#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 0.24 0.20 -0.78 1.02 -1.26 -5.12 119.74 114.03 1mvz s LYS 2 Ca 0.00 -0.34 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1mvz s LYS 2 Cb 0.00 -0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.31 1mvz s LYS 2 CO 0.00 0.00 0.63 -1.12 -0.92 0.00 0.00 175.35 173.94 1mvz s SER 3 N -0.75 -0.47 0.95 2.83 0.01 -1.26 -5.18 113.70 109.83 1mvz s SER 3 Ca -0.07 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 1mvz s SER 3 Cb -0.05 0.64 0.16 0.00 0.21 0.00 0.00 66.02 66.97 1mvz s SER 3 CO -0.00 -1.08 1.11 0.42 0.41 0.00 0.00 173.24 174.09 1mvz s THR 4 N -3.80 2.14 -1.30 1.44 -4.23 -1.26 -4.92 115.64 103.70 1mvz s THR 4 Ca 0.04 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 1mvz s THR 4 Cb -0.02 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 1mvz s THR 4 CO -0.07 -0.06 2.25 1.07 -0.54 0.00 0.00 174.62 177.27 1mvz n THR 5 N -3.95 3.15 -0.92 3.99 5.66 -1.26 -4.95 114.28 116.00 1mvz n THR 5 Ca 0.06 -2.57 -0.29 0.00 -3.05 0.00 0.00 64.05 58.20 1mvz n THR 5 Cb 0.58 -2.52 0.18 0.00 -1.55 0.00 0.00 70.33 67.02 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 3.48 2.29 -1.01 1.09 -4.23 -1.26 -3.14 115.64 112.87 1mvz s THR 6 Ca 0.52 0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.88 1mvz s THR 6 Cb 0.14 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.54 1mvz s THR 6 CO -0.04 -0.12 1.95 0.00 -0.54 0.00 0.00 174.62 175.87 1mvz s ALA 7 N -2.75 1.68 0.00 3.99 0.00 -1.26 -4.21 121.76 119.21 1mvz s ALA 7 Ca 0.66 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1mvz s ALA 7 Cb -0.21 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1mvz s ALA 7 CO 0.60 -5.02 0.00 0.00 0.00 0.00 0.00 175.76 171.33 1mvz n ASP 10 N -1.39 -0.17 -4.53 0.00 9.92 -1.26 -0.70 116.55 118.41 1mvz n ASP 10 Ca -0.06 0.34 -0.42 0.00 -0.53 0.00 0.00 54.79 54.12 1mvz n ASP 10 Cb 0.53 0.33 -0.08 0.00 -0.64 0.00 0.00 41.12 41.26 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1mvz s PHE 11 N -2.00 3.14 -0.78 1.24 0.08 -1.26 -4.92 117.98 113.48 1mvz s PHE 11 Ca 0.00 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.11 1mvz s PHE 11 Cb 0.00 -3.06 0.28 0.00 -0.57 0.00 0.00 43.02 39.67 1mvz s PHE 11 CO 0.00 -0.67 1.04 0.00 -0.10 0.00 0.00 175.22 175.49 1mvz s PRO 13 N -2.79 2.73 0.19 0.00 0.04 -1.25 -4.88 135.00 129.04 1mvz s PRO 13 Ca 0.38 0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 1mvz s PRO 13 Cb 0.14 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.70 1mvz s PRO 13 CO 0.00 -1.12 0.54 0.00 0.04 0.00 0.00 177.00 176.47 1mvz s THR 15 N -3.84 1.79 -1.69 0.00 -4.23 -0.63 -4.98 115.64 102.05 1mvz s THR 15 Ca 0.07 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.74 1mvz s THR 15 Cb -0.01 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.47 1mvz s THR 15 CO -0.05 0.00 1.19 -2.11 -0.54 0.00 0.00 174.62 173.11 1mvz n ARG 16 N -4.33 2.02 -2.00 3.99 1.85 -1.26 -4.71 116.66 112.22 1mvz n ARG 16 Ca 0.12 -1.88 -0.29 0.00 -1.00 0.00 0.00 57.85 54.80 1mvz n ARG 16 Cb 0.59 -1.35 0.20 0.00 -1.05 0.00 0.00 32.46 30.85 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 -1.18 2.96 -0.23 2.89 1.04 -1.26 -4.97 113.70 