#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr4 n GLU 2 N 0.00 -4.73 -3.10 5.56 4.71 0.59 -4.68 120.64 118.99 1mr4 n GLU 2 Ca 0.00 0.79 -0.39 0.00 -0.01 0.00 0.00 57.16 57.55 1mr4 n GLU 2 Cb 0.00 -5.56 -0.06 0.00 -1.01 0.00 0.00 31.44 24.81 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mr4 s LYS 4 N -0.96 4.40 -0.15 0.00 1.02 -1.26 -0.65 119.74 122.13 1mr4 s LYS 4 Ca 0.33 0.83 -0.14 0.00 0.02 0.00 0.00 55.97 57.02 1mr4 s LYS 4 Cb -0.21 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1mr4 s LYS 4 CO 0.23 0.01 0.40 0.99 -0.92 0.00 0.00 175.35 176.06 1mr4 s THR 5 N 0.99 -0.00 0.19 2.17 2.01 -0.70 -5.01 115.64 115.29 1mr4 s THR 5 Ca 0.36 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 1mr4 s THR 5 Cb -0.17 -0.56 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1mr4 s THR 5 CO 0.16 0.00 1.47 -1.83 -0.69 0.00 0.00 174.62 173.73 1mr4 s GLU 6 N 0.21 4.27 -0.74 4.92 1.03 -1.26 -1.79 118.70 125.34 1mr4 s GLU 6 Ca -0.00 2.26 -0.26 0.00 0.03 0.00 0.00 54.97 57.00 1mr4 s GLU 6 Cb -0.03 -3.16 -0.03 0.00 -0.80 0.00 0.00 34.13 30.11 1mr4 s GLU 6 CO 0.01 -0.48 1.90 0.45 -1.33 0.00 0.00 175.26 175.81 1mr4 s SER 7 N 0.79 5.21 0.38 0.83 0.15 0.14 -4.74 113.70 116.46 1mr4 s SER 7 Ca 0.64 -0.11 0.25 0.00 0.70 0.00 0.00 55.95 57.44 1mr4 s SER 7 Cb -0.41 -2.54 0.67 0.00 -1.71 0.00 0.00 66.02 62.02 1mr4 s SER 7 CO 0.36 -2.54 1.72 0.78 1.20 0.00 0.00 173.24 174.76 1mr4 h ASN 8 N 13.35 0.00 0.89 5.45 2.35 -1.90 -2.96 115.58 132.77 1mr4 h ASN 8 Ca -0.10 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 1mr4 h ASN 8 Cb 1.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 1mr4 h ASN 8 CO 1.21 0.00 -0.76 0.71 -1.65 0.00 0.00 177.43 176.94 1mr4 h THR 9 N 0.00 1.47 -3.40 2.81 1.35 -1.86 -3.42 112.91 109.85 1mr4 h THR 9 Ca 0.00 -2.68 -0.57 0.00 -0.55 0.00 0.00 66.41 62.61 1mr4 h THR 9 Cb 0.81 2.47 -0.06 0.00 -1.73 0.00 0.00 68.15 69.65 1mr4 h THR 9 CO 0.00 0.75 1.03 0.12 -0.25 0.00 0.00 175.52 177.17 1mr4 s PHE 10 N -3.14 2.52 -0.57 4.73 5.36 -1.12 -4.93 117.98 120.83 1mr4 s PHE 10 Ca 0.00 0.69 -0.05 0.00 -0.96 0.00 0.00 56.93 56.61 1mr4 s PHE 10 Cb 0.11 -4.35 -0.03 0.00 -0.34 0.00 0.00 43.02 38.41 1mr4 s PHE 10 CO 0.78 -1.78 2.96 -0.35 -1.46 0.00 0.00 175.22 175.37 1mr4 n PRO 11 N 8.01 2.77 -3.23 10.12 -0.04 -1.26 -4.90 135.00 146.47 1mr4 n PRO 11 Ca 0.15 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1mr4 n PRO 11 Cb 0.48 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mr4 n GLY 12 N 1.70 -1.37 3.74 0.55 0.00 -1.26 -5.13 105.19 103.41 1mr4 n GLY 12 Ca 0.52 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1mr4 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mr4 s ILE 13 N -2.59 4.13 -0.08 -0.61 1.01 -1.26 -4.78 121.20 117.02 1mr4 s ILE 13 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 1mr4 s ILE 13 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1mr4 s ILE 13 CO 0.00 0.34 1.49 0.00 0.00 0.00 0.00 174.94 176.77 1mr4 n ILE 15 N 5.30 0.00 -4.61 0.00 2.08 -1.26 -4.75 119.36 116.12 1mr4 n ILE 15 Ca 0.16 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.14 1mr4 n ILE 15 Cb 0.43 -0.30 -0.11 0.00 -0.75 0.00 0.00 39.64 38.91 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1mr4 s THR 16 N -1.51 3.41 0.01 1.39 -4.23 -1.26 -5.04 115.64 108.41 1mr4 s THR 16 Ca 0.00 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 59.49 1mr4 s THR 16 Cb 0.00 -2.43 -0.18 0.00 1.34 0.00 0.00 72.50 71.23 1mr4 s