#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 -1.22 -3.07 -0.14 4.71 0.19 -4.66 120.64 116.46 1mr4 n GLU 2 Ca 0.00 0.59 -0.38 0.00 -0.01 0.00 0.00 57.16 57.36 1mr4 n GLU 2 Cb 0.00 -3.99 -0.06 0.00 -1.01 0.00 0.00 31.44 26.38 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 -1.60 4.12 -0.03 0.00 2.36 -1.26 -2.17 119.74 121.17 1mr4 s LYS 4 Ca 0.39 0.77 0.01 0.00 -2.55 0.00 0.00 55.97 54.60 1mr4 s LYS 4 Cb -0.19 -3.66 0.01 0.00 -1.05 0.00 0.00 37.83 32.94 1mr4 s LYS 4 CO 0.23 -0.52 -0.05 0.99 1.55 0.00 0.00 175.35 177.55 1mr4 s THR 5 N 2.77 0.49 0.21 3.43 2.01 0.12 -5.00 115.64 119.68 1mr4 s THR 5 Ca 0.32 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1mr4 s THR 5 Cb -0.15 -0.48 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 1mr4 s THR 5 CO 0.08 0.19 1.45 -0.70 -0.69 0.00 0.00 174.62 174.95 1mr4 s GLU 6 N 0.50 4.27 -0.80 4.92 2.56 -1.26 -1.57 118.70 127.33 1mr4 s GLU 6 Ca -0.06 2.27 -0.25 0.00 0.00 0.00 0.00 54.97 56.92 1mr4 s GLU 6 Cb -0.10 -3.14 -0.02 0.00 2.00 0.00 0.00 34.13 32.87 1mr4 s GLU 6 CO -0.00 -0.44 1.82 0.45 -0.56 0.00 0.00 175.26 176.52 1mr4 s SER 7 N 0.59 5.39 0.42 -1.70 0.15 -0.82 -4.77 113.70 112.96 1mr4 s SER 7 Ca 0.62 -0.36 0.22 0.00 0.70 0.00 0.00 55.95 57.12 1mr4 s SER 7 Cb -0.41 -2.55 0.88 0.00 -1.71 0.00 0.00 66.02 62.23 1mr4 s SER 7 CO 0.39 -2.43 1.82 -0.55 1.20 0.00 0.00 173.24 173.67 1mr4 h ASN 8 N 12.39 0.00 0.22 5.45 -1.07 -1.90 -2.85 115.58 127.83 1mr4 h ASN 8 Ca -0.05 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.15 1mr4 h ASN 8 Cb 1.07 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.31 1mr4 h ASN 8 CO 1.24 0.27 -0.67 0.74 0.07 0.00 0.00 177.43 179.07 1mr4 h THR 9 N 0.00 1.37 -3.63 6.14 2.02 -1.93 -3.45 112.91 113.43 1mr4 h THR 9 Ca -0.00 -2.05 -0.52 0.00 0.77 0.00 0.00 66.41 64.62 1mr4 h THR 9 Cb 0.76 2.03 0.03 0.00 -1.74 0.00 0.00 68.15 69.22 1mr4 h THR 9 CO 0.03 0.62 0.56 0.12 0.37 0.00 0.00 175.52 177.23 1mr4 s PHE 10 N -3.71 3.37 -0.16 3.16 5.36 -1.08 -4.90 117.98 120.02 1mr4 s PHE 10 Ca -0.06 1.47 -0.03 0.00 -0.96 0.00 0.00 56.93 57.34 1mr4 s PHE 10 Cb 0.11 -3.46 -0.12 0.00 -0.34 0.00 0.00 43.02 39.20 1mr4 s PHE 10 CO 0.83 -1.25 2.09 -0.35 -1.46 0.00 0.00 175.22 175.09 1mr4 n PRO 11 N 1.86 1.20 0.00 10.12 -0.04 -1.26 -4.88 135.00 141.99 1mr4 n PRO 11 Ca 0.02 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1mr4 n PRO 11 Cb 0.44 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.94 1.22 3.58 0.55 0.00 -1.26 -4.92 105.19 107.30 1mr4 n GLY 12 Ca 0.26 -0.69 -0.56 0.00 0.00 0.00 0.00 46.02 45.02 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 0.03 -2.16 -0.61 -0.00 -1.26 -4.10 119.36 111.26 1mr4 n ILE 13 Ca 0.00 -0.01 -0.41 0.00 -0.00 0.00 0.00 62.75 62.33 1mr4 n ILE 13 Cb 0.00 -0.55 -0.03 0.00 -0.00 0.00 0.00 39.64 39.06 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 2.33 1.46 -3.24 0.00 2.08 -1.26 -4.86 119.36 115.87 1mr4 n ILE 15 Ca 0.05 0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.46 1mr4 n ILE 15 Cb 0.42 -2.28 0.01 0.00 -0.75 0.00 0.00 39.64 37.04 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1mr4 n THR 16 N -4.54 0.00 0.06 1.39 -2.24 -1.26 -5.08 114.28 102.60 1mr4 n THR 16 Ca -0.16 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1mr4 n THR 16 Cb 0.42 0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 1mr4 n THR 16 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mr4 h LYS 17 N 0.00 -0.18 -0.27 -0.78 1.63 -1.98 -3.02 116.57 111.96 1mr4 h LYS 17 Ca -0.10 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1mr4 h LYS 17 Cb 0.36 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 1mr4 h LYS 17 CO 0.12 0.24 -0.38 -1.35 -3.45 0.00 0.00 179.45 174.64 1mr4 h PRO 18 N -0.69 -0.35 -0.51 1.90 0.11 -1.98 0.42 132.00 130.89 1mr4 h PRO 18 Ca -0.02 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1mr4 h PRO 18 Cb 0.51 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1mr4 h PRO 18 CO 0.03 -0.24 0.11 -1.00 -0.21 0.00 0.00 178.00 176.69 1mr4 h PRO 19 N -0.37 0.82 -0.35 1.05 0.13 -1.99 0.05 132.00 131.35 1mr4 h PRO 19 Ca 0.12 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1mr4 h PRO 19 Cb 0.58 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1mr4 h PRO 19 CO -0.47 0.80 0.20 0.00 -0.23 0.00 0.00 178.00 178.30 1mr4 h ARG 21 N 0.44 0.64 -0.83 0.00 2.43 -0.03 -2.47 114.38 114.57 1mr4 h ARG 21 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1mr4 h ARG 21 Cb 0.04 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1mr4 h ARG 21 CO -0.02 0.46 0.47 -0.22 -1.51 0.00 0.00 179.97 179.14 1mr4 h LYS 22 N 0.64 1.16 -0.31 0.20 1.63 -0.60 0.07 116.57 119.35 1mr4 h LYS 22 Ca 0.17 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1mr4 h LYS 22 Cb -0.03 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.36 1mr4 h LYS 22 CO -0.03 0.84 0.20 0.00 -3.45 0.00 0.00 179.45 177.01 1mr4 h ALA 23 N 1.25 0.39 -0.27 5.00 0.00 -0.74 0.11 119.26 125.00 1mr4 h ALA 23 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1mr4 h ALA 23 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mr4 h ALA 23 CO -0.05 -0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.18 1mr4 h ILE 25 N 0.30 1.19 -0.33 0.00 2.04 -0.74 -2.32 117.51 117.65 1mr4 h ILE 25 Ca 0.09 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1mr4 h ILE 25 Cb 0.16 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1mr4 h ILE 25 CO -0.01 0.25 -0.19 0.28 0.00 0.00 0.00 178.15 178.48 1mr4 h SER 26 N 0.50 0.61 0.00 1.72 0.02 -0.54 -3.44 113.55 112.41 1mr4 h SER 26 Ca 0.11 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1mr4 h SER 26 Cb 0.30 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1mr4 h SER 26 CO 0.01 0.80 0.00 -0.62 -1.14 0.00 0.00 176.83 175.88 1mr4 n GLU 27 N -4.14 1.73 -2.26 3.45 -0.58 -0.92 -4.96 120.64 112.95 1mr4 n GLU 27 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 1mr4 n GLU 27 Cb 0.39 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.27 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mr4 n LYS 28 N 0.00 3.18 -3.11 3.49 4.01 -1.25 -5.00 118.16 119.48 1mr4 n LYS 28 Ca 0.00 -4.14 -0.12 0.00 -0.51 0.00 0.00 58.31 53.55 1mr4 n LYS 28 Cb 0.00 -2.26 -0.03 0.00 -0.51 0.00 0.00 35.03 32.23 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mr4 n PHE 29 N -0.51 0.09 0.00 2.13 3.72 -0.92 -4.64 117.46 117.33 1mr4 n PHE 29 Ca 0.45 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 1mr4 n PHE 29 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1mr4 n PHE 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1mr4 n THR 30 N -0.43 0.00 -4.14 4.37 -2.24 0.23 -4.48 114.28 107.60 1mr4 n THR 30 Ca -0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.58 1mr4 n THR 30 Cb 0.28 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mr4 s ASP 31 N -3.45 1.24 -0.05 3.42 2.15 -0.69 -4.70 116.67 114.59 1mr4 s ASP 31 Ca 0.00 -1.61 -0.29 0.00 