#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 0.89 0.23 1.61 4.11 -1.95 0.13 114.58 119.60 1ha8 h GLU 2 Ca 0.00 -0.05 -0.34 0.00 0.07 0.00 0.00 59.36 59.03 1ha8 h GLU 2 Cb 0.00 -0.20 0.03 0.00 0.50 0.00 0.00 28.75 29.08 1ha8 h GLU 2 CO 0.00 0.59 -1.58 0.00 0.07 0.00 0.00 179.01 178.09 1ha8 h GLU 4 N 0.12 1.22 -0.84 0.00 5.08 -1.56 -1.65 114.58 116.96 1ha8 h GLU 4 Ca -0.29 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1ha8 h GLU 4 Cb 2.13 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 31.06 1ha8 h GLU 4 CO 0.23 0.81 0.54 0.37 -1.00 0.00 0.00 179.01 179.96 1ha8 h GLN 5 N 1.26 1.02 -0.25 2.33 5.75 -0.81 0.79 115.11 125.20 1ha8 h GLN 5 Ca 0.37 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.64 1ha8 h GLN 5 Cb -0.08 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.24 1ha8 h GLN 5 CO -0.10 0.68 -0.50 0.00 -2.65 0.00 0.00 178.83 176.26 1ha8 h PHE 7 N 0.53 0.94 -0.77 0.00 -1.00 -0.95 -2.30 116.94 113.38 1ha8 h PHE 7 Ca 0.01 -0.09 0.07 0.00 2.81 0.00 0.00 57.97 60.77 1ha8 h PHE 7 Cb 1.10 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 40.34 1ha8 h PHE 7 CO 0.08 0.78 0.51 0.77 -1.61 0.00 0.00 178.31 178.84 1ha8 h SER 8 N 0.87 0.71 -0.16 2.17 0.02 -0.79 -0.30 113.55 116.06 1ha8 h SER 8 Ca 0.19 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1ha8 h SER 8 Cb 0.31 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1ha8 h SER 8 CO -0.00 0.45 0.14 -0.67 -1.14 0.00 0.00 176.83 175.60 1ha8 n ASP 9 N -4.49 5.32 -1.20 3.07 -0.08 -1.02 -4.79 116.55 113.37 1ha8 n ASP 9 Ca 0.12 -2.57 -0.16 0.00 -1.51 0.00 0.00 54.79 50.67 1ha8 n ASP 9 Cb 0.25 -1.02 -0.07 0.00 2.34 0.00 0.00 41.12 42.62 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 0.97 1.54 3.77 0.27 0.00 -0.14 -4.96 105.19 106.64 1ha8 n GLY 10 Ca 0.10 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.69 2.80 0.00 -0.02 0.00 -0.90 -4.98 107.32 101.53 1ha8 s GLY 11 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1ha8 s GLY 11 CO 0.00 1.37 0.00 2.09 0.00 0.00 0.00 173.10 176.56 1ha8 n ASP 12 N -0.24 0.00 0.09 1.64 5.68 -1.26 -4.43 116.55 118.03 1ha8 n ASP 12 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1ha8 n ASP 12 Cb 0.48 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ha8 h THR 14 N 0.00 0.58 -0.27 0.00 2.02 -1.99 0.01 112.91 113.26 1ha8 h THR 14 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1ha8 h THR 14 Cb 0.00 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1ha8 h THR 14 CO 0.00 0.00 0.22 1.07 0.37 0.00 0.00 175.52 177.18 1ha8 n THR 15 N -5.31 2.13 0.02 3.16 5.66 -1.26 -2.51 114.28 116.16 1ha8 n THR 15 Ca -0.06 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 1ha8 n THR 15 Cb 0.23 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 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 -2.93 0.00 3.57 -0.76 -3.32 116.94 114.55 1ha8 h PHE 17 Ca 0.00 0.03 -0.38 0.00 3.53 0.00 0.00 57.97 61.16 1ha8 h PHE 17 Cb 0.00 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 1ha8 h PHE 17 CO 0.00 0.21 -0.46 -1.71 -2.23 0.00 0.00 178.31 174.12 1ha8 n ASN 18 N -4.79 -5.36 -3.61 0.41 2.85 -1.05 -1.41 115.26 102.30 1ha8 n ASN 18 Ca 0.24 0.09 -0.27 0.00 -0.11 0.00 0.00 54.58 54.53 1ha8 n ASN 18 Cb 0.59 -4.51 0.04 0.00 1.24 0.00 0.00 39.78 37.13 1ha8 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ha8 n ASN 19 N -1.85 -5.61 0.00 1.20 5.15 -1.26 -3.90 115.26 108.99 1ha8 n ASN 19 Ca -0.22 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1ha8 n ASN 19 Cb 0.66 -3.44 0.00 0.00 -0.53 0.00 0.00 39.78 36.47 1ha8 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ha8 n GLY 20 N -1.68 0.75 0.00 8.20 0.00 -0.50 -4.86 105.19 107.10 1ha8 n GLY 20 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ha8 n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ha8 n THR 21 N -2.21 0.00 -0.89 2.61 5.66 -1.11 -4.83 114.28 113.51 1ha8 n THR 21 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1ha8 n THR 21 Cb 0.00 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 1ha8 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ha8 n GLY 22 N 0.48 -0.26 0.16 1.09 0.00 -0.83 -5.00 105.19 100.83 1ha8 n GLY 22 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 1ha8 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ha8 h PRO 23 N 0.00 -0.33 -5.53 1.61 0.13 -1.86 -3.28 132.00 122.74 1ha8 h PRO 23 Ca 0.00 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.68 1ha8 h PRO 23 Cb 0.00 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.16 1ha8 h PRO 23 CO 0.00 -0.22 1.57 0.00 -0.23 0.00 0.00 178.00 179.12 1ha8 n ALA 25 N 11.82 3.00 -0.19 0.00 0.00 -1.24 -3.93 120.51 129.96 1ha8 n ALA 25 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1ha8 n ALA 25 Cb 0.46 0.34 0.43 0.00 0.00 0.00 0.00 19.45 20.68 1ha8 n ALA 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ha8 h ASN 26 N 0.00 0.52 0.00 0.00 2.35 -1.85 -0.62 115.58 115.99 1ha8 h ASN 26 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ha8 h ASN 26 Cb 0.44 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ha8 h ASN 26 CO 0.00 0.29 0.01 0.00 -1.65 0.00 0.00 177.43 176.08 1ha8 n LEU 28 N -1.12 1.53 0.00 0.00 7.99 -0.24 -4.64 117.00 120.52 1ha8 n LEU 28 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 1ha8 n LEU 28 Cb 0.01 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1ha8 n LEU 28 CO 0.00 0.24 0.08 0.00 -1.51 0.00 0.00 177.39 176.20 1ha8 n ALA 29 N -4.00 -0.04 -1.78 -1.18 0.00 -1.08 -4.19 120.51 108.24 1ha8 n ALA 29 Ca -0.34 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 1ha8 n ALA 29 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 1ha8 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ha8 n GLY 30 N 1.63 4.74 2.69 0.00 0.00 -1.09 -4.80 105.19 108.36 1ha8 n GLY 30 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 3.13 3.19 0.14 1.61 4.11 -1.25 -4.72 117.16 123.38 1ha8 n TYR 31 Ca 0.64 -2.71 -0.00 0.00 -0.00 0.00 0.00 57.90 55.82 1ha8 n TYR 31 Cb 0.27 -0.65 0.18 0.00 -0.00 0.00 0.00 39.34 39.15 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 2.78 0.00 -0.02 -3.48 0.13 -1.93 -2.94 132.00 126.53 1ha8 h PRO 32 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 1ha8 h PRO 32 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1ha8 h PRO 32 CO 1.15 0.59 -0.16 0.00 -0.23 0.00 0.00 178.00 179.35 1ha8 n ALA 33 N -2.38 2.82 -0.23 -0.56 0.00 -1.26 -4.64 120.51 114.25 1ha8 n ALA 33 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 1ha8 n ALA 33 Cb 0.62 -0.79 0.14 0.00 0.00 0.00 0.00 19.45 19.42 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 4.67 1.12 2.00 0.00 0.00 -1.85 0.27 103.07 109.28 1ha8 h GLY 34 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1ha8 h GLY 34 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.09 