 1.65 -2.75 4.39 2.88 -1.26 -3.75 113.62 111.14 1mvz n SER 33 Ca 0.15 -1.84 -0.08 0.00 -1.33 0.00 0.00 58.87 55.77 1mvz n SER 33 Cb 0.52 -0.46 0.05 0.00 -0.75 0.00 0.00 64.21 63.58 1mvz n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mvz n ALA 34 N 0.24 -1.43 -3.70 -1.46 0.00 -1.26 -4.57 120.51 108.33 1mvz n ALA 34 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 53.44 51.77 1mvz n ALA 34 Cb 0.32 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.23 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 4.26 1.55 -5.15 0.00 0.00 -1.26 -4.90 118.16 112.66 1mvz n LYS 36 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.80 1mvz n LYS 36 Cb 0.51 -1.37 -0.16 0.00 0.00 0.00 0.00 35.03 34.01 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mvz s SER 37 N -4.85 3.26 -0.14 3.14 0.15 -1.26 -5.03 113.70 108.97 1mvz s SER 37 Ca -0.08 -0.50 -0.20 0.00 0.70 0.00 0.00 55.95 55.86 1mvz s SER 37 Cb 0.04 -1.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.10 1mvz s SER 37 CO 0.58 0.19 0.53 0.00 1.20 0.00 0.00 173.24 175.73 1mvz s LEU 39 N -0.26 0.28 0.17 0.00 2.96 -0.55 -4.98 118.68 116.30 1mvz s LEU 39 Ca -0.04 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 52.97 1mvz s LEU 39 Cb -0.03 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.46 1mvz s LEU 39 CO 0.03 -1.16 -0.01 0.00 -1.32 0.00 0.00 176.35 173.88 1mvz s THR 41 N -3.61 4.32 -0.85 0.00 -4.23 -0.05 -4.99 115.64 106.23 1mvz s THR 41 Ca 0.23 1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 62.24 1mvz s THR 41 Cb 0.06 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1mvz s THR 41 CO 0.03 -0.23 2.11 -2.11 -0.54 0.00 0.00 174.62 173.88 1mvz n ARG 42 N -0.43 3.33 -0.52 3.99 1.85 -1.26 -4.61 116.66 119.00 1mvz n ARG 42 Ca 0.06 -3.59 0.00 0.00 -1.00 0.00 0.00 57.85 53.32 1mvz n ARG 42 Cb 0.53 -2.31 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 1mvz n ARG 42 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1mvz n SER 43 N -0.16 0.00 -4.00 2.89 2.88 -1.26 -5.14 113.62 108.83 1mvz n SER 43 Ca 0.52 -0.39 -0.24 0.00 -1.33 0.00 0.00 58.87 57.43 1mvz n SER 43 Cb 0.28 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.58 1mvz n SER 43 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1mvz s PHE 44 N -4.05 1.35 0.48 0.66 5.36 -1.26 -3.30 117.98 117.22 1mvz s PHE 44 Ca 0.00 -0.49 -0.22 0.00 -0.96 0.00 0.00 56.93 55.26 1mvz s PHE 44 Cb 0.00 -1.01 -0.07 0.00 -0.34 0.00 0.00 43.02 41.59 1mvz s PHE 44 CO 0.00 -0.27 1.13 -1.25 -1.46 0.00 0.00 175.22 173.36 1mvz s PRO 45 N 0.75 3.69 -0.70 10.12 0.04 -1.26 -5.07 135.00 142.57 1mvz s PRO 45 Ca -0.13 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 1mvz s PRO 45 Cb -0.15 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1mvz s PRO 45 CO 0.03 -0.58 1.61 -1.25 0.04 0.00 0.00 177.00 176.84 1mvz s PRO 46 N -2.91 2.90 -0.07 0.56 0.04 -1.21 -4.93 135.00 129.38 1mvz s PRO 46 Ca 0.66 0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 1mvz s PRO 46 Cb -0.25 -4.39 -0.03 0.00 0.04 0.00 0.00 34.50 