112.94 1mvz s SER 17 Ca 0.26 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 1mvz s SER 17 Cb 0.16 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.27 1mvz s SER 17 CO 0.22 -2.82 0.04 -0.51 0.98 0.00 0.00 173.24 171.15 1mvz s ILE 18 N -3.88 0.75 0.74 -1.02 1.10 -1.26 -2.53 121.20 115.10 1mvz s ILE 18 Ca 0.76 -0.88 -0.12 0.00 -0.51 0.00 0.00 60.65 59.90 1mvz s ILE 18 Cb -0.02 -1.31 0.04 0.00 0.15 0.00 0.00 42.46 41.32 1mvz s ILE 18 CO 0.53 -0.32 1.09 -2.16 -2.11 0.00 0.00 174.94 171.97 1mvz s PRO 19 N 1.73 2.42 0.15 3.50 0.04 -1.26 -5.12 135.00 136.47 1mvz s PRO 19 Ca 0.01 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1mvz s PRO 19 Cb -0.17 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1mvz s PRO 19 CO -0.13 -1.52 1.00 -1.25 0.04 0.00 0.00 177.00 175.14 1mvz s PRO 20 N -4.71 4.70 -0.46 0.56 0.04 -1.05 -5.01 135.00 129.07 1mvz s PRO 20 Ca 0.62 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 1mvz s PRO 20 Cb -0.18 -3.33 0.10 0.00 0.04 0.00 0.00 34.50 31.14 1mvz s PRO 20 CO 0.52 0.23 0.32 -0.65 0.04 0.00 0.00 177.00 177.47 1mvz s GLN 21 N -0.32 2.55 -0.02 4.56 -1.52 -1.26 -4.29 119.66 119.35 1mvz s GLN 21 Ca 0.46 -1.65 0.01 0.00 -1.95 0.00 0.00 55.36 52.24 1mvz s GLN 21 Cb -0.25 -3.90 -0.03 0.00 -0.22 0.00 0.00 33.01 28.60 1mvz s GLN 21 CO 0.32 -1.11 -0.01 0.00 -0.25 0.00 0.00 175.29 174.23 1mvz s GLN 23 N -1.34 1.65 -0.15 0.00 -0.21 -0.81 -1.68 119.66 117.13 1mvz s GLN 23 Ca 0.17 -1.95 -0.05 0.00 0.02 0.00 0.00 55.36 53.56 1mvz s GLN 23 Cb -0.11 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 1mvz s GLN 23 CO 0.08 -0.59 0.01 0.00 -2.12 0.00 0.00 175.29 172.67 1mvz n THR 25 N 3.29 0.00 -2.11 0.00 -2.24 -0.72 -4.51 114.28 107.99 1mvz n THR 25 Ca -0.17 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1mvz n THR 25 Cb 0.53 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1mvz n THR 25 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1mvz s ASP 26 N -0.16 6.77 -0.21 3.42 -4.77 -1.26 -4.95 116.67 115.50 1mvz s ASP 26 Ca 0.00 2.63 -0.03 0.00 -3.30 0.00 0.00 52.55 51.85 1mvz s ASP 26 Cb 0.00 -2.64 -0.01 0.00 -1.09 0.00 0.00 42.92 39.19 1mvz s ASP 26 CO 0.00 -0.57 -0.06 -0.69 0.70 0.00 0.00 175.17 174.55 1mvz s VAL 27 N -0.64 3.27 0.00 2.11 1.01 -1.26 -4.55 120.40 120.35 1mvz s VAL 27 Ca 0.53 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1mvz s VAL 27 Cb -0.40 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1mvz s VAL 27 CO 0.48 0.44 0.00 0.54 0.00 0.00 0.00 175.10 176.56 1mvz n ARG 28 N 4.69 0.00 0.00 2.72 5.12 -0.31 -4.94 116.66 123.94 1mvz n ARG 28 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1mvz n ARG 28 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 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 1.91 -1.58 5.56 2.13 -1.26 -1.34 120.64 126.06 1mvz n GLU 29 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1mvz n GLU 29 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.78 1mvz n GLU 29 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1mvz n LYS 30 N 0.00 0.84 -1.96 5.31 2.85 -1.26 -4.25 118.16 119.69 1mvz n LYS 30 Ca 0.00 0.34 -0.38 0.00 -1.05 0.00 0.00 58.31 57.22 1mvz n LYS 30 Cb 0.00 -2.28 0.02 