#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha8 h GLU 2 N 0.00 0.35 0.06 1.61 4.11 -1.92 -2.91 114.58 115.88 1ha8 h GLU 2 Ca 0.00 -0.12 -0.25 0.00 0.07 0.00 0.00 59.36 59.06 1ha8 h GLU 2 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ha8 h GLU 2 CO 0.00 0.57 -1.20 0.00 0.07 0.00 0.00 179.01 178.45 1ha8 h GLU 4 N 0.04 0.95 -0.09 0.00 5.08 -1.60 -0.21 114.58 118.74 1ha8 h GLU 4 Ca -0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1ha8 h GLU 4 Cb 1.89 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 1ha8 h GLU 4 CO 0.16 0.63 0.02 0.37 -1.00 0.00 0.00 179.01 179.19 1ha8 h GLN 5 N 0.98 0.15 -0.90 2.33 -0.00 -1.26 -2.21 115.11 114.20 1ha8 h GLN 5 Ca 0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 1ha8 h GLN 5 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.72 1ha8 h GLN 5 CO -0.17 0.33 0.57 0.00 0.00 0.00 0.00 178.83 179.55 1ha8 h PHE 7 N 1.22 1.15 -0.06 0.00 -1.00 -0.99 -1.44 116.94 115.84 1ha8 h PHE 7 Ca 0.32 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.11 1ha8 h PHE 7 Cb -0.09 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.08 1ha8 h PHE 7 CO -0.00 0.74 -0.00 0.77 -1.61 0.00 0.00 178.31 178.21 1ha8 h SER 8 N 1.23 0.07 -0.03 2.17 0.02 -0.64 -1.98 113.55 114.39 1ha8 h SER 8 Ca 0.33 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1ha8 h SER 8 Cb -0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1ha8 h SER 8 CO -0.07 0.09 0.03 -0.67 -1.14 0.00 0.00 176.83 175.07 1ha8 n ASP 9 N -4.48 4.53 -2.30 3.07 -0.08 -0.60 -4.74 116.55 111.96 1ha8 n ASP 9 Ca -0.02 -2.30 -0.16 0.00 -1.51 0.00 0.00 54.79 50.80 1ha8 n ASP 9 Cb 0.12 -0.90 -0.02 0.00 2.34 0.00 0.00 41.12 42.67 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ha8 n GLY 10 N 1.06 -0.23 3.76 0.27 0.00 -0.77 -4.97 105.19 104.31 1ha8 n GLY 10 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1ha8 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ha8 s GLY 11 N -2.08 2.11 0.00 -0.02 0.00 -0.84 -5.00 107.32 101.49 1ha8 s GLY 11 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1ha8 s GLY 11 CO 0.00 0.92 0.00 1.22 0.00 0.00 0.00 173.10 175.24 1ha8 n ASP 12 N -2.64 0.00 0.00 1.64 8.00 -1.26 -4.66 116.55 117.63 1ha8 n ASP 12 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1ha8 n ASP 12 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ha8 h THR 14 N 0.00 0.60 -0.07 0.00 2.02 -1.99 -1.20 112.91 112.28 1ha8 h THR 14 Ca 0.00 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1ha8 h THR 14 Cb 0.41 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1ha8 h THR 14 CO 0.00 0.06 0.05 1.07 0.37 0.00 0.00 175.52 177.07 1ha8 n THR 15 N -5.25 1.55 0.00 3.16 5.66 -1.26 -1.22 114.28 116.93 1ha8 n THR 15 Ca -0.11 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1ha8 n THR 15 Cb 0.27 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 1ha8 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ha8 h PHE 17 N 0.00 1.05 -6.62 0.00 3.57 -0.84 -2.25 116.94 111.85 1ha8 h PHE 17 Ca 0.00 -0.38 -0.53 0.00 3.53 0.00 0.00 57.97 60.59 1ha8 h PHE 17 Cb 0.00 -0.20 -0.17 0.00 2.79 0.00 0.00 35.95 38.37 1ha8 h PHE 17 CO 0.00 1.20 -0.81 -1.71 -2.23 0.00 0.00 178.31 174.76 1ha8 n ASN 18 N -4.05 -3.68 -3.74 0.41 5.15 -0.36 -1.24 115.26 107.75 1ha8 n ASN 18 Ca -0.05 -0.94 -0.31 0.00 -0.60 0.00 0.00 54.58 52.68 1ha8 n ASN 18 Cb 0.62 -2.99 0.03 0.00 -0.53 0.00 0.00 39.78 36.90 1ha8 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ha8 n ASN 19 N -2.67 -5.20 0.00 1.20 2.85 -1.26 -3.75 115.26 106.42 1ha8 