#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 0.01 0.84 -0.78 2.20 -1.26 -5.07 119.74 115.67 1mvz s LYS 2 Ca 0.00 0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 56.03 1mvz s LYS 2 Cb 0.00 -1.68 0.22 0.00 -1.51 0.00 0.00 37.83 34.85 1mvz s LYS 2 CO 0.00 -3.03 0.49 -1.13 -0.36 0.00 0.00 175.35 171.32 1mvz n SER 3 N -4.39 -3.22 -3.14 1.43 3.41 -1.26 -5.08 113.62 101.37 1mvz n SER 3 Ca 0.04 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1mvz n SER 3 Cb 0.57 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1mvz n SER 3 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mvz n THR 4 N -4.59 0.00 -1.11 6.66 -2.24 -1.26 -4.83 114.28 106.91 1mvz n THR 4 Ca 0.08 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.60 1mvz n THR 4 Cb 0.34 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1mvz n THR 4 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1mvz n THR 5 N 0.00 3.54 -1.25 4.28 5.66 -1.26 -4.92 114.28 120.33 1mvz n THR 5 Ca 0.00 -1.99 -0.30 0.00 -3.05 0.00 0.00 64.05 58.71 1mvz n THR 5 Cb 0.00 -2.30 0.21 0.00 -1.55 0.00 0.00 70.33 66.69 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 1.81 1.77 -0.17 1.09 -4.23 -1.26 -4.18 115.64 110.47 1mvz s THR 6 Ca 0.65 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.83 1mvz s THR 6 Cb 0.23 -2.58 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 1mvz s THR 6 CO -0.03 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.09 1mvz n ALA 7 N -4.43 1.22 -3.14 3.99 0.00 -1.26 -4.30 120.51 112.58 1mvz n ALA 7 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 1mvz n ALA 7 Cb 0.59 -2.64 -0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 -1.07 1.26 -3.79 0.00 2.03 -1.26 -0.20 116.55 113.52 1mvz n ASP 10 Ca -0.01 0.21 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 1mvz n ASP 10 Cb 0.43 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 1mvz n ASP 10 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1mvz s PHE 11 N -2.36 -0.17 -0.33 -0.67 5.36 -1.26 -4.78 117.98 113.77 1mvz s PHE 11 Ca -0.21 0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 1mvz s PHE 11 Cb 0.07 0.07 0.11 0.00 -0.34 0.00 0.00 43.02 42.93 1mvz s PHE 11 CO 0.27 -0.29 0.15 0.00 -1.46 0.00 0.00 175.22 173.90 1mvz s PRO 13 N 1.48 1.74 0.12 0.00 0.04 -1.14 -4.75 135.00 132.48 1mvz s PRO 13 Ca 0.12 0.51 0.06 0.00 0.04 0.00 0.00 61.00 61.74 1mvz s PRO 13 Cb -0.19 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1mvz s PRO 13 CO -0.20 -1.83 -0.15 0.00 0.04 0.00 0.00 177.00 174.86 1mvz s THR 15 N -1.89 4.80 -0.50 0.00 -4.23 0.10 -5.00 115.64 108.94 1mvz s THR 15 Ca 0.07 0.55 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 1mvz s THR 15 Cb -0.06 -3.84 0.50 0.00 1.34 0.00 0.00 72.50 70.44 1mvz s THR 15 CO 0.03 -0.88 1.76 0.54 -0.54 0.00 0.00 174.62 175.53 1mvz n ARG 16 N -2.21 2.67 -2.53 3.99 1.74 -1.26 -4.33 116.66 114.73 1mvz n ARG 16 Ca 0.03 -3.41 -0.24 0.00 -0.77 0.00 0.00 57.85 53.46 1mvz n ARG 16 Cb 0.54 -2.20 0.12 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.22 4.21 -0.33 0.55 1.04 -1.26 -4.98 113.70 110.72 1mvz s SER 17 Ca 0.58 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 