#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 0.00 -0.05 -3.46 2.35 -2.06 -1.97 115.58 110.40 3he5 h ASN 1 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3he5 h ASN 1 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3he5 h ASN 1 CO 0.00 0.20 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.79 3he5 h LEU 2 N 0.00 0.19 -1.52 1.61 3.38 -2.05 -2.41 115.31 114.51 3he5 h LEU 2 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3he5 h LEU 2 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3he5 h LEU 2 CO 0.03 0.75 0.33 -0.37 0.09 0.00 0.00 178.44 179.26 3he5 h VAL 3 N -0.37 1.13 -0.25 1.22 -1.51 -1.98 -0.54 116.25 113.95 3he5 h VAL 3 Ca -0.00 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3he5 h VAL 3 Cb 0.73 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 3he5 h VAL 3 CO 0.03 0.12 0.15 0.00 -1.23 0.00 0.00 177.57 176.64 3he5 h ALA 4 N 1.69 0.32 -0.38 5.19 0.00 -1.32 -0.72 119.26 124.04 3he5 h ALA 4 Ca 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3he5 h ALA 4 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3he5 h ALA 4 CO -0.04 -0.17 -0.00 0.37 0.00 0.00 0.00 179.25 179.40 3he5 h GLN 5 N 0.31 0.67 -0.91 0.00 5.75 -0.88 -2.01 115.11 118.04 3he5 h GLN 5 Ca 0.09 -0.22 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 3he5 h GLN 5 Cb 0.03 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.45 3he5 h GLN 5 CO -0.02 0.77 0.57 -0.07 -2.65 0.00 0.00 178.83 177.44 3he5 h LEU 6 N 0.49 0.88 -0.84 -2.39 3.38 -0.95 0.90 115.31 116.79 3he5 h LEU 6 Ca 0.11 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3he5 h LEU 6 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3he5 h LEU 6 CO 0.02 0.55 -0.53 -0.33 0.09 0.00 0.00 178.44 178.24 3he5 h GLU 7 N 1.01 0.00 0.25 1.13 5.08 -1.03 -1.37 114.58 119.65 3he5 h GLU 7 Ca 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 3he5 h GLU 7 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3he5 h GLU 7 CO -0.19 0.53 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.32 3he5 h ASN 8 N 0.00 -0.28 -0.27 1.42 2.35 -0.46 -2.62 115.58 115.72 3he5 h ASN 8 Ca -0.01 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3he5 h ASN 8 Cb 1.01 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.38 3he5 h ASN 8 CO 0.07 -0.03 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.50 3he5 h GLU 9 N -0.53 -0.22 -0.73 0.81 4.81 -0.60 0.27 114.58 118.38 3he5 h GLU 9 Ca -0.03 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 3he5 h GLU 9 Cb 0.39 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.71 3he5 h GLU 9 CO 0.06 -0.15 0.11 0.28 -0.73 0.00 0.00 179.01 178.58 3he5 h VAL 10 N -0.23 0.45 -0.11 0.32 2.07 -1.28 -0.46 116.25 117.01 3he5 h VAL 10 Ca 0.15 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 3he5 h VAL 10 Cb 0.46 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3he5 h VAL 10 CO -0.41 0.04 -0.68 0.00 0.02 0.00 0.00 177.57 176.54 3he5 h ALA 11 N 1.64 0.62 -0.35 1.67 0.00 -0.77 -0.73 119.26 121.33 3he5 h ALA 11 Ca 0.41 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3he5 h ALA 11 Cb 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3he5 h ALA 11 CO -0.56 0.74 0.22 0.77 0.00 0.00 0.00 179.25 180.41 3he5 h SER 12 N 0.32 0.41 0.05 0.00 0.02 0.16 -2.10 113.55 112.42 3he5 h SER 12 Ca -0.02 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3he5 h SER 12 Cb 1.