0.00 -0.65 0.00 0.00 35.03 32.12 1mvz n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mvz s HIS 32 N -1.37 1.07 -0.36 0.00 -3.43 -1.26 -4.89 115.29 105.06 1mvz s HIS 32 Ca 0.67 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 1mvz s HIS 32 Cb -0.37 -3.53 0.00 0.00 -1.43 0.00 0.00 32.58 27.25 1mvz s HIS 32 CO 0.44 -3.42 0.62 0.45 -2.00 0.00 0.00 174.74 170.84 1mvz n SER 33 N -4.43 1.72 -2.80 7.38 2.88 -1.19 -3.38 113.62 113.80 1mvz n SER 33 Ca 0.12 -1.50 -0.10 0.00 -1.33 0.00 0.00 58.87 56.05 1mvz n SER 33 Cb 0.59 -0.38 0.06 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.44 -0.51 -3.33 -1.46 0.00 -1.26 -4.71 120.51 109.69 1mvz n ALA 34 Ca 0.00 -1.73 -0.26 0.00 0.00 0.00 0.00 53.44 51.45 1mvz n ALA 34 Cb 0.31 -1.16 -0.17 0.00 0.00 0.00 0.00 19.45 18.43 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 3.66 0.45 -4.44 0.00 4.01 -1.26 -4.91 118.16 115.66 1mvz n LYS 36 Ca -0.21 0.15 -0.35 0.00 -0.51 0.00 0.00 58.31 57.39 1mvz n LYS 36 Cb 0.52 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.65 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1mvz s SER 37 N -6.36 5.07 -0.08 4.39 0.15 -1.26 -5.01 113.70 110.60 1mvz s SER 37 Ca -0.27 0.09 -0.24 0.00 0.70 0.00 0.00 55.95 56.23 1mvz s SER 37 Cb 0.09 -1.40 0.05 0.00 -1.71 0.00 0.00 66.02 63.05 1mvz s SER 37 CO 0.39 0.37 0.56 0.00 1.20 0.00 0.00 173.24 175.76 1mvz s LEU 39 N -0.86 -0.07 0.22 0.00 2.96 -0.65 -4.89 118.68 115.39 1mvz s LEU 39 Ca -0.09 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1mvz s LEU 39 Cb -0.02 2.16 -0.05 0.00 0.50 0.00 0.00 46.19 48.78 1mvz s LEU 39 CO 0.06 -0.80 -0.13 0.00 -1.32 0.00 0.00 176.35 174.16 1mvz s THR 41 N -2.98 4.19 -1.91 0.00 -4.23 -0.14 -4.93 115.64 105.66 1mvz s THR 41 Ca 0.24 1.01 0.13 0.00 -1.18 0.00 0.00 61.69 61.88 1mvz s THR 41 Cb -0.00 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.65 1mvz s THR 41 CO 0.08 -0.64 1.30 -2.11 -0.54 0.00 0.00 174.62 172.71 1mvz n ARG 42 N -1.92 2.05 -1.38 3.99 1.85 -1.26 -4.23 116.66 115.76 1mvz n ARG 42 Ca 0.08 -1.53 -0.30 0.00 -1.00 0.00 0.00 57.85 55.10 1mvz n ARG 42 Cb 0.53 -1.37 0.21 0.00 -1.05 0.00 0.00 32.46 30.79 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1mvz s SER 43 N -0.96 1.93 -0.20 2.89 1.04 -1.26 -4.94 113.70 112.20 1mvz s SER 43 Ca 0.28 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 57.30 1mvz s SER 43 Cb 0.15 -0.84 0.05 0.00 0.10 0.00 0.00 66.02 65.49 1mvz s SER 43 CO 0.18 -3.50 -0.04 0.12 0.98 0.00 0.00 173.24 170.99 1mvz s PHE 44 N -3.29 1.94 0.54 5.02 5.36 -1.26 -1.98 117.98 124.30 1mvz s PHE 44 Ca 0.71 -1.36 -0.19 0.00 -0.96 0.00 0.00 56.93 55.12 1mvz s PHE 44 Cb -0.09 -1.40 -0.06 0.00 -0.34 0.00 0.00 43.02 41.13 1mvz s PHE 44 CO 0.55 -0.69 1.12 -1.25 -1.46 0.00 0.00 175.22 173.49 1mvz s PRO 45 N 1.55 3.38 0.59 10.12 0.04 -1.26 -5.14 135.00 144.28 1mvz s PRO 45 Ca -0.02 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 1mvz s PRO 45 Cb -0.17 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 45 CO -0.07 -0.82 1.06 -1.25 0.04 0.00 0.00 177.00 175.96 1mvz s PRO 46 N -3.32 3.31 -0.14 0.56 0.04 -0.84 -5.00 135.00 129.61 1mvz s PRO 46 Ca 0.72 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1mvz