n ASN 19 Ca 0.07 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.56 1ha8 n ASN 19 Cb 0.50 -2.80 0.00 0.00 1.24 0.00 0.00 39.78 38.71 1ha8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ha8 n GLY 20 N -1.78 0.86 0.00 8.20 0.00 -0.53 -4.75 105.19 107.18 1ha8 n GLY 20 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ha8 n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ha8 n THR 21 N -2.01 0.11 -1.65 2.61 -1.04 -1.19 -4.83 114.28 106.30 1ha8 n THR 21 Ca 0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.34 1ha8 n THR 21 Cb 0.00 1.25 0.17 0.00 -1.82 0.00 0.00 70.33 69.93 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ha8 s GLY 22 N -0.11 1.66 0.16 3.41 0.00 -0.37 -4.94 107.32 107.14 1ha8 s GLY 22 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.68 1ha8 s GLY 22 CO 0.00 -0.20 1.73 -0.56 0.00 0.00 0.00 173.10 174.07 1ha8 h PRO 23 N -1.74 0.80 -2.17 2.90 0.13 -1.81 -2.58 132.00 127.54 1ha8 h PRO 23 Ca -0.46 -0.13 -0.79 0.00 -0.87 0.00 0.00 66.00 63.74 1ha8 h PRO 23 Cb 1.28 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 32.00 1ha8 h PRO 23 CO 0.47 0.68 0.98 0.00 -0.23 0.00 0.00 178.00 179.90 1ha8 h ALA 25 N 3.80 0.26 -0.07 0.00 0.00 -1.59 -3.36 119.26 118.29 1ha8 h ALA 25 Ca 0.53 -1.17 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1ha8 h ALA 25 Cb 0.25 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ha8 h ALA 25 CO 1.24 0.73 0.08 -2.95 0.00 0.00 0.00 179.25 178.35 1ha8 h ASN 26 N -0.83 0.00 0.00 0.00 7.08 -1.82 -1.95 115.58 118.06 1ha8 h ASN 26 Ca -0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 1ha8 h ASN 26 Cb 1.40 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.64 1ha8 h ASN 26 CO -0.14 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.21 1ha8 n LEU 28 N -0.89 1.39 0.00 0.00 7.99 -0.73 -4.54 117.00 120.22 1ha8 n LEU 28 Ca 0.11 0.23 -0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1ha8 n LEU 28 Cb 0.05 -0.55 -0.00 0.00 -0.11 0.00 0.00 43.42 42.81 1ha8 n LEU 28 CO 0.08 0.13 0.11 0.00 -1.51 0.00 0.00 177.39 176.20 1ha8 h ALA 29 N -0.65 -0.22 -0.70 -1.18 0.00 -1.68 -3.36 119.26 111.47 1ha8 h ALA 29 Ca -0.32 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.86 1ha8 h ALA 29 Cb 1.18 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1ha8 h ALA 29 CO -0.20 -0.22 2.34 0.41 0.00 0.00 0.00 179.25 181.58 1ha8 n GLY 30 N 1.33 4.19 2.53 0.00 0.00 -1.19 -4.74 105.19 107.31 1ha8 n GLY 30 Ca -0.00 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 1ha8 n GLY 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ha8 n TYR 31 N 5.43 2.78 0.08 1.61 4.11 -1.26 -4.57 117.16 125.34 1ha8 n TYR 31 Ca 0.45 -3.03 -0.05 0.00 -0.00 0.00 0.00 57.90 55.26 1ha8 n TYR 31 Cb 0.39 -0.17 -0.07 0.00 -0.00 0.00 0.00 39.34 39.50 1ha8 n TYR 31 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1ha8 h PRO 32 N 2.70 0.00 -0.13 -3.48 0.13 -1.94 -1.46 132.00 127.83 1ha8 h PRO 32 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ha8 h PRO 32 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ha8 h PRO 32 CO 0.75 0.91 0.00 0.00 -0.23 0.00 0.00 178.00 179.43 1ha8 n ALA 33 N -2.35 2.49 -0.25 -0.56 0.00 -1.26 -4.79 120.51 113.80 1ha8 n ALA 33 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.90 1ha8 n ALA 33 Cb 0.88 -0.96 0.41 0.00 0.00 0.00 0.00 19.45 19.77 1ha8 n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ha8 h GLY 34 N 4.76 1.10 2.00 0.00 0.00 -1.61 0.20 103.07 109.52 1ha8 h GLY 34 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ha8 