0.43 0.00 0.00 52.55 51.08 1mr4 s ASP 31 Cb 0.00 0.66 0.11 0.00 -0.30 0.00 0.00 42.92 43.39 1mr4 s ASP 31 CO 0.00 -1.29 0.92 -0.83 -0.17 0.00 0.00 175.17 173.80 1mr4 s GLY 32 N -3.29 -0.42 0.15 2.66 0.00 -1.26 -0.31 107.32 104.85 1mr4 s GLY 32 Ca 0.33 1.25 -0.24 0.00 0.00 0.00 0.00 44.72 46.07 1mr4 s GLY 32 CO 0.24 0.50 0.64 -2.38 0.00 0.00 0.00 173.10 172.10 1mr4 s HIS 33 N -2.63 -0.49 0.16 1.90 -3.43 0.52 -4.46 115.29 106.86 1mr4 s HIS 33 Ca 0.03 0.27 -0.20 0.00 -0.80 0.00 0.00 55.06 54.36 1mr4 s HIS 33 Cb -0.01 0.57 -0.08 0.00 -1.43 0.00 0.00 32.58 31.63 1mr4 s HIS 33 CO -0.06 -0.84 0.67 0.00 -2.00 0.00 0.00 174.74 172.50 1mr4 s SER 35 N -1.39 6.25 -0.04 0.00 0.15 -1.00 -4.89 113.70 112.79 1mr4 s SER 35 Ca 0.37 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.68 1mr4 s SER 35 Cb -0.19 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1mr4 s SER 35 CO 0.21 -0.89 1.35 0.29 1.20 0.00 0.00 173.24 175.40 1mr4 n LYS 36 N 0.06 1.10 0.00 5.44 5.02 -1.26 -3.54 118.16 124.97 1mr4 n LYS 36 Ca 0.04 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1mr4 n LYS 36 Cb 0.44 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1mr4 n LYS 36 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1mr4 n ILE 37 N 0.67 0.00 -4.66 -0.18 -5.35 -1.26 -5.11 119.36 103.47 1mr4 n ILE 37 Ca 0.04 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.19 1mr4 n ILE 37 Cb 0.56 -0.01 -0.12 0.00 -1.74 0.00 0.00 39.64 38.34 1mr4 n ILE 37 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1mr4 s LEU 38 N -3.44 3.03 -1.36 7.28 1.43 -1.23 -5.03 118.68 119.36 1mr4 s LEU 38 Ca 0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1mr4 s LEU 38 Cb 0.00 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.66 1mr4 s LEU 38 CO 0.00 0.29 2.06 -1.14 0.23 0.00 0.00 176.35 177.79 1mr4 n ARG 39 N 2.70 3.36 -4.03 1.70 0.63 -1.26 -2.88 116.66 116.88 1mr4 n ARG 39 Ca -0.18 -3.13 -0.12 0.00 -0.92 0.00 0.00 57.85 53.50 1mr4 n ARG 39 Cb 0.53 -3.05 -0.12 0.00 0.45 0.00 0.00 32.46 30.27 1mr4 n ARG 39 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1mr4 s ARG 40 N 1.46 0.41 -0.39 -0.14 1.70 -1.26 -1.19 118.95 119.54 1mr4 s ARG 40 Ca 0.44 -0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 54.79 1mr4 s ARG 40 Cb 0.12 -0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 1mr4 s ARG 40 CO -0.04 0.02 1.25 0.00 -1.08 0.00 0.00 175.30 175.45 1mr4 s LEU 42 N 4.59 5.14 0.13 0.00 1.02 0.25 -1.95 118.68 127.86 1mr4 s LEU 42 Ca 0.53 -0.94 -0.18 0.00 0.02 0.00 0.00 54.13 53.56 1mr4 s LEU 42 Cb -0.12 -2.29 -0.07 0.00 0.02 0.00 0.00 46.19 43.72 1mr4 s LEU 42 CO 0.27 -0.62 0.61 0.00 0.02 0.00 0.00 176.35 176.63 1mr4 s THR 44 N -1.30 1.90 0.20 0.00 -4.23 0.58 -0.70 115.64 112.09 1mr4 s THR 44 Ca 0.35 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 1mr4 s THR 44 Cb -0.18 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 1mr4 s THR 44 CO 0.20 0.53 0.26 -1.59 -0.54 0.00 0.00 174.62 173.48 1mr4 s LYS 45 N -0.16 1.25 0.16 3.99 0.00 -0.92 -0.60 119.74 123.46 1mr4 s LYS 45 Ca -0.02 -1.39 -0.28 0.00 0.00 0.00 0.00 55.97 54.28 1mr4 s LYS 45 Cb -0.13 0.35 -0.16 0.00 0.00 0.00 0.00 37.83 37.89 1mr4 s LYS 45 CO 0.03 -0.45 0.55 -2.30 0.00 0.00 0.00 175.35 173.18 1mr4 n PRO 46 N -0.27 0.00 0.00 1.78 -0.02 -1.26 0.54 135.00 135.77 1mr4 n PRO 46 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1mr4 n PRO 46 Cb 0.64 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48