#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 1.18 0.41 1.09 -2.85 -1.26 -5.19 119.74 113.12 1mvz s LYS 2 Ca 0.00 -0.45 0.05 0.00 -1.00 0.00 0.00 55.97 54.57 1mvz s LYS 2 Cb 0.00 0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 36.24 1mvz s LYS 2 CO 0.00 -0.52 0.03 -1.54 0.10 0.00 0.00 175.35 173.42 1mvz s SER 3 N -2.69 3.54 -0.14 0.03 1.04 -1.26 -5.17 113.70 109.05 1mvz s SER 3 Ca 0.03 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 54.90 1mvz s SER 3 Cb -0.01 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.04 1mvz s SER 3 CO -0.11 -0.59 0.37 0.28 0.98 0.00 0.00 173.24 174.18 1mvz s THR 4 N -2.90 -0.01 -0.35 2.02 -1.32 -1.26 -5.05 115.64 106.79 1mvz s THR 4 Ca 0.29 0.02 0.08 0.00 -1.21 0.00 0.00 61.69 60.88 1mvz s THR 4 Cb 0.08 -0.52 0.32 0.00 -1.51 0.00 0.00 72.50 70.87 1mvz s THR 4 CO 0.14 0.01 1.31 1.07 -2.21 0.00 0.00 174.62 174.95 1mvz n THR 5 N 3.17 0.00 -2.05 5.08 5.66 -1.26 -5.17 114.28 119.72 1mvz n THR 5 Ca -0.15 -1.16 -0.28 0.00 -3.05 0.00 0.00 64.05 59.41 1mvz n THR 5 Cb 0.57 0.91 0.13 0.00 -1.55 0.00 0.00 70.33 70.38 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 0.14 2.07 -0.13 1.09 -4.23 -1.26 -4.91 115.64 108.41 1mvz s THR 6 Ca 0.15 -0.12 -0.35 0.00 -1.18 0.00 0.00 61.69 60.19 1mvz s THR 6 Cb 0.34 -2.95 -0.12 0.00 1.34 0.00 0.00 72.50 71.11 1mvz s THR 6 CO -0.08 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.88 1mvz n ALA 7 N -3.38 0.74 -2.41 3.99 0.00 -1.26 -4.82 120.51 113.37 1mvz n ALA 7 Ca 0.12 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1mvz n ALA 7 Cb 0.60 -2.47 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 1.41 0.70 -4.54 0.00 2.03 -1.26 -3.42 116.55 111.46 1mvz n ASP 10 Ca -0.09 0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 1mvz n ASP 10 Cb 0.57 -0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.68 2.85 -0.54 -0.67 0.08 -1.26 -4.95 117.98 111.82 1mvz s PHE 11 Ca -0.09 0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.20 1mvz s PHE 11 Cb 0.01 -4.02 0.33 0.00 -0.57 0.00 0.00 43.02 38.78 1mvz s PHE 11 CO 0.13 -1.23 0.88 0.00 -0.10 0.00 0.00 175.22 174.90 1mvz s PRO 13 N -3.14 2.51 0.15 0.00 0.04 -1.14 -4.71 135.00 128.71 1mvz s PRO 13 Ca 0.46 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1mvz s PRO 13 Cb 0.28 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1mvz s PRO 13 CO -0.12 -1.44 -0.13 0.00 0.04 0.00 0.00 177.00 175.35 1mvz s THR 15 N -2.66 1.91 -1.32 0.00 -4.23 -0.25 -4.99 115.64 104.10 1mvz s THR 15 Ca 0.14 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.81 1mvz s THR 15 Cb -0.02 -2.69 0.47 0.00 1.34 0.00 0.00 72.50 71.60 1mvz s THR 15 CO 0.03 0.00 1.40 -2.11 -0.54 0.00 0.00 174.62 173.40 1mvz n ARG 16 N -4.06 2.88 -1.42 3.99 1.85 -1.26 -4.62 116.66 114.02 1mvz n ARG 16 Ca 0.09 -2.37 -0.29 0.00 -1.00 0.00 0.00 57.85 54.28 1mvz n ARG 16 Cb 0.59 -1.45 0.17 0.00 -1.05 0.00 0.00 32.46 30.73 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 -1.03 2.72 -0.32 2.89 1.04 -1.26 -4.93 113.70 112.81 1mvz s SER 17 Ca 0.36 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1mvz s SER 17 Cb 0.19 -1.28 