#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he5 h ASN 1 N 0.00 0.60 -2.45 4.04 2.35 -2.06 -0.60 115.58 117.47 3he5 h ASN 1 Ca 0.00 0.09 -0.77 0.00 -0.55 0.00 0.00 56.30 55.06 3he5 h ASN 1 Cb 0.00 -0.02 -0.30 0.00 0.05 0.00 0.00 38.32 38.05 3he5 h ASN 1 CO 0.00 0.18 0.67 -0.11 -1.65 0.00 0.00 177.43 176.52 3he5 n LEU 2 N -4.69 6.54 0.00 1.61 7.94 -1.26 -2.85 117.00 124.29 3he5 n LEU 2 Ca 0.23 -5.37 0.00 0.00 -1.11 0.00 0.00 56.01 49.76 3he5 n LEU 2 Cb 0.70 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.55 3he5 n LEU 2 CO 0.24 1.98 0.00 0.52 -1.11 0.00 0.00 177.39 179.01 3he5 n VAL 3 N 0.40 0.00 -0.36 1.96 0.31 -0.32 -4.79 118.33 115.52 3he5 n VAL 3 Ca 0.38 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.77 3he5 n VAL 3 Cb 0.31 -0.01 0.23 0.00 -0.91 0.00 0.00 33.84 33.46 3he5 n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3he5 h ALA 4 N 0.00 1.49 -0.22 3.52 0.00 -1.43 0.63 119.26 123.25 3he5 h ALA 4 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3he5 h ALA 4 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3he5 h ALA 4 CO 0.00 0.25 -0.54 0.37 0.00 0.00 0.00 179.25 179.33 3he5 h GLN 5 N 1.01 0.76 -0.91 0.00 5.75 -1.77 -0.67 115.11 119.28 3he5 h GLN 5 Ca 0.49 -0.52 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3he5 h GLN 5 Cb 0.45 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.03 3he5 h GLN 5 CO -0.25 1.14 0.60 -0.07 -2.65 0.00 0.00 178.83 177.60 3he5 h LEU 6 N 0.49 1.04 -0.30 -2.39 3.38 -1.68 -2.39 115.31 113.46 3he5 h LEU 6 Ca -0.00 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3he5 h LEU 6 Cb 1.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3he5 h LEU 6 CO 0.12 0.75 -0.85 -0.33 0.09 0.00 0.00 178.44 178.22 3he5 h GLU 7 N 1.23 0.31 -0.06 1.13 5.08 0.37 -2.97 114.58 119.67 3he5 h GLU 7 Ca 0.34 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3he5 h GLU 7 Cb -0.13 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3he5 h GLU 7 CO -0.08 0.99 -0.43 -0.91 -1.00 0.00 0.00 179.01 177.59 3he5 h ASN 8 N 0.19 0.14 0.02 1.42 -0.26 -0.93 -2.51 115.58 113.65 3he5 h ASN 8 Ca -0.05 -0.06 -0.18 0.00 -0.56 0.00 0.00 56.30 55.45 3he5 h ASN 8 Cb 1.46 -0.04 0.02 0.00 -1.06 0.00 0.00 38.32 38.70 3he5 h ASN 8 CO 0.14 0.56 -0.72 -0.08 -1.06 0.00 0.00 177.43 176.26 3he5 h GLU 9 N 0.11 0.46 -0.18 0.81 4.81 -1.44 -1.49 114.58 117.66 3he5 h GLU 9 Ca 0.01 -0.52 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3he5 h GLU 9 Cb 0.81 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3he5 h GLU 9 CO 0.06 1.17 -0.08 0.28 -0.73 0.00 0.00 179.01 179.71 3he5 h VAL 10 N -0.03 0.75 -0.50 0.32 2.07 -1.53 -0.63 116.25 116.70 3he5 h VAL 10 Ca -0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.52 3he5 h VAL 10 Cb 1.44 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 3he5 h VAL 10 CO 0.14 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.58 3he5 h ALA 11 N 1.11 0.28 0.01 1.67 0.00 -1.42 -0.13 119.26 120.79 3he5 h ALA 11 Ca 0.09 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3he5 h ALA 11 Cb 0.19 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3he5 h ALA 11 CO -0.21 -0.47 -0.01 1.03 0.00 0.00 0.00 179.25 179.59 3he5 h SER 12 N -0.03 -0.02 -0.22 0.00 0.87 -0.82 -2.35 113.55 110.98 