THR 16 CO 0.00 0.47 1.32 0.50 -0.54 0.00 0.00 174.62 176.37 1mr4 h LYS 17 N 4.83 -0.19 -0.47 3.99 1.63 -1.99 -3.08 116.57 121.29 1mr4 h LYS 17 Ca -0.48 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.42 1mr4 h LYS 17 Cb 1.16 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.74 1mr4 h LYS 17 CO 0.52 0.14 -0.33 -1.35 -3.45 0.00 0.00 179.45 174.97 1mr4 h PRO 18 N -0.55 -0.21 -0.26 1.90 0.11 -1.96 0.47 132.00 131.49 1mr4 h PRO 18 Ca -0.02 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1mr4 h PRO 18 Cb 0.42 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1mr4 h PRO 18 CO 0.03 -0.14 0.09 -1.35 -0.21 0.00 0.00 178.00 176.42 1mr4 h PRO 19 N -0.22 0.41 -0.63 1.05 0.11 -2.01 -2.09 132.00 128.62 1mr4 h PRO 19 Ca 0.19 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1mr4 h PRO 19 Cb 0.54 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 1mr4 h PRO 19 CO -0.59 0.46 0.35 0.00 -0.21 0.00 0.00 178.00 178.01 1mr4 h ARG 21 N 0.85 -0.29 0.00 0.00 2.43 0.07 -2.48 114.38 114.96 1mr4 h ARG 21 Ca 0.22 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1mr4 h ARG 21 Cb 0.04 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1mr4 h ARG 21 CO -0.04 -0.19 -0.16 1.57 -1.51 0.00 0.00 179.97 179.65 1mr4 h LYS 22 N -0.30 0.00 -0.63 0.20 -0.00 -1.31 -1.18 116.57 113.34 1mr4 h LYS 22 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.57 1mr4 h LYS 22 Cb 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.44 1mr4 h LYS 22 CO 0.04 0.16 0.20 0.00 -0.00 0.00 0.00 179.45 179.84 1mr4 h ALA 23 N 1.84 0.83 -0.55 0.07 0.00 -1.10 0.11 119.26 120.46 1mr4 h ALA 23 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1mr4 h ALA 23 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1mr4 h ALA 23 CO 0.02 0.50 0.17 0.00 0.00 0.00 0.00 179.25 179.95 1mr4 h ILE 25 N 0.77 1.12 -0.63 0.00 2.04 -0.67 -1.80 117.51 118.33 1mr4 h ILE 25 Ca 0.18 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1mr4 h ILE 25 Cb 0.28 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1mr4 h ILE 25 CO -0.01 0.16 0.17 0.28 0.00 0.00 0.00 178.15 178.75 1mr4 h SER 26 N 0.19 0.92 -0.15 1.72 0.02 -0.17 -3.44 113.55 112.64 1mr4 h SER 26 Ca 0.04 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1mr4 h SER 26 Cb 0.22 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1mr4 h SER 26 CO 0.01 0.88 0.00 1.21 -1.14 0.00 0.00 176.83 177.79 1mr4 n GLU 27 N -4.26 2.77 -0.80 3.45 0.00 -0.71 -4.94 120.64 116.15 1mr4 n GLU 27 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.16 1mr4 n GLU 27 Cb 0.24 0.00 0.24 0.00 0.00 0.00 0.00 31.44 31.91 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1mr4 n LYS 28 N 0.00 3.12 0.00 5.31 3.00 -1.26 -4.88 118.16 123.45 1mr4 n LYS 28 Ca 0.00 -2.36 0.00 0.00 -0.00 0.00 0.00 58.31 55.95 1mr4 n LYS 28 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 35.03 33.02 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1mr4 n PHE 29 N -0.05 0.00 0.00 5.64 3.72 -1.00 -3.90 117.46 121.86 1mr4 n PHE 29 Ca 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1mr4 n PHE 29 Cb 1.