0.10 0.00 0.10 0.00 0.00 66.02 65.13 1mvz s SER 17 CO 0.23 -3.03 0.08 -0.51 0.98 0.00 0.00 173.24 170.99 1mvz s ILE 18 N -3.24 1.25 0.71 -1.02 1.10 -1.26 -1.77 121.20 116.96 1mvz s ILE 18 Ca 0.67 -1.65 -0.12 0.00 -0.51 0.00 0.00 60.65 59.04 1mvz s ILE 18 Cb -0.13 -1.93 0.02 0.00 0.15 0.00 0.00 42.46 40.57 1mvz s ILE 18 CO 0.55 -0.65 1.08 -2.16 -2.11 0.00 0.00 174.94 171.64 1mvz s PRO 19 N 1.43 2.69 0.32 3.50 0.04 -1.26 -5.14 135.00 136.57 1mvz s PRO 19 Ca 0.10 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 1mvz s PRO 19 Cb -0.18 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 19 CO -0.21 -1.31 0.88 -1.25 0.04 0.00 0.00 177.00 175.15 1mvz s PRO 20 N -4.70 4.39 -0.12 0.56 0.04 -0.73 -5.00 135.00 129.44 1mvz s PRO 20 Ca 0.61 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1mvz s PRO 20 Cb -0.17 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1mvz s PRO 20 CO 0.51 0.23 -0.13 -0.65 0.04 0.00 0.00 177.00 177.01 1mvz s GLN 21 N -2.34 3.27 -0.02 4.56 1.11 -1.26 -4.76 119.66 120.23 1mvz s GLN 21 Ca 0.51 -0.67 -0.00 0.00 0.01 0.00 0.00 55.36 55.20 1mvz s GLN 21 Cb -0.16 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.19 1mvz s GLN 21 CO 0.20 0.28 0.05 0.00 0.01 0.00 0.00 175.29 175.84 1mvz s GLN 23 N -1.53 0.72 -0.23 0.00 -0.21 -0.62 -0.56 119.66 117.23 1mvz s GLN 23 Ca 0.20 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 1mvz s GLN 23 Cb -0.12 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 1mvz s GLN 23 CO 0.11 -0.19 0.04 0.00 -2.12 0.00 0.00 175.29 173.13 1mvz n THR 25 N 4.73 2.54 -2.60 0.00 -2.24 -0.35 -4.08 114.28 112.28 1mvz n THR 25 Ca -0.17 -1.95 -0.35 0.00 -2.27 0.00 0.00 64.05 59.32 1mvz n THR 25 Cb 0.51 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.74 6.61 -0.07 3.42 3.68 -1.21 -4.81 116.67 122.55 1mvz s ASP 26 Ca 0.47 1.91 -0.03 0.00 2.13 0.00 0.00 52.55 57.04 1mvz s ASP 26 Cb 0.39 -2.56 0.04 0.00 -1.45 0.00 0.00 42.92 39.33 1mvz s ASP 26 CO 0.09 -0.59 0.14 -0.69 0.13 0.00 0.00 175.17 174.24 1mvz s VAL 27 N -1.91 -0.10 0.00 1.11 1.01 -1.26 -3.35 120.40 115.90 1mvz s VAL 27 Ca 0.63 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1mvz s VAL 27 Cb -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1mvz s VAL 27 CO 0.21 0.10 0.00 -1.14 0.00 0.00 0.00 175.10 174.27 1mvz n ARG 28 N 4.50 0.00 0.00 2.72 0.63 -0.39 -4.98 116.66 119.14 1mvz n ARG 28 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1mvz n ARG 28 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1mvz n GLU 29 N 0.00 0.00 -4.31 -0.14 4.07 -1.26 -0.67 120.64 118.33 1mvz n GLU 29 Ca 0.00 0.05 -0.26 0.00 -0.06 0.00 0.00 57.16 56.89 1mvz n GLU 29 Cb 0.00 -0.95 -0.09 0.00 -0.06 0.00 0.00 31.44 30.34 1mvz n GLU 29 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1mvz s LYS 30 N -0.90 2.13 0.29 5.31 -2.85 -1.26 -3.24 119.74 119.22 1mvz s LYS 30 Ca 0.00 -1.94 0.02 0.00 -1.00 0.00 0.00 55.97 53.05 1mvz s LYS 30 Cb 0.00 -1.86 -0.03 0.00 -2.06 0.00 0.00 37.83 33.88 1mvz s LYS 30 CO 0.00 -0.09 0.47 0.00 0.10 0.00 0.00 175.35 175.83 1mvz s HIS 32 N -2.15 2.51 0.31 0.00 -3.43 -1.26 -4.99 115.29 106.28 1mvz s