3he5 h SER 12 Ca 0.24 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3he5 h SER 12 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3he5 h SER 12 CO -0.53 0.21 0.15 -0.07 -0.53 0.00 0.00 176.83 176.06 3he5 h LEU 13 N -0.24 0.18 0.42 2.23 3.38 -0.96 0.60 115.31 120.93 3he5 h LEU 13 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3he5 h LEU 13 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3he5 h LEU 13 CO 0.00 0.13 -0.39 -0.33 0.09 0.00 0.00 178.44 177.94 3he5 h GLU 14 N 0.21 -0.77 -0.69 1.13 4.39 -0.50 0.21 114.58 118.56 3he5 h GLU 14 Ca 0.09 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3he5 h GLU 14 Cb 0.10 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3he5 h GLU 14 CO -0.02 -0.51 0.30 -0.97 -1.16 0.00 0.00 179.01 176.65 3he5 h ASN 15 N -0.80 0.94 -0.47 1.42 -0.00 -1.18 0.13 115.58 115.62 3he5 h ASN 15 Ca -0.05 -0.16 0.02 0.00 -0.00 0.00 0.00 56.30 56.11 3he5 h ASN 15 Cb 0.68 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.73 3he5 h ASN 15 CO -0.03 0.84 0.29 -0.08 -0.00 0.00 0.00 177.43 178.44 3he5 h GLU 16 N 0.98 0.56 -0.09 6.67 4.81 -0.85 -0.21 114.58 126.45 3he5 h GLU 16 Ca 0.23 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3he5 h GLU 16 Cb 0.17 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3he5 h GLU 16 CO -0.02 0.37 -0.48 -0.91 -0.73 0.00 0.00 179.01 177.23 3he5 h ASN 17 N 0.58 0.59 -0.34 1.04 4.21 -0.83 -2.59 115.58 118.23 3he5 h ASN 17 Ca 0.19 -0.65 -0.06 0.00 1.21 0.00 0.00 56.30 56.99 3he5 h ASN 17 Cb -0.00 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 3he5 h ASN 17 CO -0.08 1.14 0.03 -0.08 -1.29 0.00 0.00 177.43 177.15 3he5 h GLU 18 N 0.07 0.68 0.82 0.81 4.57 -0.90 0.21 114.58 120.84 3he5 h GLU 18 Ca -0.03 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3he5 h GLU 18 Cb 1.13 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3he5 h GLU 18 CO 0.10 0.68 -0.39 1.15 -1.18 0.00 0.00 179.01 179.36 3he5 h THR 19 N 0.65 0.14 -0.28 0.32 2.02 -1.08 -2.31 112.91 112.38 3he5 h THR 19 Ca 0.14 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.29 3he5 h THR 19 Cb 0.36 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3he5 h THR 19 CO 0.01 0.01 0.19 0.25 0.37 0.00 0.00 175.52 176.35 3he5 h LEU 20 N -1.17 0.09 -0.62 2.58 5.85 -1.19 -1.29 115.31 119.56 3he5 h LEU 20 Ca -0.11 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.46 3he5 h LEU 20 Cb 0.85 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3he5 h LEU 20 CO 0.18 0.06 -0.69 0.50 -0.34 0.00 0.00 178.44 178.16 3he5 h LYS 21 N 0.11 0.02 0.05 1.25 3.64 -0.54 0.18 116.57 121.27 3he5 h LYS 21 Ca 0.13 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.26 3he5 h LYS 21 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3he5 h LYS 21 CO -0.01 0.70 -1.03 0.87 -2.27 0.00 0.00 179.45 177.70 3he5 h LYS 22 N 0.01 0.24 -0.18 1.90 1.57 -0.68 -1.55 116.57 117.88 3he5 h LYS 22 Ca -0.01 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 58.27 3he5 h LYS 22 Cb 1.22 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 3he5 h LYS 22 CO 0.09 1.08 -0.64 0.87 -0.57 0.00 0.00 179.45 180.28 3he5 h LYS 23 N 0.10 0.66 -0.04 3.15 1.57 -1.25 -2.75 116.57 118.01 3he5 h LYS 23 Ca -0.08 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3he5 