1mvz s SER 17 Cb 0.47 -0.01 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1mvz s SER 17 CO 0.02 -1.96 0.11 -0.51 0.98 0.00 0.00 173.24 171.88 1mvz s ILE 18 N -3.22 1.00 0.60 -1.02 1.10 -1.26 -1.75 121.20 116.66 1mvz s ILE 18 Ca 0.67 -1.59 -0.15 0.00 -0.51 0.00 0.00 60.65 59.07 1mvz s ILE 18 Cb -0.05 -1.75 -0.03 0.00 0.15 0.00 0.00 42.46 40.78 1mvz s ILE 18 CO 0.45 -0.70 1.06 -2.16 -2.11 0.00 0.00 174.94 171.48 1mvz s PRO 19 N 1.43 3.26 0.25 3.50 0.04 -1.26 -5.13 135.00 137.09 1mvz s PRO 19 Ca 0.11 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1mvz s PRO 19 Cb -0.18 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1mvz s PRO 19 CO -0.21 -0.86 0.97 -1.25 0.04 0.00 0.00 177.00 175.70 1mvz s PRO 20 N -4.12 4.80 0.24 0.56 0.04 -0.72 -5.01 135.00 130.79 1mvz s PRO 20 Ca 0.64 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1mvz s PRO 20 Cb -0.16 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1mvz s PRO 20 CO 0.38 0.44 0.15 -0.65 0.04 0.00 0.00 177.00 177.36 1mvz s GLN 21 N -1.28 2.79 0.01 4.56 1.11 -1.26 -4.81 119.66 120.77 1mvz s GLN 21 Ca 0.42 -1.10 0.03 0.00 0.01 0.00 0.00 55.36 54.73 1mvz s GLN 21 Cb -0.27 -2.50 -0.01 0.00 -1.01 0.00 0.00 33.01 29.22 1mvz s GLN 21 CO 0.33 0.41 -0.11 0.00 0.01 0.00 0.00 175.29 175.93 1mvz s GLN 23 N -0.61 1.56 0.09 0.00 -0.21 -0.83 -1.63 119.66 118.03 1mvz s GLN 23 Ca 0.02 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 53.72 1mvz s GLN 23 Cb -0.05 0.36 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 1mvz s GLN 23 CO 0.00 -0.59 0.16 0.00 -2.12 0.00 0.00 175.29 172.74 1mvz n THR 25 N 0.22 0.00 -1.63 0.00 5.66 -0.78 -4.93 114.28 112.83 1mvz n THR 25 Ca -0.07 -0.14 -0.38 0.00 -3.05 0.00 0.00 64.05 60.42 1mvz n THR 25 Cb 0.52 1.02 0.06 0.00 -1.55 0.00 0.00 70.33 70.37 1mvz n THR 25 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mvz n ASP 26 N -1.27 0.98 -3.86 1.09 4.64 -1.23 -4.98 116.55 111.92 1mvz n ASP 26 Ca 0.03 0.81 -0.11 0.00 -1.38 0.00 0.00 54.79 54.14 1mvz n ASP 26 Cb 0.26 -1.42 -0.11 0.00 -1.04 0.00 0.00 41.12 38.82 1mvz n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mvz s VAL 27 N -1.49 0.06 0.00 5.18 1.01 -1.26 -4.51 120.40 119.38 1mvz s VAL 27 Ca 0.77 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1mvz s VAL 27 Cb -0.41 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1mvz s VAL 27 CO 0.46 -0.28 0.00 -1.14 0.00 0.00 0.00 175.10 174.14 1mvz n ARG 28 N 1.89 0.00 0.00 2.72 3.00 -0.59 -5.03 116.66 118.66 1mvz n ARG 28 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1mvz n ARG 28 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 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 0.00 -1.36 -0.14 4.07 -1.26 -1.72 120.64 120.23 1mvz n GLU 29 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1mvz n GLU 29 Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 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 2.29 0.63 5.31 -0.14 -1.26 -3.35 119.74 123.22 1mvz s LYS 30 Ca 0.00 1.30 -0.09 0.00 -1.36 0.00 0.00 55.97 55.82 1mvz s LYS 30 Cb 0.00 -1.89 -0.00 0.00 -1.68 0.00 0.00 37.83 34.25 1mvz s LYS 30 CO 0.00 -1.64 1.00 0.00 -0.76 0.00 0.00 175.35 173.95 