29.86 1mvz s PRO 46 CO 0.30 -2.51 0.01 -0.65 0.04 0.00 0.00 177.00 174.19 1mvz s GLN 47 N 6.41 2.99 0.14 4.56 -0.21 -1.26 -4.90 119.66 127.38 1mvz s GLN 47 Ca 0.53 -0.42 0.08 0.00 0.02 0.00 0.00 55.36 55.57 1mvz s GLN 47 Cb -0.10 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1mvz s GLN 47 CO 0.16 0.70 -0.18 0.00 -2.12 0.00 0.00 175.29 173.84 1mvz s ARG 49 N -2.54 0.83 -0.14 0.00 3.03 -0.31 -1.11 118.95 118.71 1mvz s ARG 49 Ca 0.12 -1.21 0.02 0.00 2.03 0.00 0.00 55.73 56.69 1mvz s ARG 49 Cb -0.07 0.27 0.00 0.00 -1.03 0.00 0.00 34.95 34.13 1mvz s ARG 49 CO 0.05 -0.23 -0.20 0.00 -1.13 0.00 0.00 175.30 173.79 1mvz n TYR 51 N 3.93 2.19 -1.65 0.00 4.19 -0.14 -4.43 117.16 121.24 1mvz n TYR 51 Ca -0.19 -2.08 -0.35 0.00 3.31 0.00 0.00 57.90 58.58 1mvz n TYR 51 Cb 0.52 -0.33 0.07 0.00 0.49 0.00 0.00 39.34 40.09 1mvz n TYR 51 CO 0.00 0.00 0.00 0.16 0.91 0.00 0.00 176.86 177.93 1mvz s ASP 52 N -3.50 4.54 -0.44 2.98 -4.77 -1.24 -4.63 116.67 109.60 1mvz s ASP 52 Ca 0.48 2.43 -0.08 0.00 -3.30 0.00 0.00 52.55 52.09 1mvz s ASP 52 Cb 0.40 -2.60 0.10 0.00 -1.09 0.00 0.00 42.92 39.74 1mvz s ASP 52 CO 0.02 -2.04 0.28 -0.63 0.70 0.00 0.00 175.17 173.50 1mvz s ILE 53 N -1.74 4.03 0.33 2.11 -1.09 -1.26 -4.30 121.20 119.27 1mvz s ILE 53 Ca 0.77 -1.69 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1mvz s ILE 53 Cb -0.32 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1mvz s ILE 53 CO 0.41 -0.65 0.16 0.35 -1.23 0.00 0.00 174.94 173.98 1mvz n THR 54 N 4.85 0.00 -0.29 2.92 -2.24 -0.37 -4.98 114.28 114.18 1mvz n THR 54 Ca -0.08 -1.39 0.06 0.00 -2.27 0.00 0.00 64.05 60.38 1mvz n THR 54 Cb 0.42 -0.03 0.17 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.65 3.09 -4.04 3.42 2.03 -1.26 -0.75 116.55 117.38 1mvz n ASP 55 Ca -0.05 -2.13 -0.10 0.00 0.52 0.00 0.00 54.79 53.02 1mvz n ASP 55 Cb 0.39 -0.28 -0.07 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.24 0.59 -0.04 -0.67 -0.12 -1.26 -4.69 117.98 110.55 1mvz s PHE 56 Ca 0.26 -0.91 0.07 0.00 -0.05 0.00 0.00 56.93 56.30 1mvz s PHE 56 Cb 0.15 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1mvz s PHE 56 CO 0.15 -0.90 -0.23 0.00 -0.05 0.00 0.00 175.22 174.19 1mvz s TYR 58 N -0.51 3.47 0.91 0.00 2.02 -1.26 -5.08 117.35 116.90 1mvz s TYR 58 Ca 0.07 1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.92 1mvz s TYR 58 Cb -0.11 -2.63 0.14 0.00 -0.40 0.00 0.00 41.96 38.96 1mvz s TYR 58 CO 0.00 -0.27 1.09 -1.25 -1.57 0.00 0.00 175.55 173.56 1mvz s PRO 59 N -4.04 1.11 0.23 -1.71 0.04 -1.26 -4.62 135.00 124.75 1mvz s PRO 59 Ca 0.55 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 1mvz s PRO 59 Cb -0.10 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 1mvz s PRO 59 CO 0.33 -2.40 1.54 -1.54 0.04 0.00 0.00 177.00 174.97 1mvz s SER 60 N -3.18 6.53 1.01 6.66 1.04 -1.26 -3.50 113.70 121.01 1mvz s SER 60 Ca 0.64 2.75 -0.08 0.00 0.48 0.00 0.00 55.95 59.74 1mvz s SER 60 Cb -0.19 -2.62 0.12 0.00 0.10 0.00 0.00 66.02 63.43 1mvz s SER 60 CO 0.58 -0.82 0.65 0.00 0.98 0.00 0.00 173.24 174.64