h LYS 23 Cb 1.72 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 34.10 3he5 h LYS 23 CO 0.16 1.09 0.01 -0.91 -0.57 0.00 0.00 179.45 179.24 3he5 h ASN 24 N 0.48 0.06 -0.24 0.86 4.21 -0.95 -2.57 115.58 117.44 3he5 h ASN 24 Ca -0.01 -0.20 0.07 0.00 1.21 0.00 0.00 56.30 57.36 3he5 h ASN 24 Cb 1.23 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.40 3he5 h ASN 24 CO 0.13 0.25 0.20 -0.07 -1.29 0.00 0.00 177.43 176.65 3he5 h LEU 25 N -0.13 0.00 -0.16 1.61 3.38 -1.29 -0.44 115.31 118.30 3he5 h LEU 25 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3he5 h LEU 25 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3he5 h LEU 25 CO -0.00 0.00 -0.93 -0.74 0.09 0.00 0.00 178.44 176.86 3he5 h HIS 26 N 0.00 0.77 -0.60 1.13 2.76 -1.26 -2.73 115.15 115.22 3he5 h HIS 26 Ca 0.11 -0.40 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 3he5 h HIS 26 Cb 0.51 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3he5 h HIS 26 CO 0.00 1.22 0.33 0.87 -1.30 0.00 0.00 177.93 179.04 3he5 h LYS 27 N 0.31 0.82 -0.53 5.26 1.57 -0.70 -0.08 116.57 123.22 3he5 h LYS 27 Ca -0.08 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3he5 h LYS 27 Cb 1.56 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 3he5 h LYS 27 CO 0.17 0.60 0.31 0.87 -0.57 0.00 0.00 179.45 180.84 3he5 h LYS 28 N 0.83 0.73 -0.46 3.15 1.57 -1.35 -0.45 116.57 120.60 3he5 h LYS 28 Ca 0.21 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3he5 h LYS 28 Cb 0.02 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3he5 h LYS 28 CO -0.04 0.54 0.12 -0.44 -0.57 0.00 0.00 179.45 179.06 3he5 h ASP 29 N 0.71 0.06 -0.27 0.86 3.32 -1.01 -1.44 116.42 118.66 3he5 h ASP 29 Ca 0.19 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3he5 h ASP 29 Cb 0.00 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3he5 h ASP 29 CO -0.03 0.07 0.17 -0.07 -1.72 0.00 0.00 179.24 177.66 3he5 h LEU 30 N 0.26 0.30 -0.99 1.55 3.38 -0.68 -2.33 115.31 116.81 3he5 h LEU 30 Ca 0.22 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.26 3he5 h LEU 30 Cb 0.26 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3he5 h LEU 30 CO -0.27 0.22 0.64 0.40 0.09 0.00 0.00 178.44 179.52 3he5 h ILE 31 N 0.36 1.07 -0.53 1.22 2.04 -0.91 0.12 117.51 120.88 3he5 h ILE 31 Ca 0.10 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3he5 h ILE 31 Cb -0.03 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 35.85 3he5 h ILE 31 CO -0.03 0.21 0.34 0.00 0.00 0.00 0.00 178.15 178.67 3he5 h ALA 32 N 1.46 0.67 0.00 1.87 0.00 -0.83 0.42 119.26 122.85 3he5 h ALA 32 Ca 0.43 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3he5 h ALA 32 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3he5 h ALA 32 CO -0.18 0.13 -0.57 1.88 0.00 0.00 0.00 179.25 180.51 3he5 h TYR 33 N 0.72 0.00 -0.74 0.00 0.05 -1.03 -2.30 116.97 113.67 3he5 h TYR 33 Ca 0.19 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.92 3he5 h TYR 33 Cb -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3he5 h TYR 33 CO -0.03 0.48 0.25 -0.07 -1.05 0.00 0.00 178.16 177.73 3he5 h LEU 34 N 0.00 1.06 -1.13 3.88 3.38 -0.52 -0.79 115.31 121.19 3he5 h LEU 34 Ca -0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3he5 h LEU 34 Cb 1.