#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 -5.68 -3.07 5.56 4.71 0.13 -4.73 120.64 117.55 1mr4 n GLU 2 Ca 0.00 0.71 -0.39 0.00 -0.01 0.00 0.00 57.16 57.47 1mr4 n GLU 2 Cb 0.00 -5.47 -0.06 0.00 -1.01 0.00 0.00 31.44 24.90 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 -1.13 4.25 -0.18 0.00 -0.14 -1.26 -0.52 119.74 120.76 1mr4 s LYS 4 Ca 0.34 0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 55.54 1mr4 s LYS 4 Cb -0.22 -3.57 0.06 0.00 -1.68 0.00 0.00 37.83 32.42 1mr4 s LYS 4 CO 0.24 -0.23 0.45 0.99 -0.76 0.00 0.00 175.35 176.04 1mr4 s THR 5 N 1.86 -0.01 0.24 2.17 2.01 -0.14 -4.98 115.64 116.78 1mr4 s THR 5 Ca 0.31 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 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 0.11 0.02 1.18 -1.83 -0.69 0.00 0.00 174.62 173.42 1mr4 s GLU 6 N 1.03 4.52 0.28 4.92 -1.05 -1.26 -1.13 118.70 126.00 1mr4 s GLU 6 Ca -0.06 1.90 -0.29 0.00 -0.15 0.00 0.00 54.97 56.36 1mr4 s GLU 6 Cb -0.06 -3.20 -0.10 0.00 -0.44 0.00 0.00 34.13 30.33 1mr4 s GLU 6 CO -0.09 0.00 1.36 0.45 0.95 0.00 0.00 175.26 177.93 1mr4 s SER 7 N -0.31 6.74 -0.07 0.83 0.15 -0.78 -4.89 113.70 115.37 1mr4 s SER 7 Ca 0.49 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 59.72 1mr4 s SER 7 Cb -0.33 -2.63 -0.28 0.00 -1.71 0.00 0.00 66.02 61.06 1mr4 s SER 7 CO 0.40 -0.60 0.56 -1.13 1.20 0.00 0.00 173.24 173.67 1mr4 h ASN 8 N 4.34 0.46 0.66 5.45 -0.73 -1.93 -3.35 115.58 120.48 1mr4 h ASN 8 Ca -0.47 -0.83 -0.08 0.00 1.87 0.00 0.00 56.30 56.79 1mr4 h ASN 8 Cb 1.22 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 1mr4 h ASN 8 CO 0.72 1.72 -0.39 0.71 -0.37 0.00 0.00 177.43 179.83 1mr4 h THR 9 N 0.08 1.02 -3.39 -3.57 1.35 -1.92 -3.45 112.91 103.04 1mr4 h THR 9 Ca -0.36 -1.47 -0.53 0.00 -0.55 0.00 0.00 66.41 63.50 1mr4 h THR 9 Cb 2.06 1.85 0.08 0.00 -1.73 0.00 0.00 68.15 70.41 1mr4 h THR 9 CO 0.13 0.38 0.86 0.12 -0.25 0.00 0.00 175.52 176.76 1mr4 s PHE 10 N -3.79 2.78 -0.01 4.73 5.36 -1.26 -4.84 117.98 120.95 1mr4 s PHE 10 Ca -0.01 0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1mr4 s PHE 10 Cb 0.12 -4.03 -0.11 0.00 -0.34 0.00 0.00 43.02 38.66 1mr4 s PHE 10 CO 0.70 -3.41 1.84 -0.35 -1.46 0.00 0.00 175.22 172.53 1mr4 n PRO 11 N 2.06 0.86 0.00 10.12 -0.04 -1.26 -4.88 135.00 141.86 1mr4 n PRO 11 Ca 0.07 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1mr4 n PRO 11 Cb 0.38 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.80 2.24 3.62 0.55 0.00 -1.26 -4.88 105.19 108.26 1mr4 n GLY 12 Ca 0.19 -0.25 -0.54 0.00 0.00 0.00 0.00 46.02 45.41 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 0.08 -2.65 -0.61 2.08 -1.26 -4.27 119.36 112.73 1mr4 n ILE 13 Ca 0.00 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 62.87 1mr4 n ILE 13 Cb 0.00 -0.87 -0.03 0.00 -0.75 0.00 0.00 39.64 38.00 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mr4 h ILE 15 N 5.12 0.59 -2.03 0.00 5.03 -1.91 -3.46 117.51 120.85 1mr4 h ILE 15 Ca -0.30 -1.70 -0.00 0.00 -0.12 0.00 0.00 64.86 62.74 1mr4 h ILE 15 Cb 1.14 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 1mr4 h ILE 15 CO 0.87 0.20 0.01 0.35 -0.68 0.00 0.00 178.15 178.90 1mr4 n THR 16 N -4.53 0.00 0.13 -0.27 -2.24 -1.26 -5.08 114.28 101.03 1mr4 n THR 16 Ca -0.20 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1mr4 n THR 16 Cb 0.48 0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.34 -0.32 -0.78 1.63 -1.96 -2.95 116.57 111.85 1mr4 h LYS 17 Ca -0.01 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1mr4 h LYS 17 Cb 0.04 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.67 1mr4 h LYS 17 CO 0.01 -0.01 -0.25 -1.35 -3.45 0.00 0.00 179.45 174.40 1mr4 h PRO 18 N -0.72 -0.22 -0.45 1.90 0.11 -1.98 0.35 132.00 131.01 1mr4 h PRO 18 Ca -0.04 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1mr4 h PRO 18 Cb 0.49 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1mr4 h PRO 18 CO 0.06 -0.14 0.17 -1.35 -0.21 0.00 0.00 178.00 176.52 1mr4 h PRO 19 N -0.22 0.68 -0.43 1.05 0.11 -1.99 -2.96 132.00 128.24 1mr4 h PRO 19 Ca 0.16 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 19 Cb 0.48 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1mr4 h PRO 19 CO -0.45 0.63 0.02 0.00 -0.21 0.00 0.00 178.00 177.99 1mr4 h ARG 21 N 0.59 -0.44 0.00 0.00 2.43 -0.21 -2.17 114.38 114.58 1mr4 h ARG 21 Ca 0.12 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1mr4 h ARG 21 Cb 0.46 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1mr4 h ARG 21 CO 0.02 -0.29 -0.11 1.57 -1.51 0.00 0.00 179.97 179.65 1mr4 h LYS 22 N -0.45 0.00 -0.30 0.20 -0.00 -1.58 -1.64 116.57 112.80 1mr4 h LYS 22 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.66 1mr4 h LYS 22 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.71 1mr4 h LYS 22 CO -0.17 0.11 0.06 0.00 -0.00 0.00 0.00 179.45 179.44 1mr4 h ALA 23 N 1.89 0.39 -0.79 0.07 0.00 -1.36 -0.51 119.26 118.95 1mr4 h ALA 23 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1mr4 h ALA 23 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1mr4 h ALA 23 CO 0.01 0.07 0.43 0.00 0.00 0.00 0.00 179.25 179.77 1mr4 h ILE 25 N 1.10 1.23 -0.38 0.00 2.04 -1.08 -2.63 117.51 117.79 1mr4 h ILE 25 Ca 0.28 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 1mr4 h ILE 25 Cb 0.04 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1mr4 h ILE 25 CO -0.04 0.34 -0.10 0.28 0.00 0.00 0.00 178.15 178.63 1mr4 h SER 26 N 0.52 0.65 0.00 1.72 0.02 -0.53 -3.44 113.55 112.48 1mr4 h SER 26 Ca 0.10 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1mr4 h SER 26 Cb 0.49 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1mr4 h SER 26 CO 0.03 0.78 0.00 -0.62 -1.14 0.00 0.00 176.83 175.88 1mr4 n GLU 27 N -4.18 3.47 -2.80 3.45 1.02 -0.93 -4.97 120.64 115.69 1mr4 n GLU 27 Ca 0.01 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1mr4 n GLU 27 Cb 0.34 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.76 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mr4 n LYS 28 N 0.00 4.58 0.00 3.49 5.02 -1.26 -4.92 118.16 125.08 1mr4 n LYS 28 Ca 0.00 -4.72 0.00 0.00 -2.02 0.00 0.00 58.31 51.57 1mr4 n LYS 28 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 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 0.05 0.00 0.00 2.13 3.01 -1.13 -4.62 117.46 116.90 1mr4 n PHE 29 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1mr4 n PHE 29 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 -3.90 4.37 5.66 -0.65 -4.47 114.28 115.29 1mr4 n THR 30 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1mr4 n THR 30 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.63 0.26 0.11 1.09 -1.08 -1.17 -4.69 116.67 110.56 1mr4 s ASP 31 Ca 0.00 -1.20 -0.07 0.00 -0.52 0.00 0.00 52.55 50.75 1mr4 s ASP 31 Cb 0.00 0.78 0.03 0.00 -1.46 0.00 0.00 42.92 42.26 