s PRO 46 Cb -0.23 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 46 CO 0.27 -0.82 0.36 -1.14 0.04 0.00 0.00 177.00 175.70 1mvz s GLN 47 N -4.06 0.40 0.17 4.56 2.00 -1.26 -4.94 119.66 116.53 1mvz s GLN 47 Ca 0.64 0.54 0.06 0.00 -2.00 0.00 0.00 55.36 54.60 1mvz s GLN 47 Cb -0.16 0.15 -0.04 0.00 0.80 0.00 0.00 33.01 33.76 1mvz s GLN 47 CO 0.37 -0.07 0.07 0.00 -0.50 0.00 0.00 175.29 175.15 1mvz s ARG 49 N -3.02 0.72 -0.29 0.00 3.00 -0.52 -1.16 118.95 117.67 1mvz s ARG 49 Ca 0.29 0.05 -0.12 0.00 -1.00 0.00 0.00 55.73 54.95 1mvz s ARG 49 Cb -0.10 0.33 -0.04 0.00 0.00 0.00 0.00 34.95 35.14 1mvz s ARG 49 CO 0.21 -0.19 0.21 0.00 0.00 0.00 0.00 175.30 175.53 1mvz n TYR 51 N 5.09 1.71 -1.88 0.00 9.36 0.27 -3.96 117.16 127.75 1mvz n TYR 51 Ca -0.13 -1.40 -0.41 0.00 3.32 0.00 0.00 57.90 59.28 1mvz n TYR 51 Cb 0.51 -0.58 -0.01 0.00 -0.63 0.00 0.00 39.34 38.64 1mvz n TYR 51 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1mvz s ASP 52 N -1.86 6.45 -0.35 2.98 3.68 -1.04 -4.57 116.67 121.96 1mvz s ASP 52 Ca 0.49 2.94 -0.10 0.00 2.13 0.00 0.00 52.55 58.00 1mvz s ASP 52 Cb 0.41 -2.66 0.02 0.00 -1.45 0.00 0.00 42.92 39.25 1mvz s ASP 52 CO 0.07 -0.80 0.17 -0.63 0.13 0.00 0.00 175.17 174.11 1mvz s ILE 53 N -0.86 4.43 0.09 4.11 -1.09 -1.26 -4.38 121.20 122.24 1mvz s ILE 53 Ca 0.54 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1mvz s ILE 53 Cb -0.45 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1mvz s ILE 53 CO 0.57 -0.14 -0.03 0.42 -1.23 0.00 0.00 174.94 174.53 1mvz s THR 54 N 1.54 0.41 -0.12 2.92 -4.23 -0.67 -4.96 115.64 110.52 1mvz s THR 54 Ca 0.02 -1.88 0.27 0.00 -1.18 0.00 0.00 61.69 58.92 1mvz s THR 54 Cb -0.19 -1.71 0.34 0.00 1.34 0.00 0.00 72.50 72.29 1mvz s THR 54 CO 0.06 -0.83 1.79 0.44 -0.54 0.00 0.00 174.62 175.54 1mvz h ASP 55 N 3.00 0.00 -3.80 3.99 5.19 -1.83 0.71 116.42 123.68 1mvz h ASP 55 Ca -0.35 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.90 1mvz h ASP 55 Cb 1.16 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 1mvz h ASP 55 CO 0.64 0.05 -0.10 2.22 -3.12 0.00 0.00 179.24 178.93 1mvz n PHE 56 N -3.13 -0.42 -3.87 4.55 1.16 -1.26 -4.75 117.46 109.73 1mvz n PHE 56 Ca 0.02 -0.64 -0.10 0.00 -1.87 0.00 0.00 57.45 54.86 1mvz n PHE 56 Cb 0.43 -0.10 -0.09 0.00 -1.61 0.00 0.00 39.48 38.11 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 -2.74 3.53 1.13 0.00 2.02 -1.26 -5.08 117.35 114.95 1mvz s TYR 58 Ca -0.04 1.20 -0.17 0.00 -0.37 0.00 0.00 57.07 57.69 1mvz s TYR 58 Cb -0.00 -2.61 0.25 0.00 -0.40 0.00 0.00 41.96 39.20 1mvz s TYR 58 CO -0.05 -0.40 1.14 -1.25 -1.57 0.00 0.00 175.55 173.42 1mvz s PRO 59 N -4.49 -0.63 0.40 -1.71 0.04 -1.26 -4.24 135.00 123.11 1mvz s PRO 59 Ca 0.54 -0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1mvz s PRO 59 Cb -0.10 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1mvz s PRO 59 CO 0.41 -3.33 1.38 -1.54 0.04 0.00 0.00 177.00 173.96 1mvz s SER 60 N -3.97 6.26 0.88 6.66 1.04 -1.26 -1.38 113.70 121.94 1mvz s SER 60 Ca 0.70 2.82 -0.00 0.00 0.48 0.00 0.00 55.95 59.95 1mvz s SER 60 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1mvz s SER 60 CO 0.56 -0.90 0.03 0.00 0.98 0.00 0.00 173.24 173.90