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.70 1mr4 n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mr4 n THR 30 N 0.00 0.00 -4.13 4.37 5.66 -0.92 -4.41 114.28 114.85 1mr4 n THR 30 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1mr4 n THR 30 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mr4 s ASP 31 N -0.64 0.08 0.13 1.09 2.15 -1.15 -4.66 116.67 113.67 1mr4 s ASP 31 Ca 0.00 -1.22 -0.25 0.00 0.43 0.00 0.00 52.55 51.51 1mr4 s ASP 31 Cb 0.00 0.44 0.07 0.00 -0.30 0.00 0.00 42.92 43.13 1mr4 s ASP 31 CO 0.00 -0.93 0.82 -0.83 -0.17 0.00 0.00 175.17 174.06 1mr4 s GLY 32 N -3.10 -0.36 0.12 2.66 0.00 -1.26 -0.28 107.32 105.09 1mr4 s GLY 32 Ca 0.32 0.40 -0.26 0.00 0.00 0.00 0.00 44.72 45.19 1mr4 s GLY 32 CO 0.10 0.12 0.90 -2.38 0.00 0.00 0.00 173.10 171.84 1mr4 s HIS 33 N -3.44 -0.22 0.10 1.90 -3.43 -0.41 -4.60 115.29 105.19 1mr4 s HIS 33 Ca 0.07 -0.05 -0.22 0.00 -0.80 0.00 0.00 55.06 54.06 1mr4 s HIS 33 Cb -0.02 0.61 -0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1mr4 s HIS 33 CO -0.04 -0.78 0.68 0.00 -2.00 0.00 0.00 174.74 172.60 1mr4 s SER 35 N -0.88 7.29 -0.03 0.00 0.15 -1.08 -4.89 113.70 114.26 1mr4 s SER 35 Ca 0.33 2.23 0.01 0.00 0.70 0.00 0.00 55.95 59.22 1mr4 s SER 35 Cb -0.21 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.55 1mr4 s SER 35 CO 0.22 -0.12 0.81 2.29 1.20 0.00 0.00 173.24 177.63 1mr4 n LYS 36 N 1.17 1.28 0.00 5.44 2.85 -1.26 -3.72 118.16 123.92 1mr4 n LYS 36 Ca -0.01 -0.30 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 1mr4 n LYS 36 Cb 0.45 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1mr4 n ILE 37 N 0.17 0.00 -3.97 0.58 2.08 -1.26 -5.09 119.36 111.87 1mr4 n ILE 37 Ca 0.04 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.99 1mr4 n ILE 37 Cb 0.45 -0.34 -0.07 0.00 -0.75 0.00 0.00 39.64 38.93 1mr4 n ILE 37 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mr4 s LEU 38 N -4.89 4.18 -0.54 1.39 2.01 -1.24 -4.99 118.68 114.60 1mr4 s LEU 38 Ca 0.00 0.36 -0.05 0.00 0.01 0.00 0.00 54.13 54.45 1mr4 s LEU 38 Cb 0.00 -2.02 -0.06 0.00 0.01 0.00 0.00 46.19 44.13 1mr4 s LEU 38 CO 0.00 0.37 3.03 -2.11 1.01 0.00 0.00 176.35 178.65 1mr4 n ARG 39 N 2.24 2.70 -4.22 1.70 1.85 -1.26 -3.23 116.66 116.44 1mr4 n ARG 39 Ca -0.19 -2.03 -0.17 0.00 -1.00 0.00 0.00 57.85 54.45 1mr4 n ARG 39 Cb 0.54 -2.23 -0.11 0.00 -1.05 0.00 0.00 32.46 29.61 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1mr4 s ARG 40 N -0.34 0.97 -0.42 2.89 1.81 -1.26 -2.64 118.95 119.95 1mr4 s ARG 40 Ca 0.62 -1.20 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 1mr4 s ARG 40 Cb 0.31 -0.82 0.03 0.00 -0.45 0.00 0.00 34.95 34.02 1mr4 s ARG 40 CO -0.11 0.15 1.12 0.00 -0.68 0.00 0.00 175.30 175.78 1mr4 s LEU 42 N 4.20 5.09 0.14 0.00 1.02 0.29 -0.68 118.68 128.74 1mr4 s LEU 42 Ca 0.47 -1.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.34 1mr4 s LEU 42 Cb -0.09 -2.39 -0.07 0.00 0.02 0.00 0.00 46.19 43.66 1mr4 s LEU 42 CO 0.26 -1.02 0.58 0.00 0.02 0.00 0.00 176.35 176.18 1mr4 s THR 44 N -1.41 3.81 -0.09 0.00 -4.23 0.61 -1.72 115.64 112.61 1mr4 s THR 44 Ca 0.37 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1mr4 s THR 44 Cb -0.16 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 1mr4 s THR 44 CO 0.19 0.40 -0.07 -1.59 -0.54 0.00 0.00 174.62 173.00 1mr4 s LYS 45 N 1.42 3.03 -0.73 3.99 -2.85 0.17 -2.17 119.74 122.59 1mr4 s LYS 45 Ca 0.05 -0.57 -0.20 0.00 -1.00 0.00 0.00 55.97 54.25 1mr4 s LYS 45 Cb -0.15 -2.66 -0.16 0.00 -2.06 0.00 0.00 37.83 32.81 1mr4 s LYS 45 CO 0.00 0.51 1.91 -0.35 0.10 0.00 0.00 175.35 177.52 1mr4 n PRO 46 N 2.70 1.46 0.00 1.78 -0.04 -1.25 -0.16 135.00 139.48 1mr4 n PRO 46 Ca -0.18 -1.73 0.08 0.00 -0.04 0.00 0.00 63.50 61.63 1mr4 n PRO 46 Cb 0.53 -2.82 0.46 0.00 -0.04 0.00 0.00 33.50 31.62 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46