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3he5 h SER 12 CO 0.12 0.32 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.68 3he5 h LEU 13 N 0.46 0.45 -0.61 5.07 3.38 -0.98 -2.17 115.31 120.91 3he5 h LEU 13 Ca 0.13 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3he5 h LEU 13 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3he5 h LEU 13 CO -0.03 0.80 0.02 -0.33 0.09 0.00 0.00 178.44 178.99 3he5 h GLU 14 N 0.37 1.07 0.08 1.13 5.08 -1.02 -2.04 114.58 119.24 3he5 h GLU 14 Ca 0.04 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3he5 h GLU 14 Cb 0.83 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3he5 h GLU 14 CO 0.07 1.03 -0.04 -0.91 -1.00 0.00 0.00 179.01 178.16 3he5 h ASN 15 N 0.97 -0.09 -0.48 1.42 2.35 -1.16 -0.29 115.58 118.31 3he5 h ASN 15 Ca 0.18 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3he5 h ASN 15 Cb 0.53 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 3he5 h ASN 15 CO 0.03 0.22 0.17 -0.08 -1.65 0.00 0.00 177.43 176.12 3he5 h GLU 16 N -0.41 0.33 -0.66 0.81 4.81 -1.42 -1.88 114.58 116.16 3he5 h GLU 16 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3he5 h GLU 16 Cb 0.35 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3he5 h GLU 16 CO 0.02 0.22 0.17 -0.91 -0.73 0.00 0.00 179.01 177.78 3he5 h ASN 17 N 0.34 1.00 -0.25 1.04 4.21 -1.34 -1.12 115.58 119.44 3he5 h ASN 17 Ca 0.23 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3he5 h ASN 17 Cb 0.24 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 3he5 h ASN 17 CO -0.23 0.96 0.03 -0.08 -1.29 0.00 0.00 177.43 176.82 3he5 h GLU 18 N 0.98 0.54 -0.03 0.81 4.81 -0.59 0.28 114.58 121.37 3he5 h GLU 18 Ca 0.21 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 3he5 h GLU 18 Cb 0.35 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3he5 h GLU 18 CO 0.00 0.54 -0.59 1.15 -0.73 0.00 0.00 179.01 179.38 3he5 h THR 19 N 0.52 1.40 -0.08 0.32 2.02 -1.20 -2.43 112.91 113.45 3he5 h THR 19 Ca 0.11 -2.00 -0.05 0.00 0.77 0.00 0.00 66.41 65.24 3he5 h THR 19 Cb 0.29 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3he5 h THR 19 CO 0.01 0.59 -0.20 0.25 0.37 0.00 0.00 175.52 176.54 3he5 h LEU 20 N -0.01 0.12 -0.79 2.58 5.85 -0.88 0.72 115.31 122.91 3he5 h LEU 20 Ca -0.06 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 3he5 h LEU 20 Cb 1.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3he5 h LEU 20 CO 0.12 0.33 -0.44 0.50 -0.34 0.00 0.00 178.44 178.61 3he5 h LYS 21 N 0.12 0.38 -0.19 1.25 3.64 -0.45 -2.51 116.57 118.81 3he5 h LYS 21 Ca 0.02 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 3he5 h LYS 21 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3he5 h LYS 21 CO 0.03 0.75 -0.53 0.87 -2.27 0.00 0.00 179.45 178.29 3he5 h LYS 22 N 0.31 0.69 -0.74 1.90 1.57 -0.75 -1.50 116.57 118.05 3he5 h LYS 22 Ca 0.02 -0.49 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3he5 h LYS 22 Cb 0.90 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3he5 h LYS 22 CO 0.07 1.11 0.49 0.87 -0.57 0.00 0.00 179.45 181.43 3he5 h LYS 23 N 0.39 0.85 -0.12 3.15 1.57 -0.87 -1.34 116.57 120.20 3he5 h LYS 23 Ca -0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3he5 