#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 1.69 -3.52 -0.14 4.71 0.15 -4.86 120.64 118.68 1mr4 n GLU 2 Ca 0.00 -2.28 -0.10 0.00 -0.01 0.00 0.00 57.16 54.77 1mr4 n GLU 2 Cb 0.00 -1.36 -0.09 0.00 -1.01 0.00 0.00 31.44 28.98 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 2.55 4.13 -0.07 0.00 2.36 -1.26 -0.52 119.74 126.93 1mr4 s LYS 4 Ca 0.05 0.42 -0.07 0.00 -2.55 0.00 0.00 55.97 53.82 1mr4 s LYS 4 Cb -0.14 -3.61 0.02 0.00 -1.05 0.00 0.00 37.83 33.05 1mr4 s LYS 4 CO -0.14 -0.28 0.20 0.99 1.55 0.00 0.00 175.35 177.68 1mr4 s THR 5 N 2.05 -0.00 0.28 3.43 2.01 -0.03 -5.02 115.64 118.37 1mr4 s THR 5 Ca 0.24 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 1mr4 s THR 5 Cb -0.16 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 71.97 1mr4 s THR 5 CO 0.09 0.00 1.38 -1.83 -0.69 0.00 0.00 174.62 173.57 1mr4 s GLU 6 N 0.15 4.31 -1.25 4.92 4.04 -1.26 -1.52 118.70 128.09 1mr4 s GLU 6 Ca -0.00 2.26 -0.20 0.00 0.04 0.00 0.00 54.97 57.06 1mr4 s GLU 6 Cb -0.02 -3.10 -0.00 0.00 0.02 0.00 0.00 34.13 31.03 1mr4 s GLU 6 CO -0.00 -0.32 1.83 0.45 -1.84 0.00 0.00 175.26 175.38 1mr4 n SER 7 N 1.68 4.08 0.23 0.83 2.88 0.41 -4.69 113.62 119.04 1mr4 n SER 7 Ca 0.04 -2.82 0.06 0.00 -1.33 0.00 0.00 58.87 54.82 1mr4 n SER 7 Cb 0.41 -1.74 0.52 0.00 -0.75 0.00 0.00 64.21 62.65 1mr4 n SER 7 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1mr4 h ASN 8 N 8.49 0.00 0.36 -3.46 -0.73 -1.89 -0.71 115.58 117.64 1mr4 h ASN 8 Ca 0.35 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.48 1mr4 h ASN 8 Cb 0.89 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.48 1mr4 h ASN 8 CO 1.37 0.17 -0.20 0.74 -0.37 0.00 0.00 177.43 179.14 1mr4 h THR 9 N 0.00 0.85 -3.37 -3.57 2.02 -1.94 -3.43 112.91 103.47 1mr4 h THR 9 Ca -0.00 -0.76 -0.52 0.00 0.77 0.00 0.00 66.41 65.90 1mr4 h THR 9 Cb 0.30 1.45 0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1mr4 h THR 9 CO 0.02 0.19 0.63 0.12 0.37 0.00 0.00 175.52 176.86 1mr4 s PHE 10 N -4.26 3.30 -0.13 3.16 5.36 -0.27 -4.88 117.98 120.26 1mr4 s PHE 10 Ca -0.03 1.25 -0.01 0.00 -0.96 0.00 0.00 56.93 57.18 1mr4 s PHE 10 Cb 0.14 -3.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1mr4 s PHE 10 CO 0.64 -1.73 1.11 -2.30 -1.46 0.00 0.00 175.22 171.48 1mr4 n PRO 11 N 2.77 0.35 0.00 10.12 -0.02 -1.26 -4.84 135.00 142.11 1mr4 n PRO 11 Ca 0.06 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1mr4 n PRO 11 Cb 0.43 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mr4 n GLY 12 N 3.65 0.39 3.69 -1.23 0.00 -1.26 -4.91 105.19 105.52 1mr4 n GLY 12 Ca 0.08 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 1.45 -2.27 -0.61 5.41 -1.26 -4.53 119.36 117.56 1mr4 n ILE 13 Ca 0.00 -0.36 -0.42 0.00 1.00 0.00 0.00 62.75 62.96 1mr4 n ILE 13 Cb 0.00 -1.53 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 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 4.97 1.53 -4.03 0.00 2.08 -1.26 -4.88 119.36 117.78 1mr4 n ILE 15 Ca 0.14 -0.39 -0.11 0.00 0.56 0.00 0.00 62.75 62.94 1mr4 n ILE 15 Cb 0.44 -1.81 -0.04 0.00 -0.75 0.00 0.00 39.64 37.48 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 -2.50 0.00 -0.02 1.39 -4.23 -1.26 -5.08 115.64 103.94 1mr4 s THR 16 Ca -0.36 -1.47 -0.25 0.00 -1.18 0.00 0.00 61.69 58.42 1mr4 s THR 16 Cb 0.12 -2.45 -0.20 0.00 1.34 0.00 0.00 72.50 71.32 1mr4 s THR 16 CO 0.53 0.00 1.28 0.50 -0.54 0.00 0.00 174.62 176.39 1mr4 h LYS 17 N 2.20 0.03 -0.51 3.99 3.11 -1.99 -3.15 116.57 120.24 1mr4 h LYS 17 Ca -0.28 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.64 1mr4 h LYS 17 Cb 1.25 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.37 1mr4 h LYS 17 CO 0.38 0.51 -0.35 -1.35 -2.81 0.00 0.00 179.45 175.83 1mr4 h PRO 18 N -0.44 -0.21 -0.73 1.90 0.11 -1.99 0.15 132.00 130.80 1mr4 h PRO 18 Ca 0.00 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1mr4 h PRO 18 Cb 0.50 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1mr4 h PRO 18 CO 0.00 -0.14 0.20 -1.35 -0.21 0.00 0.00 178.00 176.51 1mr4 h PRO 19 N -0.21 1.14 -0.25 1.05 0.11 -1.99 -0.62 132.00 131.23 1mr4 h PRO 19 Ca 0.20 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1mr4 h PRO 19 Cb 0.55 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1mr4 h PRO 19 CO -0.62 0.99 0.17 0.00 -0.21 0.00 0.00 178.00 178.32 1mr4 h ARG 21 N 0.34 0.86 -0.69 0.00 2.47 -0.53 -2.47 114.38 114.36 1mr4 h ARG 21 Ca 0.09 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.67 1mr4 h ARG 21 Cb -0.03 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 1mr4 h ARG 21 CO -0.02 0.63 0.21 -0.22 0.56 0.00 0.00 179.97 181.13 1mr4 h LYS 22 N 0.86 1.09 -0.47 0.04 1.63 -0.62 -2.01 116.57 117.07 1mr4 h LYS 22 Ca 0.23 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1mr4 h LYS 22 Cb -0.00 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1mr4 h LYS 22 CO -0.04 0.94 0.30 0.00 -3.45 0.00 0.00 179.45 177.20 1mr4 h ALA 23 N 1.10 0.60 -0.66 5.00 0.00 -0.35 0.11 119.26 125.06 1mr4 h ALA 23 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mr4 h ALA 23 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1mr4 h ALA 23 CO -0.01 0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.66 1mr4 h ILE 25 N 0.90 1.28 -0.59 0.00 2.04 -0.87 -2.54 117.51 117.74 1mr4 h ILE 25 Ca 0.24 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1mr4 h ILE 25 Cb -0.03 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1mr4 h ILE 25 CO -0.04 0.43 0.13 0.28 0.00 0.00 0.00 178.15 178.95 1mr4 h SER 26 N 0.29 0.86 0.00 1.72 0.02 -0.30 -3.43 113.55 112.71 1mr4 h SER 26 Ca 0.03 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1mr4 h SER 26 Cb 0.74 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1mr4 h SER 26 CO 0.06 0.84 0.00 1.21 -1.14 0.00 0.00 176.83 177.80 1mr4 n GLU 27 N -4.26 3.22 -1.16 3.45 0.00 -0.94 -4.96 120.64 116.00 1mr4 n GLU 27 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.01 1mr4 n GLU 27 Cb 0.24 0.00 0.16 0.00 0.00 0.00 0.00 31.44 31.84 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 2.26 0.00 5.31 4.76 -1.26 -4.93 118.16 124.30 1mr4 n LYS 28 Ca 0.00 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.25 1mr4 n LYS 28 Cb 0.00 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1mr4 n PHE 29 N -1.08 0.00 0.00 2.13 3.01 -0.98 -4.13 117.46 116.42 1mr4 n PHE 29 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.97 1mr4 n PHE 29 Cb 1.