#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 -5.44 -3.15 2.89 4.07 0.97 -4.74 120.64 115.25 1mr4 n GLU 2 Ca 0.00 0.70 -0.39 0.00 -0.06 0.00 0.00 57.16 57.41 1mr4 n GLU 2 Cb 0.00 -5.27 -0.06 0.00 -0.06 0.00 0.00 31.44 26.05 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mr4 s LYS 4 N -1.03 4.35 -0.18 0.00 3.01 -1.26 -1.60 119.74 123.03 1mr4 s LYS 4 Ca 0.32 0.66 -0.11 0.00 -1.01 0.00 0.00 55.97 55.83 1mr4 s LYS 4 Cb -0.21 -3.47 0.06 0.00 -1.01 0.00 0.00 37.83 33.20 1mr4 s LYS 4 CO 0.22 0.03 0.44 0.99 0.51 0.00 0.00 175.35 177.55 1mr4 s THR 5 N 0.97 -0.02 0.21 2.17 2.01 -0.30 -4.97 115.64 115.71 1mr4 s THR 5 Ca 0.31 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 1mr4 s THR 5 Cb -0.16 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1mr4 s THR 5 CO 0.13 0.03 1.39 -1.83 -0.69 0.00 0.00 174.62 173.65 1mr4 s GLU 6 N 1.23 4.32 -0.26 4.92 -1.05 -1.26 -0.56 118.70 126.04 1mr4 s GLU 6 Ca -0.08 2.18 -0.29 0.00 -0.15 0.00 0.00 54.97 56.63 1mr4 s GLU 6 Cb -0.07 -3.16 -0.01 0.00 -0.44 0.00 0.00 34.13 30.45 1mr4 s GLU 6 CO -0.11 -0.36 1.41 0.45 0.95 0.00 0.00 175.26 177.60 1mr4 s SER 7 N 0.46 6.59 0.28 0.83 0.15 0.16 -4.86 113.70 117.31 1mr4 s SER 7 Ca 0.59 1.39 0.14 0.00 0.70 0.00 0.00 55.95 58.77 1mr4 s SER 7 Cb -0.39 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 61.71 1mr4 s SER 7 CO 0.39 -1.12 1.57 0.78 1.20 0.00 0.00 173.24 176.07 1mr4 h ASN 8 N 9.71 0.00 0.28 5.45 -0.26 -1.91 -2.89 115.58 125.95 1mr4 h ASN 8 Ca -0.29 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.38 1mr4 h ASN 8 Cb 1.12 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.37 1mr4 h ASN 8 CO 1.02 0.58 -0.30 0.74 -1.06 0.00 0.00 177.43 178.40 1mr4 h THR 9 N 0.00 1.23 -2.78 2.81 2.02 -1.92 -3.43 112.91 110.84 1mr4 h THR 9 Ca -0.01 -1.09 -0.53 0.00 0.77 0.00 0.00 66.41 65.56 1mr4 h THR 9 Cb 1.19 1.55 0.03 0.00 -1.74 0.00 0.00 68.15 69.18 1mr4 h THR 9 CO 0.08 0.31 0.92 0.12 0.37 0.00 0.00 175.52 177.32 1mr4 s PHE 10 N -4.35 2.77 0.32 3.16 5.36 -1.09 -4.90 117.98 119.24 1mr4 s PHE 10 Ca -0.03 0.51 0.07 0.00 -0.96 0.00 0.00 56.93 56.52 1mr4 s PHE 10 Cb 0.15 -3.92 0.89 0.00 -0.34 0.00 0.00 43.02 39.80 1mr4 s PHE 10 CO 0.72 -3.52 1.60 -1.00 -1.46 0.00 0.00 175.22 171.57 1mr4 h PRO 11 N 7.55 0.08 0.00 10.12 0.13 -1.88 -3.47 132.00 144.54 1mr4 h PRO 11 Ca -0.42 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1mr4 h PRO 11 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mr4 h PRO 11 CO 0.92 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1mr4 n GLY 12 N -1.40 0.52 3.67 1.56 0.00 -1.26 -5.13 105.19 103.15 1mr4 n GLY 12 Ca 0.26 0.37 -0.45 0.00 0.00 0.00 0.00 46.02 46.20 1mr4 n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mr4 n ILE 13 N 0.00 0.39 -2.43 -0.61 -0.00 -1.26 -4.52 119.36 110.93 1mr4 n ILE 13 Ca 0.00 -0.10 -0.42 0.00 -0.00 0.00 0.00 62.75 62.23 1mr4 n ILE 13 Cb 0.00 -1.52 -0.03 0.00 -0.00 0.00 0.00 39.64 38.10 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mr4 n ILE 15 N 4.16 0.00 -4.06 0.00 2.08 -1.26 -4.86 119.36 115.41 1mr4 n ILE 15 Ca 0.10 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.29 1mr4 n ILE 15 Cb 0.46 -0.72 -0.11 0.00 -0.75 0.00 0.00 39.64 38.53 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 -1.89 0.47 0.03 1.39 -4.23 -1.26 -5.07 115.64 105.09 1mr4 s THR 16 Ca 0.00 -1.18 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 1mr4 s THR 16 Cb 0.00 -0.71 -0.15 0.00 1.34 0.00 0.00 72.50 