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3he5 h LEU 34 CO 0.06 0.97 -0.35 -0.33 0.09 0.00 0.00 178.44 178.89 3he5 h GLU 35 N 1.08 0.16 0.11 1.13 5.08 -0.76 -1.79 114.58 119.59 3he5 h GLU 35 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3he5 h GLU 35 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3he5 h GLU 35 CO -0.01 0.49 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.22 3he5 h LYS 36 N 0.14 -0.15 -0.96 2.33 3.64 -1.10 -2.31 116.57 118.16 3he5 h LYS 36 Ca 0.02 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3he5 h LYS 36 Cb 0.68 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 3he5 h LYS 36 CO 0.05 0.18 0.59 0.93 -2.27 0.00 0.00 179.45 178.93 3he5 h GLU 37 N -0.49 0.92 -0.60 1.90 5.08 -0.98 -0.94 114.58 119.48 3he5 h GLU 37 Ca -0.02 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3he5 h GLU 37 Cb 0.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3he5 h GLU 37 CO 0.03 0.61 0.08 0.82 -1.00 0.00 0.00 179.01 179.54 3he5 h ILE 38 N 0.95 1.26 -0.17 3.13 2.04 -1.31 -2.00 117.51 121.42 3he5 h ILE 38 Ca 0.47 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3he5 h ILE 38 Cb 0.44 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3he5 h ILE 38 CO -0.26 0.38 -0.09 0.00 0.00 0.00 0.00 178.15 178.18 3he5 h ALA 39 N 1.01 1.54 0.07 1.87 0.00 -0.69 -2.26 119.26 120.80 3he5 h ALA 39 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3he5 h ALA 39 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3he5 h ALA 39 CO 0.02 0.33 -0.03 -0.97 0.00 0.00 0.00 179.25 178.59 3he5 h ASN 40 N 0.25 -0.08 -0.37 0.00 -0.00 -0.69 -3.02 115.58 111.68 3he5 h ASN 40 Ca 0.05 -0.40 -0.03 0.00 -0.00 0.00 0.00 56.30 55.93 3he5 h ASN 40 Cb 0.32 0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.65 3he5 h ASN 40 CO 0.02 0.37 0.13 -0.07 -0.00 0.00 0.00 177.43 177.87 3he5 h LEU 41 N -0.55 0.53 -1.70 0.34 3.38 -1.29 -2.79 115.31 113.22 3he5 h LEU 41 Ca -0.01 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.87 3he5 h LEU 41 Cb 0.47 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3he5 h LEU 41 CO 0.02 0.58 0.38 0.03 0.09 0.00 0.00 178.44 179.53 3he5 h ARG 42 N 0.45 0.32 -0.23 1.13 2.47 -1.49 0.65 114.38 117.67 3he5 h ARG 42 Ca 0.12 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 3he5 h ARG 42 Cb 0.23 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 3he5 h ARG 42 CO -0.01 0.21 -0.39 -0.22 0.56 0.00 0.00 179.97 180.12 3he5 h LYS 43 N 0.33 0.54 0.00 0.04 3.64 -1.36 -2.72 116.57 117.05 3he5 h LYS 43 Ca 0.26 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3he5 h LYS 43 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3he5 h LYS 43 CO -0.06 0.85 0.00 1.63 -2.27 0.00 0.00 179.45 179.59 3he5 n LYS 44 N -4.03 0.39 0.00 1.90 5.02 0.22 -3.23 118.16 118.42 3he5 n LYS 44 Ca -0.02 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3he5 n LYS 44 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3he5 n LYS 44 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3he5 n ILE 45 N -1.12 0.00 0.00 -0.18 -5.35 -1.13 -5.11 119.36 106.48 3he5 n ILE 45 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3he5 n ILE 45 Cb 0.08 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3he5 n ILE 45 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00