1ha8 n SER 36 N -2.17 1.34 -4.55 0.00 2.88 -0.02 -4.79 113.62 106.31 1ha8 n SER 36 Ca -0.01 -0.41 -0.40 0.00 -1.33 0.00 0.00 58.87 56.72 1ha8 n SER 36 Cb 0.06 1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 64.74 1ha8 n SER 36 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ha8 s ASN 37 N -2.70 6.16 0.39 -3.46 2.47 -0.60 -4.89 114.94 112.30 1ha8 s ASN 37 Ca 0.00 -0.75 0.16 0.00 0.42 0.00 0.00 52.86 52.69 1ha8 s ASN 37 Cb 0.08 -2.56 1.03 0.00 -1.45 0.00 0.00 41.25 38.35 1ha8 s ASN 37 CO 0.49 -1.81 1.82 -1.28 -3.72 0.00 0.00 177.10 172.60 1ha8 h SER 38 N 10.38 0.49 -0.29 -4.21 0.87 -1.88 0.27 113.55 119.18 1ha8 h SER 38 Ca -0.10 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1ha8 h SER 38 Cb 1.04 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1ha8 h SER 38 CO 1.32 0.17 0.12 -0.78 -0.53 0.00 0.00 176.83 177.13 1ha8 h ASP 39 N 0.47 0.45 0.09 6.23 3.58 -1.91 -2.82 116.42 122.51 1ha8 h ASP 39 Ca 0.52 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1ha8 h ASP 39 Cb 1.21 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1ha8 h ASP 39 CO -0.24 0.43 -1.18 0.00 -2.88 0.00 0.00 179.24 175.37 1ha8 h THR 41 N 0.00 0.49 -0.28 0.00 2.02 -0.35 -0.19 112.91 114.61 1ha8 h THR 41 Ca 0.00 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1ha8 h THR 41 Cb 0.63 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1ha8 h THR 41 CO 0.00 0.03 -0.19 0.00 0.37 0.00 0.00 175.52 175.73 1ha8 h ALA 42 N -0.33 1.16 0.26 6.16 0.00 -1.83 0.24 119.26 124.92 1ha8 h ALA 42 Ca -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ha8 h ALA 42 Cb 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ha8 h ALA 42 CO 0.11 0.53 -0.37 0.35 0.00 0.00 0.00 179.25 179.87 1ha8 h PHE 43 N 0.45 -1.01 0.00 0.00 3.04 -1.80 -1.86 116.94 115.76 1ha8 h PHE 43 Ca 0.07 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 1ha8 h PHE 43 Cb 0.59 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 1ha8 h PHE 43 CO 0.02 -0.50 -0.39 -0.07 -2.02 0.00 0.00 178.31 175.35 1ha8 h LEU 44 N -0.69 0.00 -1.04 0.59 3.38 -0.46 0.14 115.31 117.23 1ha8 h LEU 44 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ha8 h LEU 44 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1ha8 h LEU 44 CO -0.13 0.39 0.54 0.28 0.09 0.00 0.00 178.44 179.61 1ha8 h SER 45 N 0.00 1.06 0.04 -0.43 0.02 -0.39 0.25 113.55 114.10 1ha8 h SER 45 Ca -0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1ha8 h SER 45 Cb 0.75 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ha8 h SER 45 CO 0.05 0.81 -0.02 1.56 -1.14 0.00 0.00 176.83 178.09 1ha8 h GLN 46 N 1.22 -0.05 -0.47 3.45 1.08 -0.62 -2.93 115.11 116.80 1ha8 h GLN 46 Ca 0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1ha8 h GLN 46 Cb -0.06 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1ha8 h GLN 46 CO -0.06 -0.03 0.22 0.00 -0.95 0.00 0.00 178.83 178.01 1ha8 n TYR 48 N -4.63 0.43 -0.21 0.00 4.01 0.83 -4.95 117.16 112.64 1ha8 n TYR 48 Ca 0.01 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1ha8 n TYR 48 Cb 0.12 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 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 1.29 1.95 0.73 2.72 0.00 -1.01 -4.67 105.19 106.20 1ha8 n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -1.60 0.00 -0.02 0.00 -1.05 -4.76 105.19 95.77 1ha8 n GLY 50 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32