h LYS 23 Cb 1.15 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3he5 h LYS 23 CO 0.11 0.57 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.56 3he5 h ASN 24 N 0.88 0.28 -0.30 0.86 2.35 -1.41 -2.27 115.58 115.97 3he5 h ASN 24 Ca 0.30 -0.45 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3he5 h ASN 24 Cb 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3he5 h ASN 24 CO -0.09 0.67 0.21 -0.07 -1.65 0.00 0.00 177.43 176.51 3he5 h LEU 25 N -0.11 0.03 -0.04 1.61 3.38 -0.85 0.53 115.31 119.86 3he5 h LEU 25 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 3he5 h LEU 25 Cb 0.58 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.34 3he5 h LEU 25 CO 0.02 0.02 -0.74 -0.74 0.09 0.00 0.00 178.44 177.09 3he5 h HIS 26 N 0.04 0.82 -0.03 1.13 2.76 -1.18 -2.09 115.15 116.61 3he5 h HIS 26 Ca 0.14 -0.42 0.01 0.00 -2.20 0.00 0.00 60.37 57.90 3he5 h HIS 26 Cb 0.52 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 3he5 h HIS 26 CO -0.00 1.24 0.02 0.87 -1.30 0.00 0.00 177.93 178.76 3he5 h LYS 27 N 0.17 0.00 -0.08 5.26 1.57 -0.61 0.10 116.57 122.99 3he5 h LYS 27 Ca -0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3he5 h LYS 27 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 3he5 h LYS 27 CO 0.15 0.00 -0.73 0.87 -0.57 0.00 0.00 179.45 179.17 3he5 h LYS 28 N 0.00 0.41 -0.37 3.15 1.57 -0.71 -1.08 116.57 119.54 3he5 h LYS 28 Ca 0.01 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.29 3he5 h LYS 28 Cb 0.06 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3he5 h LYS 28 CO -0.00 0.97 -0.41 -0.44 -0.57 0.00 0.00 179.45 179.00 3he5 h ASP 29 N 0.28 0.99 -0.50 0.86 3.32 -0.48 -2.69 116.42 118.19 3he5 h ASP 29 Ca -0.03 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.61 3he5 h ASP 29 Cb 1.31 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3he5 h ASP 29 CO 0.13 1.26 0.23 0.25 -1.72 0.00 0.00 179.24 179.39 3he5 h LEU 30 N 0.75 0.31 -0.32 1.55 5.85 -0.74 -1.70 115.31 121.00 3he5 h LEU 30 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3he5 h LEU 30 Cb 1.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3he5 h LEU 30 CO 0.10 0.21 0.20 0.40 -0.34 0.00 0.00 178.44 179.01 3he5 h ILE 31 N 0.45 1.10 -0.71 4.05 2.04 -1.16 -0.50 117.51 122.79 3he5 h ILE 31 Ca 0.23 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.95 3he5 h ILE 31 Cb 0.17 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3he5 h ILE 31 CO -0.18 0.10 0.46 0.00 0.00 0.00 0.00 178.15 178.53 3he5 h ALA 32 N 1.09 1.77 -0.01 1.87 0.00 -1.19 0.05 119.26 122.84 3he5 h ALA 32 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3he5 h ALA 32 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3he5 h ALA 32 CO -0.02 0.10 0.00 -0.92 0.00 0.00 0.00 179.25 178.41 3he5 h TYR 33 N 0.68 0.02 -0.20 0.00 3.20 -0.34 -1.36 116.97 118.96 3he5 h TYR 33 Ca 0.31 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3he5 h TYR 33 Cb 0.34 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3he5 h TYR 33 CO -0.00 0.30 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.60 3he5 h LEU 34 N -0.27 0.32 -0.60 2.82 3.38 -0.64 -1.61 115.31 118.72 3he5 h LEU 34 Ca 0.00 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3he5 h LEU 34 