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.73 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 -4.39 4.37 5.66 -1.12 -4.59 114.28 114.21 1mr4 n THR 30 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1mr4 n THR 30 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1mr4 n THR 30 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1mr4 s ASP 31 N -1.14 3.60 0.13 1.09 1.01 -1.05 -4.76 116.67 115.55 1mr4 s ASP 31 Ca 0.00 -0.79 -0.25 0.00 0.71 0.00 0.00 52.55 52.22 1mr4 s ASP 31 Cb 0.00 -0.35 0.07 0.00 1.01 0.00 0.00 42.92 43.65 1mr4 s ASP 31 CO 0.00 0.12 0.79 -0.83 0.21 0.00 0.00 175.17 175.47 1mr4 s GLY 32 N -2.63 -0.39 -0.19 0.21 0.00 -1.26 0.10 107.32 103.15 1mr4 s GLY 32 Ca 0.21 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.05 1mr4 s GLY 32 CO 0.11 0.13 1.09 -2.38 0.00 0.00 0.00 173.10 172.05 1mr4 s HIS 33 N -3.48 -0.28 0.03 1.90 -3.43 -0.09 -4.84 115.29 105.09 1mr4 s HIS 33 Ca 0.07 0.49 -0.23 0.00 -0.80 0.00 0.00 55.06 54.59 1mr4 s HIS 33 Cb -0.02 0.46 -0.06 0.00 -1.43 0.00 0.00 32.58 31.54 1mr4 s HIS 33 CO -0.05 -0.26 0.68 0.00 -2.00 0.00 0.00 174.74 173.12 1mr4 s SER 35 N -0.19 5.35 -0.23 0.00 0.15 -1.04 -4.89 113.70 112.86 1mr4 s SER 35 Ca 0.35 2.78 0.02 0.00 0.70 0.00 0.00 55.95 59.80 1mr4 s SER 35 Cb -0.20 -2.64 0.33 0.00 -1.71 0.00 0.00 66.02 61.81 1mr4 s SER 35 CO 0.20 -1.52 1.49 0.29 1.20 0.00 0.00 173.24 174.91 1mr4 n LYS 36 N -0.92 1.64 0.02 5.44 4.01 -1.26 -3.88 118.16 123.22 1mr4 n LYS 36 Ca 0.10 -1.53 0.00 0.00 -0.51 0.00 0.00 58.31 56.36 1mr4 n LYS 36 Cb 0.45 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1mr4 n ILE 37 N -0.31 0.00 -3.61 -0.18 2.08 -1.26 -5.08 119.36 111.00 1mr4 n ILE 37 Ca 0.31 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 63.25 1mr4 n ILE 37 Cb 1.07 -0.27 -0.07 0.00 -0.75 0.00 0.00 39.64 39.62 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 -5.23 4.29 -1.44 1.39 1.43 -1.25 -4.99 118.68 112.88 1mr4 s LEU 38 Ca 0.00 0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 53.55 1mr4 s LEU 38 Cb 0.00 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 43.94 1mr4 s LEU 38 CO 0.00 0.19 2.59 -2.11 0.23 0.00 0.00 176.35 177.25 1mr4 n ARG 39 N 3.09 4.22 -4.02 1.70 1.85 -1.26 -3.21 116.66 119.03 1mr4 n ARG 39 Ca -0.14 -2.98 -0.09 0.00 -1.00 0.00 0.00 57.85 53.64 1mr4 n ARG 39 Cb 0.52 -2.71 -0.11 0.00 -1.05 0.00 0.00 32.46 29.11 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 0.20 0.42 -0.25 2.89 1.81 -1.26 -1.08 118.95 121.68 1mr4 s ARG 40 Ca 0.60 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.53 1mr4 s ARG 40 Cb 0.18 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1mr4 s ARG 40 CO -0.08 -0.05 1.10 0.00 -0.68 0.00 0.00 175.30 175.60 1mr4 s LEU 42 N 3.47 5.79 0.30 0.00 1.02 0.24 -0.44 118.68 129.05 1mr4 s LEU 42 Ca 0.47 -1.48 -0.09 0.00 0.02 0.00 0.00 54.13 53.05 1mr4 s LEU 42 Cb -0.15 -2.21 -0.07 0.00 0.02 0.00 0.00 46.19 43.78 1mr4 s LEU 42 CO 0.11 -0.75 0.62 0.00 0.02 0.00 0.00 176.35 176.36 1mr4 s THR 44 N -2.03 0.81 0.26 0.00 -4.23 0.11 -0.85 115.64 109.71 1mr4 s THR 44 Ca 0.48 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.85 1mr4 s THR 44 Cb -0.11 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 1mr4 s THR 44 CO 0.25 0.28 0.20 -1.59 -0.54 0.00 0.00 174.62 173.22 1mr4 s LYS 45 N 1.79 2.89 0.34 3.99 -2.85 0.32 -2.51 119.74 123.72 1mr4 s LYS 45 Ca 0.04 -1.09 -0.28 0.00 -1.00 0.00 0.00 55.97 53.64 1mr4 s LYS 45 Cb -0.13 -2.55 -0.10 0.00 -2.06 0.00 0.00 37.83 33.00 1mr4 s LYS 45 CO -0.07 0.37 1.25 -1.25 0.10 0.00 0.00 175.35 175.75 1mr4 s PRO 46 N -3.86 4.30 0.00 1.78 0.04 -1.26 0.35 135.00 136.35 1mr4 s PRO 46 Ca 0.34 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1mr4 s PRO 46 Cb -0.08 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1mr4 s PRO 46 CO 0.25 -0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.10