1mvz s HIS 32 N -3.16 2.29 0.35 0.00 -3.43 -1.26 -4.89 115.29 105.20 1mvz s HIS 32 Ca 0.55 1.04 0.10 0.00 -0.80 0.00 0.00 55.06 55.96 1mvz s HIS 32 Cb -0.11 -3.25 0.86 0.00 -1.43 0.00 0.00 32.58 28.65 1mvz s HIS 32 CO 0.49 -2.58 1.82 1.03 -2.00 0.00 0.00 174.74 173.51 1mvz h SER 33 N -1.67 0.65 -0.49 7.38 0.87 -1.75 -1.48 113.55 117.06 1mvz h SER 33 Ca -0.52 0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 59.95 1mvz h SER 33 Cb 1.31 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 63.13 1mvz h SER 33 CO 0.58 0.26 0.11 0.00 -0.53 0.00 0.00 176.83 177.25 1mvz n ALA 34 N -2.41 4.06 -2.70 6.23 0.00 -1.26 -4.95 120.51 119.49 1mvz n ALA 34 Ca 0.21 -2.60 -0.39 0.00 0.00 0.00 0.00 53.44 50.67 1mvz n ALA 34 Cb 0.60 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 4.18 0.47 -4.06 0.00 4.81 -1.26 -4.90 118.16 117.39 1mvz n LYS 36 Ca -0.05 0.16 -0.34 0.00 -0.87 0.00 0.00 58.31 57.20 1mvz n LYS 36 Cb 0.51 -1.32 -0.10 0.00 0.02 0.00 0.00 35.03 34.14 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 -6.43 5.48 -0.13 3.14 0.15 -1.26 -4.99 113.70 109.65 1mvz s SER 37 Ca -0.28 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.27 1mvz s SER 37 Cb 0.09 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1mvz s SER 37 CO 0.41 0.17 0.37 0.00 1.20 0.00 0.00 173.24 175.39 1mvz s LEU 39 N 0.10 0.43 0.32 0.00 2.96 -0.39 -4.86 118.68 117.23 1mvz s LEU 39 Ca -0.01 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1mvz s LEU 39 Cb -0.03 1.80 -0.06 0.00 0.50 0.00 0.00 46.19 48.40 1mvz s LEU 39 CO 0.01 -0.81 -0.05 0.00 -1.32 0.00 0.00 176.35 174.18 1mvz s THR 41 N -2.90 5.05 -1.24 0.00 -1.32 -0.55 -4.98 115.64 109.70 1mvz s THR 41 Ca 0.32 0.21 0.11 0.00 -1.21 0.00 0.00 61.69 61.11 1mvz s THR 41 Cb 0.05 -3.64 0.44 0.00 -1.51 0.00 0.00 72.50 67.84 1mvz s THR 41 CO 0.14 -0.06 1.28 -2.11 -2.21 0.00 0.00 174.62 171.66 1mvz n ARG 42 N -0.15 2.69 -0.94 7.08 1.85 -1.26 -4.16 116.66 121.76 1mvz n ARG 42 Ca -0.01 -1.72 -0.29 0.00 -1.00 0.00 0.00 57.85 54.83 1mvz n ARG 42 Cb 0.52 -1.66 0.22 0.00 -1.05 0.00 0.00 32.46 30.49 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 -0.72 1.49 -0.25 2.89 0.01 -1.26 -4.89 113.70 110.97 1mvz s SER 43 Ca 0.31 1.09 0.03 0.00 1.31 0.00 0.00 55.95 58.68 1mvz s SER 43 Cb 0.20 -1.67 0.06 0.00 0.21 0.00 0.00 66.02 64.82 1mvz s SER 43 CO 0.14 -3.83 -0.10 0.12 0.41 0.00 0.00 173.24 169.99 1mvz s PHE 44 N -2.80 3.09 0.55 2.43 5.36 -1.26 -1.54 117.98 123.81 1mvz s PHE 44 Ca 0.68 -2.20 -0.18 0.00 -0.96 0.00 0.00 56.93 54.27 1mvz s PHE 44 Cb -0.18 -1.86 -0.06 0.00 -0.34 0.00 0.00 43.02 40.58 1mvz s PHE 44 CO 0.59 -0.86 1.05 -1.25 -1.46 0.00 0.00 175.22 173.30 1mvz s PRO 45 N 1.16 3.49 0.02 10.12 0.04 -1.26 -5.13 135.00 143.44 1mvz s PRO 45 Ca -0.08 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 1mvz s PRO 45 Cb -0.20 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1mvz s PRO 45 CO -0.05 -0.68 0.89 -1.25 0.04 0.00 0.00 177.00 175.95 1mvz s PRO 46 N -3.72 4.56 0.14 0.56 0.04 -0.59 -5.00 135.00 130.99 1mvz s PRO 46 Ca 0.65 1.27 0.08 0.00 0.04 0.00 0.00 61.00 63.04 1mvz s PRO 46 Cb -0.17 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1mvz