h GLY 34 CO 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 176.54 176.62 1ha8 n SER 36 N -3.25 0.56 -4.57 0.00 2.88 0.67 -4.60 113.62 105.30 1ha8 n SER 36 Ca -0.03 -0.45 -0.39 0.00 -1.33 0.00 0.00 58.87 56.67 1ha8 n SER 36 Cb 0.08 1.27 -0.02 0.00 -0.75 0.00 0.00 64.21 64.79 1ha8 n SER 36 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ha8 s ASN 37 N -3.76 6.39 0.50 -3.46 -0.87 -0.53 -4.81 114.94 108.40 1ha8 s ASN 37 Ca 0.02 -2.02 0.33 0.00 -1.57 0.00 0.00 52.86 49.62 1ha8 s ASN 37 Cb 0.15 -2.58 1.45 0.00 -0.02 0.00 0.00 41.25 40.25 1ha8 s ASN 37 CO 0.86 -1.63 1.77 -1.28 -2.57 0.00 0.00 177.10 174.26 1ha8 h SER 38 N 8.58 0.12 -0.92 -1.22 0.87 -1.81 0.43 113.55 119.60 1ha8 h SER 38 Ca 0.34 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.02 1ha8 h SER 38 Cb 0.92 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 1ha8 h SER 38 CO 1.40 0.01 0.57 -0.78 -0.53 0.00 0.00 176.83 177.50 1ha8 h ASP 39 N 0.10 0.85 0.00 6.23 3.58 -1.92 -3.04 116.42 122.21 1ha8 h ASP 39 Ca 0.61 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.10 1ha8 h ASP 39 Cb 2.20 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 43.11 1ha8 h ASP 39 CO -0.10 0.49 -1.00 0.00 -2.88 0.00 0.00 179.24 175.75 1ha8 h THR 41 N 0.00 0.93 -0.34 0.00 2.02 -0.52 0.05 112.91 115.05 1ha8 h THR 41 Ca 0.00 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1ha8 h THR 41 Cb 0.47 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ha8 h THR 41 CO 0.00 0.08 -0.40 0.00 0.37 0.00 0.00 175.52 175.57 1ha8 h ALA 42 N 1.26 0.50 0.09 6.16 0.00 -1.84 0.28 119.26 125.72 1ha8 h ALA 42 Ca 0.20 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ha8 h ALA 42 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1ha8 h ALA 42 CO -0.16 0.61 -0.47 0.35 0.00 0.00 0.00 179.25 179.58 1ha8 h PHE 43 N 0.66 -1.34 -0.19 0.00 3.04 -1.81 -2.47 116.94 114.84 1ha8 h PHE 43 Ca 0.05 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 1ha8 h PHE 43 Cb 0.99 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 40.06 1ha8 h PHE 43 CO 0.07 -0.55 -0.14 -0.07 -2.02 0.00 0.00 178.31 175.59 1ha8 h LEU 44 N -0.68 0.30 -1.21 0.59 3.38 -0.76 0.88 115.31 117.80 1ha8 h LEU 44 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ha8 h LEU 44 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ha8 h LEU 44 CO -0.28 0.47 0.00 -1.20 0.09 0.00 0.00 178.44 177.52 1ha8 n SER 45 N -4.24 0.61 -0.03 -0.43 7.64 0.98 -0.10 113.62 118.05 1ha8 n SER 45 Ca -0.00 0.73 -0.03 0.00 1.01 0.00 0.00 58.87 60.59 1ha8 n SER 45 Cb 0.30 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 62.66 1ha8 n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ha8 n GLN 46 N -2.26 0.21 -0.03 1.43 6.02 -0.10 -3.28 117.38 119.37 1ha8 n GLN 46 Ca -0.00 0.31 0.02 0.00 -0.01 0.00 0.00 57.00 57.32 1ha8 n GLN 46 Cb 0.10 -1.12 0.36 0.00 1.02 0.00 0.00 30.24 30.60 1ha8 n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ha8 n TYR 48 N -4.41 0.00 0.00 0.00 4.01 0.85 -4.98 117.16 112.63 1ha8 n TYR 48 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1ha8 n TYR 48 Cb 0.11 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1ha8 n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ha8 n GLY 49 N 1.60 3.13 0.00 2.72 0.00 -0.61 -4.75 105.19 107.28 1ha8 n GLY 49 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ha8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha8 n GLY 50 N -1.39 0.94 0.00 -0.02 0.00 -1.04 -4.46 105.19 99.21 1ha8 n GLY 50 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32