#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 3.23 0.29 -0.78 2.47 -1.26 -4.88 119.74 118.82 1mvz s LYS 2 Ca 0.00 -1.14 -0.10 0.00 -1.56 0.00 0.00 55.97 53.17 1mvz s LYS 2 Cb 0.00 -5.31 0.00 0.00 -1.46 0.00 0.00 37.83 31.07 1mvz s LYS 2 CO 0.00 -2.84 0.51 -1.12 0.16 0.00 0.00 175.35 172.07 1mvz s SER 3 N 5.83 0.23 0.31 1.43 0.01 -1.26 -5.14 113.70 115.11 1mvz s SER 3 Ca 0.58 -1.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1mvz s SER 3 Cb -0.01 0.64 -0.12 0.00 0.21 0.00 0.00 66.02 66.75 1mvz s SER 3 CO 0.01 -1.26 1.58 1.07 0.41 0.00 0.00 173.24 175.05 1mvz n THR 4 N -0.46 1.18 -3.63 1.44 5.66 -1.26 -4.96 114.28 112.26 1mvz n THR 4 Ca -0.02 -0.30 -0.27 0.00 -3.05 0.00 0.00 64.05 60.41 1mvz n THR 4 Cb 0.62 -1.96 -0.10 0.00 -1.55 0.00 0.00 70.33 67.34 1mvz n THR 4 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1mvz n THR 5 N 1.86 1.89 -0.80 1.09 5.66 -1.26 -5.10 114.28 117.63 1mvz n THR 5 Ca 0.07 -5.00 -0.29 0.00 -3.05 0.00 0.00 64.05 55.79 1mvz n THR 5 Cb 0.37 -2.13 0.23 0.00 -1.55 0.00 0.00 70.33 67.25 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 -1.95 1.92 -0.48 1.09 -4.23 -1.26 -4.85 115.64 105.88 1mvz s THR 6 Ca 0.33 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.57 1mvz s THR 6 Cb 0.06 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.58 1mvz s THR 6 CO -0.09 0.00 2.40 0.00 -0.54 0.00 0.00 174.62 176.39 1mvz n ALA 7 N -4.72 0.90 -4.72 3.99 0.00 -1.26 -4.84 120.51 109.86 1mvz n ALA 7 Ca 0.05 -0.79 -0.31 0.00 0.00 0.00 0.00 53.44 52.38 1mvz n ALA 7 Cb 0.56 -3.11 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 1mvz n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n ASP 10 N -0.81 -0.56 -4.47 0.00 -0.08 -1.26 -0.51 116.55 108.86 1mvz n ASP 10 Ca -0.02 0.40 -0.43 0.00 -1.51 0.00 0.00 54.79 53.23 1mvz n ASP 10 Cb 0.61 0.69 -0.05 0.00 2.34 0.00 0.00 41.12 44.71 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1mvz s PHE 11 N -1.70 2.92 -0.72 -0.67 0.08 -1.26 -4.86 117.98 111.77 1mvz s PHE 11 Ca 0.00 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1mvz s PHE 11 Cb 0.00 -3.83 0.22 0.00 -0.57 0.00 0.00 43.02 38.84 1mvz s PHE 11 CO 0.00 -1.22 0.69 0.00 -0.10 0.00 0.00 175.22 174.59 1mvz s PRO 13 N -2.00 2.36 0.16 0.00 0.04 -1.19 -4.75 135.00 129.62 1mvz s PRO 13 Ca 0.32 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1mvz s PRO 13 Cb 0.05 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1mvz s PRO 13 CO -0.08 -1.60 0.15 0.00 0.04 0.00 0.00 177.00 175.51 1mvz s THR 15 N -4.04 4.26 -0.46 0.00 -4.23 -0.12 -4.98 115.64 106.06 1mvz s THR 15 Ca 0.24 0.47 0.03 0.00 -1.18 0.00 0.00 61.69 61.26 1mvz s THR 15 Cb 0.06 -3.69 0.49 0.00 1.34 0.00 0.00 72.50 70.69 1mvz s THR 15 CO 0.03 -0.83 1.67 0.54 -0.54 0.00 0.00 174.62 175.49 1mvz n ARG 16 N -2.68 2.73 -1.66 3.99 1.74 -1.26 -4.27 116.66 115.24 1mvz n ARG 16 Ca 0.05 -3.49 -0.20 0.00 -0.77 0.00 0.00 57.85 53.44 1mvz n ARG 16 Cb 0.56 -2.18 0.12 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 -0.93 0.45 -3.91 0.55 3.41 -1.26 -4.92 113.62 107.02 1mvz n SER 17 Ca 0.51 -1.55 -0.30 0.00 -0.26 0.00 0.00 58.87 57.27 1mvz n SER 17 Cb 0.94 -0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.75 1.96 0.74 -1.33 1.10 -1.26 -1.67 121.20 117.99 1mvz s ILE 18 Ca 0.52 -2.39 -0.11 0.00 -0.51 0.00 0.00 60.65 58.16 1mvz s ILE 18 Cb -0.02 -2.42 0.03 0.00 0.15 0.00 0.00 42.46 40.20 1mvz s ILE 18 CO 0.36 -0.69 1.08 -2.16 -2.11 0.00 0.00 174.94 171.42 1mvz s PRO 19 N 0.72 2.61 0.45 3.50 0.04 -1.26 -5.14 135.00 135.92 1mvz s PRO 19 Ca 0.13 0.64 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 1mvz s PRO 19 Cb -0.21 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1mvz s PRO 19 CO -0.09 -1.25 1.01 -1.25 0.04 0.00 0.00 177.00 175.45 1mvz s PRO 20 N -5.20 4.03 -0.06 0.56 0.04 -0.67 -5.00 135.00 128.70 1mvz s PRO 20 Ca 0.59 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1mvz s PRO 20 Cb -0.13 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1mvz s PRO 20 CO 0.54 -0.23 -0.18 -0.65 0.04 0.00 0.00 177.00 176.52 1mvz s GLN 21 N -3.06 2.00 0.14 4.56 -0.21 -1.26 -4.68 119.66 117.15 1mvz s GLN 21 Ca 0.63 -0.64 0.06 0.00 0.02 0.00 0.00 55.36 55.44 1mvz s GLN 21 Cb -0.15 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1mvz s GLN 21 CO 0.19 0.21 0.00 0.00 -2.12 0.00 0.00 175.29 173.57 1mvz s GLN 23 N -2.69 0.42 -0.29 0.00 0.74 -0.75 -1.63 119.66 115.46 1mvz s GLN 23 Ca 0.27 -0.79 -0.10 0.00 0.05 0.00 0.00 55.36 54.79 1mvz s GLN 23 Cb -0.10 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.06 1mvz s GLN 23 CO 0.18 -0.05 0.14 0.00 -0.55 0.00 0.00 175.29 175.02 1mvz n THR 25 N 4.99 1.85 -1.75 0.00 -2.24 -0.53 -4.17 114.28 112.44 1mvz n THR 25 Ca -0.14 -1.45 -0.35 0.00 -2.27 0.00 0.00 64.05 59.84 1mvz n THR 25 Cb 0.51 0.05 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1mvz n THR 25 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1mvz s ASP 26 N -1.36 4.82 -0.10 3.42 1.11 -1.26 -4.99 116.67 118.31 1mvz s ASP 26 Ca 0.40 2.29 -0.01 0.00 0.18 0.00 0.00 52.55 55.40 1mvz s ASP 26 Cb 0.28 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.72 1mvz s ASP 26 CO 0.15 -1.84 -0.03 -0.69 1.18 0.00 0.00 175.17 173.94 1mvz s VAL 27 N -1.90 0.68 0.00 -1.27 1.01 -1.26 -4.32 120.40 113.34 1mvz s VAL 27 Ca 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1mvz s VAL 27 Cb -0.28 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1mvz s VAL 27 CO 0.39 0.27 0.00 0.54 0.00 0.00 0.00 175.10 176.30 1mvz n ARG 28 N 5.05 0.00 0.00 2.72 5.12 -0.30 -4.95 116.66 124.30 1mvz n ARG 28 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1mvz n ARG 28 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 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 3.11 -1.35 5.56 4.07 -1.26 -1.03 120.64 129.74 1mvz n GLU 29 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1mvz n GLU 29 Cb 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 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 2.00 0.82 5.31 1.02 -1.26 -4.33 119.74 123.31 1mvz s LYS 30 Ca 0.00 1.76 -0.12 0.00 0.02 0.00 0.00 55.97 57.63 1mvz s LYS 30 Cb 0.00 -1.82 0.09 0.00 -0.52 0.00 0.00 37.83 35.58 1mvz s LYS 30 CO 0.00 -1.94 1.15 0.00 -0.92 0.00 0.00 175.35 173.64 1mvz s HIS 32 N -3.43 2.61 0.41 0.00 -3.43 -1.26 -4.99 115.29 105.20 1mvz s HIS 32 Ca 0.62 