1mr4 s ASP 31 CO 0.00 -1.53 0.36 0.61 0.52 0.00 0.00 175.17 175.12 1mr4 n GLY 32 N -0.53 1.30 3.60 2.66 0.00 -1.26 -0.44 105.19 110.51 1mr4 n GLY 32 Ca -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.92 1mr4 n GLY 32 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mr4 s HIS 33 N -5.36 -0.01 -0.20 1.61 -3.43 -0.53 -4.70 115.29 102.66 1mr4 s HIS 33 Ca 0.08 0.00 -0.24 0.00 -0.80 0.00 0.00 55.06 54.10 1mr4 s HIS 33 Cb -0.01 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 1mr4 s HIS 33 CO 0.03 -0.03 0.77 0.00 -2.00 0.00 0.00 174.74 173.51 1mr4 s SER 35 N 1.24 6.77 0.00 0.00 0.15 -0.28 -4.86 113.70 116.72 1mr4 s SER 35 Ca 0.34 1.97 0.07 0.00 0.70 0.00 0.00 55.95 59.04 1mr4 s SER 35 Cb -0.16 -2.54 0.45 0.00 -1.71 0.00 0.00 66.02 62.06 1mr4 s SER 35 CO 0.10 -0.87 0.88 0.29 1.20 0.00 0.00 173.24 174.84 1mr4 n LYS 36 N 6.93 0.46 0.09 5.44 5.02 -1.26 -2.15 118.16 132.70 1mr4 n LYS 36 Ca 0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.30 1mr4 n LYS 36 Cb 0.44 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 1mr4 n LYS 36 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1mr4 h ILE 37 N 0.00 1.48 0.00 -0.18 1.08 -1.96 -3.48 117.51 114.44 1mr4 h ILE 37 Ca 0.00 -3.07 0.00 0.00 -0.39 0.00 0.00 64.86 61.40 1mr4 h ILE 37 Cb 0.00 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1mr4 h ILE 37 CO 0.00 0.89 0.00 0.18 -0.69 0.00 0.00 178.15 178.53 1mr4 n LEU 38 N -3.49 0.00 -2.71 1.44 4.77 -0.91 -5.08 117.00 111.02 1mr4 n LEU 38 Ca -0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 1mr4 n LEU 38 Cb 1.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 42.19 1mr4 n LEU 38 CO 0.53 0.00 0.27 -1.14 -1.33 0.00 0.00 177.39 175.72 1mr4 n ARG 39 N 0.00 1.32 -4.27 3.23 0.63 -1.25 -4.84 116.66 111.48 1mr4 n ARG 39 Ca 0.00 -2.38 -0.29 0.00 -0.92 0.00 0.00 57.85 54.25 1mr4 n ARG 39 Cb 0.00 -0.55 -0.11 0.00 0.45 0.00 0.00 32.46 32.25 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 -1.46 1.91 -0.79 -0.14 0.52 -1.26 -0.08 118.95 117.65 1mr4 s ARG 40 Ca 0.21 -1.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 1mr4 s ARG 40 Cb 0.41 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1mr4 s ARG 40 CO -0.05 0.49 1.63 0.00 0.02 0.00 0.00 175.30 177.38 1mr4 s LEU 42 N 7.49 3.79 0.27 0.00 2.96 0.20 -1.86 118.68 131.53 1mr4 s LEU 42 Ca 0.54 -0.74 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 1mr4 s LEU 42 Cb -0.07 -2.49 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1mr4 s LEU 42 CO 0.08 -1.63 0.60 0.00 -1.32 0.00 0.00 176.35 174.08 1mr4 s THR 44 N -1.95 3.37 -0.07 0.00 -4.23 0.41 -0.97 115.64 112.20 1mr4 s THR 44 Ca 0.48 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1mr4 s THR 44 Cb -0.11 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1mr4 s THR 44 CO 0.23 0.44 -0.12 -1.59 -0.54 0.00 0.00 174.62 173.04 1mr4 s LYS 45 N 1.27 2.77 -1.08 3.99 -2.85 0.32 -1.64 119.74 122.52 1mr4 s LYS 45 Ca 0.03 -0.66 -0.07 0.00 -1.00 0.00 0.00 55.97 54.27 1mr4 s LYS 45 Cb -0.14 -2.49 -0.09 0.00 -2.06 0.00 0.00 37.83 33.05 1mr4 s LYS 45 CO -0.02 0.54 2.56 -0.35 0.10 0.00 0.00 175.35 178.18 1mr4 n PRO 46 N 2.58 2.67 0.00 1.78 -0.04 -1.26 0.19 135.00 140.91 1mr4 n PRO 46 Ca -0.18 -1.66 0.16 0.00 -0.04 0.00 0.00 63.50 61.78 1mr4 n PRO 46 Cb 0.52 -2.51 0.85 0.00 -0.04 0.00 0.00 33.50 32.32 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46