72.98 1mr4 s THR 16 CO 0.00 -0.48 1.39 0.50 -0.54 0.00 0.00 174.62 175.49 1mr4 h LYS 17 N 4.29 0.24 -0.51 3.99 3.11 -1.97 -3.00 116.57 122.72 1mr4 h LYS 17 Ca -0.35 -0.10 0.09 0.00 -2.81 0.00 0.00 60.65 57.48 1mr4 h LYS 17 Cb 1.20 -0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 32.32 1mr4 h LYS 17 CO 0.45 0.58 -0.37 -1.35 -2.81 0.00 0.00 179.45 175.95 1mr4 h PRO 18 N -0.10 -0.21 -0.30 1.90 0.11 -1.97 0.67 132.00 132.10 1mr4 h PRO 18 Ca 0.03 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1mr4 h PRO 18 Cb 0.50 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1mr4 h PRO 18 CO 0.02 -0.14 -0.25 -1.35 -0.21 0.00 0.00 178.00 176.06 1mr4 h PRO 19 N -0.22 0.58 -0.12 1.05 0.11 -2.00 -1.68 132.00 129.72 1mr4 h PRO 19 Ca 0.19 -0.23 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 19 Cb 0.56 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1mr4 h PRO 19 CO -0.63 0.78 0.07 0.00 -0.21 0.00 0.00 178.00 178.01 1mr4 h ARG 21 N 0.10 0.80 -0.65 0.00 2.43 0.50 -1.48 114.38 116.08 1mr4 h ARG 21 Ca 0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1mr4 h ARG 21 Cb 0.06 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1mr4 h ARG 21 CO -0.01 0.53 0.34 -0.22 -1.51 0.00 0.00 179.97 179.10 1mr4 h LYS 22 N 0.82 0.92 -0.53 0.20 1.63 -0.66 0.22 116.57 119.18 1mr4 h LYS 22 Ca 0.27 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1mr4 h LYS 22 Cb 0.07 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1mr4 h LYS 22 CO -0.08 0.71 0.07 0.00 -3.45 0.00 0.00 179.45 176.70 1mr4 h ALA 23 N 1.16 0.71 -0.59 5.00 0.00 -0.45 -0.95 119.26 124.13 1mr4 h ALA 23 Ca 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mr4 h ALA 23 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1mr4 h ALA 23 CO -0.03 0.47 0.38 0.00 0.00 0.00 0.00 179.25 180.07 1mr4 h ILE 25 N 0.78 1.27 0.00 0.00 2.04 -0.77 -2.57 117.51 118.26 1mr4 h ILE 25 Ca 0.22 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1mr4 h ILE 25 Cb -0.06 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1mr4 h ILE 25 CO -0.06 0.45 -0.15 0.28 0.00 0.00 0.00 178.15 178.66 1mr4 h SER 26 N 0.79 0.00 0.00 1.72 0.02 -0.76 -3.42 113.55 111.91 1mr4 h SER 26 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1mr4 h SER 26 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1mr4 h SER 26 CO 0.05 0.15 0.00 1.21 -1.14 0.00 0.00 176.83 177.11 1mr4 n GLU 27 N -4.20 0.00 -2.75 3.45 0.00 -0.73 -5.02 120.64 111.39 1mr4 n GLU 27 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.98 1mr4 n GLU 27 Cb 0.23 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.68 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1mr4 n LYS 28 N 0.00 1.71 0.00 5.31 5.02 -1.23 -5.06 118.16 123.91 1mr4 n LYS 28 Ca 0.00 -3.64 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 1mr4 n LYS 28 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mr4 n PHE 29 N -0.09 0.00 0.00 2.13 3.01 -1.00 -4.67 117.46 116.84 1mr4 n PHE 29 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1mr4 n PHE 29 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1mr4 n PHE 29 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mr4 n THR 30 N 0.00 0.00 -4.15 4.37 5.66 0.50 -4.77 114.28 115.88 1mr4 n THR 30 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1mr4 n THR 30 Cb 0.00 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mr4 n ASP 31 N -1.93 0.37 -3.61 1.09 -0.08 -1.12 -4.77 116.55 106.50 1mr4 n ASP 31 Ca 0.00 -1.84 0.02 0.00 -1.51 0.00 0.00 54.79 51.46 1mr4 n ASP 31 Cb 0.00 0.53 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 1mr4 n ASP 31 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mr4 s GLY 32 N -1.93 -0.43 -0.01 0.27 0.00 -1.26 -0.97 107.32 102.99 1mr4 s GLY 32 Ca 0.12 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.31 1mr4 s GLY 32 CO 0.08 0.37 1.28 -2.38 0.00 0.00 0.00 173.10 172.45 1mr4 s HIS 33 N -2.28 0.01 -0.01 1.90 -3.43 -0.38 -4.69 115.29 106.41 1mr4 s HIS 33 Ca 0.15 -0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 54.05 1mr4 s HIS 33 Cb 0.06 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.72 1mr4 s HIS 33 CO -0.05 -0.30 0.68 0.00 -2.00 0.00 0.00 174.74 173.07 1mr4 s SER 35 N 0.17 7.03 -0.14 0.00 0.15 -0.96 -4.84 113.70 115.11 1mr4 s SER 35 Ca 0.35 2.34 0.01 0.00 0.70 0.00 0.00 55.95 59.36 1mr4 s SER 35 Cb -0.19 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.69 1mr4 s SER 35 CO 0.19 -0.32 1.35 2.29 1.20 0.00 0.00 173.24 177.95 1mr4 n LYS 36 N 0.86 1.38 0.01 5.44 -0.00 -1.26 -3.69 118.16 120.91 1mr4 n LYS 36 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 58.31 57.41 1mr4 n LYS 36 Cb 0.45 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1mr4 n ILE 37 N 0.09 0.00 -4.90 0.58 2.08 -1.26 -5.09 119.36 110.86 1mr4 n ILE 37 Ca 0.18 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.17 1mr4 n ILE 37 Cb 0.82 -0.43 -0.13 0.00 -0.75 0.00 0.00 39.64 39.15 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 -5.18 2.63 -0.51 1.39 1.43 -1.24 -5.02 118.68 112.18 1mr4 s LEU 38 Ca 0.00 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1mr4 s LEU 38 Cb 0.00 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1mr4 s LEU 38 CO 0.00 0.33 3.08 -1.14 0.23 0.00 0.00 176.35 178.85 1mr4 n ARG 39 N 2.18 2.65 -4.46 1.70 0.63 -1.26 -3.26 116.66 114.83 1mr4 n ARG 39 Ca -0.17 -1.94 -0.24 0.00 -0.92 0.00 0.00 57.85 54.58 1mr4 n ARG 39 Cb 0.52 -2.22 -0.10 0.00 0.45 0.00 0.00 32.46 31.12 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1mr4 s ARG 40 N -0.17 1.81 -0.72 -0.14 1.81 -1.26 -0.46 118.95 119.81 1mr4 s ARG 40 Ca 0.63 -1.78 -0.26 0.00 -1.72 0.00 0.00 55.73 52.59 1mr4 s ARG 40 Cb 0.31 -1.80 0.01 0.00 -0.45 0.00 0.00 34.95 33.02 1mr4 s ARG 40 CO -0.10 0.27 1.52 0.00 -0.68 0.00 0.00 175.30 176.30 1mr4 s LEU 42 N 7.01 3.26 0.15 0.00 2.96 0.36 0.35 118.68 132.78 1mr4 s LEU 42 Ca 0.48 -0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 1mr4 s LEU 42 Cb -0.09 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 1mr4 s LEU 42 CO 0.14 -1.75 0.63 0.00 -1.32 0.00 0.00 176.35 174.05 1mr4 s THR 44 N -1.35 4.15 0.02 0.00 -4.23 -0.14 -1.15 115.64 112.93 1mr4 s THR 44 Ca 0.37 -0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 1mr4 s THR 44 Cb -0.18 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 1mr4 s THR 44 CO 0.20 0.49 -0.10 -1.59 -0.54 0.00 0.00 174.62 173.09 1mr4 s LYS 45 N 0.28 0.70 -0.87 3.99 0.00 -0.63 -0.37 119.74 122.84 1mr4 s LYS 45 Ca -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 55.97 55.36 1mr4 s LYS 45 Cb -0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 37.83 37.00 1mr4 s LYS 45 CO 0.02 0.16 2.05 -0.35 0.00 0.00 0.00 175.35 177.23 1mr4 n PRO 46 N 2.26 1.96 0.00 1.78 -0.04 -1.26 -0.02 135.00 139.68 1mr4 n PRO 46 Ca -0.17 -1.43 0.15 0.00 -0.04 0.00 0.00 63.50 62.01 1mr4 n PRO 46 Cb 0.56 -2.45 0.83 0.00 -0.04 0.00 0.00 33.50 32.40 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46