0.30 0.10 0.00 -0.80 0.00 0.00 55.06 55.28 1mvz s HIS 32 Cb -0.12 -3.23 0.92 0.00 -1.43 0.00 0.00 32.58 28.71 1mvz s HIS 32 CO 0.51 -1.53 1.99 1.03 -2.00 0.00 0.00 174.74 174.74 1mvz h SER 33 N -0.64 0.47 -1.35 7.38 0.87 -1.88 -2.67 113.55 115.72 1mvz h SER 33 Ca -0.43 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.45 1mvz h SER 33 Cb 1.30 -0.10 -0.32 0.00 -0.44 0.00 0.00 62.40 62.84 1mvz h SER 33 CO 0.55 0.30 0.45 0.00 -0.53 0.00 0.00 176.83 177.60 1mvz n ALA 34 N -2.49 6.02 -3.55 6.23 0.00 -1.26 -4.81 120.51 120.65 1mvz n ALA 34 Ca 0.08 -3.85 -0.14 0.00 0.00 0.00 0.00 53.44 49.53 1mvz n ALA 34 Cb 0.26 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 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 5.35 0.82 -3.53 0.00 5.02 -1.26 -4.68 118.16 119.88 1mvz n LYS 36 Ca -0.06 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1mvz n LYS 36 Cb 0.50 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 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 -5.60 5.90 -0.12 4.39 0.15 -1.26 -5.05 113.70 112.12 1mvz s SER 37 Ca -0.20 -1.06 0.03 0.00 0.70 0.00 0.00 55.95 55.41 1mvz s SER 37 Cb 0.06 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1mvz s SER 37 CO 0.52 -0.46 -0.20 0.00 1.20 0.00 0.00 173.24 174.30 1mvz s LEU 39 N 0.42 2.21 0.09 0.00 1.98 -0.14 -4.92 118.68 118.32 1mvz s LEU 39 Ca -0.15 -0.47 0.02 0.00 -2.89 0.00 0.00 54.13 50.64 1mvz s LEU 39 Cb -0.17 -0.25 -0.04 0.00 0.66 0.00 0.00 46.19 46.39 1mvz s LEU 39 CO 0.07 -0.13 -0.07 0.00 -1.89 0.00 0.00 176.35 174.32 1mvz s THR 41 N -3.05 4.72 -1.90 0.00 -1.32 -0.59 -4.95 115.64 108.55 1mvz s THR 41 Ca 0.07 0.78 0.12 0.00 -1.21 0.00 0.00 61.69 61.44 1mvz s THR 41 Cb 0.01 -3.72 0.35 0.00 -1.51 0.00 0.00 72.50 67.63 1mvz s THR 41 CO -0.03 -0.54 1.27 -2.11 -2.21 0.00 0.00 174.62 171.01 1mvz n ARG 42 N -1.30 1.98 -1.07 7.08 1.85 -1.26 -3.98 116.66 119.95 1mvz n ARG 42 Ca 0.03 -1.41 -0.28 0.00 -1.00 0.00 0.00 57.85 55.19 1mvz n ARG 42 Cb 0.54 -1.34 0.24 0.00 -1.05 0.00 0.00 32.46 30.84 1mvz n ARG 42 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1mvz n SER 43 N 0.61 -1.84 -4.08 2.89 7.64 -1.26 -4.88 113.62 112.69 1mvz n SER 43 Ca 0.13 -1.17 -0.32 0.00 1.01 0.00 0.00 58.87 58.52 1mvz n SER 43 Cb 0.36 -0.96 -0.16 0.00 -1.01 0.00 0.00 64.21 62.44 1mvz n SER 43 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1mvz s PHE 44 N -2.98 2.94 0.55 1.43 5.36 -1.26 -1.67 117.98 122.35 1mvz s PHE 44 Ca 0.68 -1.92 -0.18 0.00 -0.96 0.00 0.00 56.93 54.54 1mvz s PHE 44 Cb -0.06 -1.89 -0.05 0.00 -0.34 0.00 0.00 43.02 40.68 1mvz s PHE 44 CO 0.52 -0.83 1.09 -1.25 -1.46 0.00 0.00 175.22 173.29 1mvz s PRO 45 N 1.22 3.38 0.24 10.12 0.04 -1.26 -5.12 135.00 143.62 1mvz s PRO 45 Ca -0.02 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1mvz s PRO 45 Cb -0.16 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1mvz s PRO 45 CO -0.09 -0.79 1.19 -1.25 0.04 0.00 0.00 177.00 176.10 1mvz s PRO 46 N -3.54 4.52 -0.07 0.56 0.04 -0.67 -4.97 135.00 130.87 1mvz s PRO 46 Ca 0.69 1.91 -0.14 0.00 0.04 0.00 0.00 61.00 63.50 1mvz s PRO 46 Cb -0.20 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1mvz s PRO 