HIS 32 Ca 0.38 0.15 0.06 0.00 -0.80 0.00 0.00 55.06 54.85 1mvz s HIS 32 Cb -0.10 -3.11 0.74 0.00 -1.43 0.00 0.00 32.58 28.68 1mvz s HIS 32 CO 0.33 -1.43 1.80 1.03 -2.00 0.00 0.00 174.74 174.46 1mvz h SER 33 N -0.49 0.78 -1.14 7.38 0.87 -1.91 -2.60 113.55 116.44 1mvz h SER 33 Ca -0.42 0.08 -0.64 0.00 -1.23 0.00 0.00 61.79 59.58 1mvz h SER 33 Cb 1.29 -0.06 -0.35 0.00 -0.44 0.00 0.00 62.40 62.85 1mvz h SER 33 CO 0.52 0.31 0.17 0.00 -0.53 0.00 0.00 176.83 177.30 1mvz n ALA 34 N -2.35 5.80 -4.05 6.23 0.00 -1.26 -4.90 120.51 119.98 1mvz n ALA 34 Ca 0.22 -3.78 -0.31 0.00 0.00 0.00 0.00 53.44 49.57 1mvz n ALA 34 Cb 0.54 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 18.63 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 4.73 0.56 -3.68 0.00 5.02 -1.26 -4.78 118.16 118.75 1mvz n LYS 36 Ca -0.18 0.14 -0.37 0.00 -2.02 0.00 0.00 58.31 55.87 1mvz n LYS 36 Cb 0.50 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 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 -6.28 5.47 -0.08 4.39 0.15 -1.26 -5.01 113.70 111.08 1mvz s SER 37 Ca -0.31 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.04 1mvz s SER 37 Cb 0.08 -1.99 0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1mvz s SER 37 CO 0.52 -0.09 0.19 0.00 1.20 0.00 0.00 173.24 175.06 1mvz s LEU 39 N 0.88 0.13 0.27 0.00 0.20 -0.57 -5.00 118.68 114.58 1mvz s LEU 39 Ca -0.06 0.96 0.12 0.00 0.69 0.00 0.00 54.13 55.83 1mvz s LEU 39 Cb -0.08 1.69 -0.05 0.00 -0.43 0.00 0.00 46.19 47.32 1mvz s LEU 39 CO -0.05 -0.19 -0.17 0.00 -0.29 0.00 0.00 176.35 175.65 1mvz s THR 41 N -2.43 4.19 -0.48 0.00 -1.32 -0.61 -4.96 115.64 110.04 1mvz s THR 41 Ca 0.30 1.51 -0.02 0.00 -1.21 0.00 0.00 61.69 62.27 1mvz s THR 41 Cb -0.05 -3.69 0.29 0.00 -1.51 0.00 0.00 72.50 67.54 1mvz s THR 41 CO 0.16 -0.16 2.08 -2.11 -2.21 0.00 0.00 174.62 172.38 1mvz n ARG 42 N -0.32 2.20 -0.09 7.08 1.85 -1.26 -4.63 116.66 121.49 1mvz n ARG 42 Ca 0.06 -2.32 0.00 0.00 -1.00 0.00 0.00 57.85 54.59 1mvz n ARG 42 Cb 0.52 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 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 -0.11 0.00 -4.55 2.89 2.88 -1.26 -5.13 113.62 108.34 1mvz n SER 43 Ca 0.44 -0.08 -0.34 0.00 -1.33 0.00 0.00 58.87 57.56 1mvz n SER 43 Cb 0.59 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 1mvz n SER 43 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1mvz s PHE 44 N -3.24 3.08 0.41 0.66 -0.12 -1.26 -2.44 117.98 115.08 1mvz s PHE 44 Ca 0.00 -0.15 -0.24 0.00 -0.05 0.00 0.00 56.93 56.49 1mvz s PHE 44 Cb 0.00 -1.95 -0.09 0.00 -0.63 0.00 0.00 43.02 40.36 1mvz s PHE 44 CO 0.00 0.08 1.09 -1.25 -0.05 0.00 0.00 175.22 175.09 1mvz s PRO 45 N 0.15 4.06 -1.15 1.99 0.04 -1.26 -5.05 135.00 133.78 1mvz s PRO 45 Ca 0.00 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1mvz s PRO 45 Cb -0.13 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 31.92 1mvz s PRO 45 CO 0.02 -0.26 1.69 -1.25 0.04 0.00 0.00 177.00 177.24 1mvz s PRO 46 N -2.53 3.52 0.02 0.56 0.04 -1.02 -4.84 135.00 130.74 1mvz s PRO 46 Ca 0.59 -1.43 0.02 0.00 0.04 0.00 0.00 61.00 60.22 1mvz s PRO 46 Cb -0.24 -5.40 -0.04 0.00 