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3he5 h LEU 34 CO 0.00 0.49 -0.49 -0.33 0.09 0.00 0.00 178.44 178.20 3he5 h GLU 35 N 0.31 0.53 0.00 1.13 5.08 -0.89 -0.53 114.58 120.21 3he5 h GLU 35 Ca 0.06 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3he5 h GLU 35 Cb 0.45 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3he5 h GLU 35 CO 0.03 0.90 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.33 3he5 h LYS 36 N 0.42 0.00 0.15 2.33 3.64 -0.95 -1.79 116.57 120.36 3he5 h LYS 36 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3he5 h LYS 36 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3he5 h LYS 36 CO 0.09 0.39 -0.07 0.93 -2.27 0.00 0.00 179.45 178.52 3he5 h GLU 37 N 0.00 -0.19 -0.96 1.90 4.39 -0.77 -2.64 114.58 116.31 3he5 h GLU 37 Ca -0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 3he5 h GLU 37 Cb 0.75 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 3he5 h GLU 37 CO 0.05 0.16 0.62 0.82 -1.16 0.00 0.00 179.01 179.50 3he5 h ILE 38 N -0.56 1.15 -0.30 3.13 2.04 -1.04 0.15 117.51 122.07 3he5 h ILE 38 Ca -0.02 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 3he5 h ILE 38 Cb 0.43 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3he5 h ILE 38 CO 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 3he5 h ALA 39 N 1.40 1.43 0.00 1.87 0.00 -1.33 0.99 119.26 123.62 3he5 h ALA 39 Ca 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3he5 h ALA 39 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3he5 h ALA 39 CO -0.13 0.40 -1.17 0.09 0.00 0.00 0.00 179.25 178.45 3he5 n ASN 40 N -4.30 0.72 -0.04 0.00 3.02 -0.88 -2.07 115.26 111.71 3he5 n ASN 40 Ca 0.01 0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.68 3he5 n ASN 40 Cb 0.23 0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 3he5 n ASN 40 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3he5 h LEU 41 N 0.00 0.78 -0.40 3.41 3.38 -0.38 -3.30 115.31 118.79 3he5 h LEU 41 Ca -0.01 -0.61 -0.14 0.00 0.09 0.00 0.00 57.88 57.22 3he5 h LEU 41 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3he5 h LEU 41 CO 0.00 1.25 -0.30 0.03 0.09 0.00 0.00 178.44 179.51 3he5 h ARG 42 N 0.35 0.91 -0.81 1.13 3.08 -0.87 -2.31 114.38 115.85 3he5 h ARG 42 Ca -0.03 -0.44 0.23 0.00 0.07 0.00 0.00 59.98 59.82 3he5 h ARG 42 Cb 1.20 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 3he5 h ARG 42 CO 0.12 1.09 0.83 0.87 -1.07 0.00 0.00 179.97 181.82 3he5 h LYS 43 N 0.72 0.00 0.33 0.04 1.57 -1.52 0.68 116.57 118.39 3he5 h LYS 43 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3he5 h LYS 43 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3he5 h LYS 43 CO 0.08 0.00 -0.16 0.87 -0.57 0.00 0.00 179.45 179.67 3he5 h LYS 44 N 0.00 -0.43 0.00 3.15 1.57 -1.49 -3.28 116.57 116.09 3he5 h LYS 44 Ca 0.38 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.06 3he5 h LYS 44 Cb 2.05 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.43 3he5 h LYS 44 CO -0.00 -0.14 -0.63 0.82 -0.57 0.00 0.00 179.45 178.93 3he5 h ILE 45 N -1.01 1.27 0.00 1.86 5.03 -1.52 -3.53 117.51 119.62 3he5 h ILE 45 Ca -0.05 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.39 3he5 h ILE 45 Cb 0.48 2.31 0.00 0.00 -3.03 0.00 0.00 36.82 36.58 3he5 h ILE 45 CO 0.07 0.62 0.00 -1.84 -0.68 0.00 0.00 178.15 176.32