46 CO 0.29 -0.01 0.34 -1.14 0.04 0.00 0.00 177.00 176.51 1mvz s GLN 47 N -0.84 0.56 0.30 4.56 0.74 -1.26 -4.97 119.66 118.76 1mvz s GLN 47 Ca 0.50 0.13 0.09 0.00 0.05 0.00 0.00 55.36 56.12 1mvz s GLN 47 Cb -0.34 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 1mvz s GLN 47 CO 0.40 -0.12 0.10 0.00 -0.55 0.00 0.00 175.29 175.12 1mvz s ARG 49 N -3.79 0.89 -0.16 0.00 3.52 0.63 -1.14 118.95 118.90 1mvz s ARG 49 Ca 0.35 -0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 55.35 1mvz s ARG 49 Cb -0.04 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1mvz s ARG 49 CO 0.22 -0.30 0.62 0.00 -0.81 0.00 0.00 175.30 175.03 1mvz n TYR 51 N 4.59 1.51 -3.05 0.00 4.19 0.11 -4.65 117.16 119.86 1mvz n TYR 51 Ca -0.02 -0.84 -0.33 0.00 3.31 0.00 0.00 57.90 60.02 1mvz n TYR 51 Cb 0.50 -0.42 -0.06 0.00 0.49 0.00 0.00 39.34 39.85 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 -1.42 6.83 -0.11 2.98 2.15 -1.08 -4.78 116.67 121.24 1mvz s ASP 52 Ca 0.48 1.39 -0.02 0.00 0.43 0.00 0.00 52.55 54.84 1mvz s ASP 52 Cb 0.38 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.55 1mvz s ASP 52 CO 0.12 -0.24 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.22 1mvz s ILE 53 N -2.02 3.97 0.03 4.11 -1.09 -1.26 -4.49 121.20 120.45 1mvz s ILE 53 Ca 0.56 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1mvz s ILE 53 Cb -0.10 -2.69 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1mvz s ILE 53 CO 0.16 0.55 -0.04 0.42 -1.23 0.00 0.00 174.94 174.81 1mvz s THR 54 N -0.31 0.19 0.27 2.92 -4.23 -0.65 -5.01 115.64 108.82 1mvz s THR 54 Ca 0.05 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1mvz s THR 54 Cb -0.12 -0.46 0.14 0.00 1.34 0.00 0.00 72.50 73.39 1mvz s THR 54 CO 0.02 -0.54 1.79 0.44 -0.54 0.00 0.00 174.62 175.79 1mvz h ASP 55 N 4.44 0.79 -4.65 3.99 5.19 -1.83 0.15 116.42 124.51 1mvz h ASP 55 Ca -0.33 -0.16 -0.15 0.00 -0.62 0.00 0.00 57.03 55.77 1mvz h ASP 55 Cb 1.20 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1mvz h ASP 55 CO 0.44 0.81 -0.04 2.22 -3.12 0.00 0.00 179.24 179.55 1mvz n PHE 56 N -4.25 -2.40 -3.93 4.55 1.16 -1.26 -4.36 117.46 106.97 1mvz n PHE 56 Ca 0.03 -0.66 -0.10 0.00 -1.87 0.00 0.00 57.45 54.86 1mvz n PHE 56 Cb 0.26 -0.16 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 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 -1.42 3.49 0.86 0.00 2.02 -1.26 -5.09 117.35 115.96 1mvz s TYR 58 Ca -0.15 0.65 -0.10 0.00 -0.37 0.00 0.00 57.07 57.09 1mvz s TYR 58 Cb -0.09 -2.12 0.11 0.00 -0.40 0.00 0.00 41.96 39.47 1mvz s TYR 58 CO 0.00 0.10 1.13 -1.25 -1.57 0.00 0.00 175.55 173.97 1mvz s PRO 59 N -3.79 1.44 0.46 -1.71 0.04 -1.26 -4.62 135.00 125.56 1mvz s PRO 59 Ca 0.44 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1mvz s PRO 59 Cb -0.10 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 1mvz s PRO 59 CO 0.32 -2.30 1.37 -1.12 0.04 0.00 0.00 177.00 175.31 1mvz s SER 60 N -2.85 5.85 0.65 6.66 0.01 -1.25 -3.81 113.70 118.95 1mvz s SER 60 Ca 0.65 2.79 -0.04 0.00 1.31 0.00 0.00 55.95 60.67 1mvz s SER 60 Cb -0.21 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.42 1mvz s SER 60 CO 0.57 -1.18 0.93 0.00 0.41 0.00 0.00 173.24 173.97