s PRO 46 CO 0.30 0.08 -0.09 -0.65 0.04 0.00 0.00 177.00 176.68 1mvz s GLN 47 N 0.57 2.11 0.18 4.56 1.11 -1.26 -4.98 119.66 121.95 1mvz s GLN 47 Ca 0.46 -1.13 0.08 0.00 0.01 0.00 0.00 55.36 54.79 1mvz s GLN 47 Cb -0.21 -2.25 -0.04 0.00 -1.01 0.00 0.00 33.01 29.50 1mvz s GLN 47 CO 0.26 0.47 -0.07 0.00 0.01 0.00 0.00 175.29 175.96 1mvz s ARG 49 N -2.85 0.53 0.09 0.00 0.52 0.05 -1.54 118.95 115.76 1mvz s ARG 49 Ca 0.25 -0.09 -0.25 0.00 -0.52 0.00 0.00 55.73 55.13 1mvz s ARG 49 Cb -0.09 0.23 -0.06 0.00 0.52 0.00 0.00 34.95 35.55 1mvz s ARG 49 CO 0.16 -0.13 0.76 0.00 0.02 0.00 0.00 175.30 176.12 1mvz n TYR 51 N 2.33 0.00 -1.50 0.00 4.19 0.06 -4.76 117.16 117.48 1mvz n TYR 51 Ca -0.04 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.74 1mvz n TYR 51 Cb 0.50 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.87 1mvz n TYR 51 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1mvz n ASP 52 N -2.19 -0.09 -4.54 2.98 4.64 -0.04 -4.92 116.55 112.39 1mvz n ASP 52 Ca -0.10 1.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.97 1mvz n ASP 52 Cb 0.58 -1.18 -0.11 0.00 -1.04 0.00 0.00 41.12 39.37 1mvz n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1mvz s ILE 53 N -1.31 4.33 0.38 5.18 -1.09 -1.26 -4.69 121.20 122.74 1mvz s ILE 53 Ca 0.62 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.89 1mvz s ILE 53 Cb -0.64 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1mvz s ILE 53 CO 0.58 0.45 0.07 0.42 -1.23 0.00 0.00 174.94 175.23 1mvz s THR 54 N 0.62 1.10 -1.06 2.92 -4.23 -0.64 -4.99 115.64 109.35 1mvz s THR 54 Ca 0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 1mvz s THR 54 Cb -0.14 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.13 1mvz s THR 54 CO 0.02 0.00 1.48 -0.67 -0.54 0.00 0.00 174.62 174.91 1mvz n ASP 55 N -0.95 0.49 -4.14 3.99 4.64 -1.26 -0.24 116.55 119.07 1mvz n ASP 55 Ca -0.05 -0.23 -0.19 0.00 -1.38 0.00 0.00 54.79 52.94 1mvz n ASP 55 Cb 0.66 0.17 -0.09 0.00 -1.04 0.00 0.00 41.12 40.82 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 -2.96 1.65 -0.09 -0.67 -0.12 -1.26 -4.63 117.98 109.89 1mvz s PHE 56 Ca 0.12 -1.26 -0.00 0.00 -0.05 0.00 0.00 56.93 55.74 1mvz s PHE 56 Cb 0.18 -0.96 -0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1mvz s PHE 56 CO 0.67 -0.38 -0.06 0.00 -0.05 0.00 0.00 175.22 175.40 1mvz s TYR 58 N -0.47 3.12 0.76 0.00 1.51 -1.26 -5.06 117.35 115.95 1mvz s TYR 58 Ca 0.07 1.45 -0.12 0.00 -1.01 0.00 0.00 57.07 57.46 1mvz s TYR 58 Cb -0.12 -2.91 0.05 0.00 -0.11 0.00 0.00 41.96 38.88 1mvz s TYR 58 CO 0.02 -1.12 1.12 -1.25 -1.11 0.00 0.00 175.55 173.21 1mvz s PRO 59 N -4.68 2.19 0.55 -1.71 0.04 -1.26 -4.66 135.00 125.47 1mvz s PRO 59 Ca 0.60 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 1mvz s PRO 59 Cb -0.14 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1mvz s PRO 59 CO 0.48 -1.72 1.18 -1.54 0.04 0.00 0.00 177.00 175.44 1mvz s SER 60 N -2.93 5.55 0.19 6.66 1.04 -1.26 -2.44 113.70 120.50 1mvz s SER 60 Ca 0.65 2.32 0.00 0.00 0.48 0.00 0.00 55.95 59.39 1mvz s SER 60 Cb -0.20 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1mvz s SER 60 CO 0.51 -1.35 0.01 0.00 0.98 0.00 0.00 173.24 173.40