0.04 0.00 0.00 34.50 28.87 1mvz s PRO 46 CO 0.30 -2.57 0.02 1.14 0.04 0.00 0.00 177.00 175.93 1mvz s GLN 47 N 5.04 2.81 0.09 4.56 -2.07 -1.26 -4.92 119.66 123.90 1mvz s GLN 47 Ca 0.55 -0.63 0.08 0.00 -1.82 0.00 0.00 55.36 53.54 1mvz s GLN 47 Cb 0.01 -2.69 -0.04 0.00 -1.09 0.00 0.00 33.01 29.20 1mvz s GLN 47 CO 0.02 0.61 -0.18 0.00 -1.32 0.00 0.00 175.29 174.42 1mvz s ARG 49 N -1.88 1.62 0.24 0.00 0.52 -0.26 -1.26 118.95 117.93 1mvz s ARG 49 Ca 0.17 -1.61 0.05 0.00 -0.52 0.00 0.00 55.73 53.82 1mvz s ARG 49 Cb -0.11 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1mvz s ARG 49 CO 0.08 0.37 0.36 0.00 0.02 0.00 0.00 175.30 176.14 1mvz n TYR 51 N -1.42 0.00 -2.15 0.00 4.19 0.21 -4.63 117.16 113.36 1mvz n TYR 51 Ca -0.09 -0.38 -0.33 0.00 3.31 0.00 0.00 57.90 60.41 1mvz n TYR 51 Cb 0.57 0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.67 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 -1.05 5.82 -0.15 2.98 1.47 -1.17 -4.66 116.67 119.91 1mvz s ASP 52 Ca 0.08 1.91 -0.05 0.00 1.18 0.00 0.00 52.55 55.67 1mvz s ASP 52 Cb 0.09 -2.55 -0.03 0.00 -0.34 0.00 0.00 42.92 40.09 1mvz s ASP 52 CO -0.04 -1.14 0.01 -0.63 0.68 0.00 0.00 175.17 174.05 1mvz s ILE 53 N -2.24 4.34 0.00 2.11 -1.09 -1.26 -4.10 121.20 118.95 1mvz s ILE 53 Ca 0.66 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1mvz s ILE 53 Cb -0.18 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1mvz s ILE 53 CO 0.32 0.51 0.00 0.35 -1.23 0.00 0.00 174.94 174.89 1mvz n THR 54 N 3.17 0.00 -1.62 2.92 -2.24 0.27 -4.99 114.28 111.80 1mvz n THR 54 Ca -0.17 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1mvz n THR 54 Cb 0.53 0.00 0.03 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 -1.34 0.59 -3.03 3.42 4.64 -1.26 -0.97 116.55 118.60 1mvz n ASP 55 Ca 0.00 -2.13 -0.11 0.00 -1.38 0.00 0.00 54.79 51.17 1mvz n ASP 55 Cb 0.00 -0.22 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1mvz n ASP 55 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1mvz s PHE 56 N -0.67 0.39 0.07 -0.67 -0.12 -1.26 -4.77 117.98 110.95 1mvz s PHE 56 Ca 0.07 -0.94 0.05 0.00 -0.05 0.00 0.00 56.93 56.07 1mvz s PHE 56 Cb 0.06 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1mvz s PHE 56 CO 0.01 -1.44 -0.06 0.00 -0.05 0.00 0.00 175.22 173.67 1mvz s TYR 58 N -1.17 3.49 0.95 0.00 2.02 -1.26 -5.10 117.35 116.27 1mvz s TYR 58 Ca 0.21 0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 57.15 1mvz s TYR 58 Cb -0.11 -1.85 0.16 0.00 -0.40 0.00 0.00 41.96 39.76 1mvz s TYR 58 CO 0.13 0.47 1.10 -1.25 -1.57 0.00 0.00 175.55 174.43 1mvz s PRO 59 N -2.89 0.79 0.34 -1.71 0.04 -1.26 -4.16 135.00 126.15 1mvz s PRO 59 Ca 0.38 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1mvz s PRO 59 Cb -0.12 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 1mvz s PRO 59 CO 0.27 -2.65 1.39 -1.13 0.04 0.00 0.00 177.00 174.93 1mvz n SER 60 N -4.20 3.20 -4.28 6.66 3.41 -1.22 -1.04 113.62 116.15 1mvz n SER 60 Ca 0.08 1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 59.74 1mvz n SER 60 Cb 0.54 -1.54 0.06 0.00 -0.26 0.00 0.00 64.21 63.01 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88