#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha8 n GLU 2 N 0.00 0.05 0.25 1.61 0.28 -1.26 -4.39 120.64 117.19 1ha8 n GLU 2 Ca 0.00 0.02 -0.16 0.00 -0.16 0.00 0.00 57.16 56.86 1ha8 n GLU 2 Cb 0.00 -0.59 -0.08 0.00 1.43 0.00 0.00 31.44 32.19 1ha8 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ha8 h GLU 4 N -0.62 0.78 0.00 0.00 5.08 -1.88 -1.71 114.58 116.24 1ha8 h GLU 4 Ca -0.06 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1ha8 h GLU 4 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ha8 h GLU 4 CO 0.10 0.52 -0.44 0.37 -1.00 0.00 0.00 179.01 178.56 1ha8 h GLN 5 N 0.81 0.00 -0.24 2.33 5.75 -1.60 0.08 115.11 122.23 1ha8 h GLN 5 Ca 0.43 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.84 1ha8 h GLN 5 Cb 0.54 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1ha8 h GLN 5 CO -0.20 0.44 -0.20 0.00 -2.65 0.00 0.00 178.83 176.22 1ha8 h PHE 7 N 0.27 1.06 0.00 0.00 -1.00 -0.76 -0.72 116.94 115.79 1ha8 h PHE 7 Ca 0.04 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 1ha8 h PHE 7 Cb 0.74 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1ha8 h PHE 7 CO 0.07 0.51 -0.00 0.77 -1.61 0.00 0.00 178.31 178.05 1ha8 h SER 8 N 1.01 0.00 -0.68 2.17 0.02 -0.90 -3.06 113.55 112.10 1ha8 h SER 8 Ca 0.42 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.88 1ha8 h SER 8 Cb 0.31 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.47 1ha8 h SER 8 CO -0.18 0.00 -0.68 -0.67 -1.14 0.00 0.00 176.83 174.17 1ha8 n ASP 9 N -4.08 4.72 0.00 3.07 -0.08 -0.37 -4.90 116.55 114.90 1ha8 n ASP 9 Ca -0.03 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.48 1ha8 n ASP 9 Cb 0.09 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.15 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 -0.77 1.04 3.76 0.27 0.00 -1.10 -5.00 105.19 103.39 1ha8 n GLY 10 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.57 2.71 0.00 -0.02 0.00 -0.63 -4.92 107.32 102.89 1ha8 s GLY 11 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.04 1ha8 s GLY 11 CO 0.00 2.10 0.00 1.34 0.00 0.00 0.00 173.10 176.54 1ha8 n ASP 12 N 1.41 1.08 0.00 1.64 2.03 -1.26 -4.71 116.55 116.74 1ha8 n ASP 12 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ha8 n ASP 12 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ha8 h THR 14 N 0.00 0.31 -0.32 0.00 2.02 -1.98 -2.33 112.91 110.62 1ha8 h THR 14 Ca 0.00 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.98 1ha8 h THR 14 Cb 0.00 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 66.63 1ha8 h THR 14 CO 0.00 0.00 0.26 1.07 0.37 0.00 0.00 175.52 177.22 1ha8 n THR 15 N -5.42 2.31 0.00 3.16 5.66 -1.26 -2.73 114.28 116.00 1ha8 n THR 15 Ca 0.05 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 59.94 1ha8 n THR 15 Cb 0.33 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 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 0.00 -0.89 0.00 3.57 -1.45 -3.27 116.94 114.91 1ha8 h PHE 17 Ca 0.00 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 1ha8 h PHE 17 Cb 0.00 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1ha8 h PHE 17 CO 0.00 0.08 -0.17 -1.71 -2.23 0.00 0.00 178.31 174.29 1ha8 n ASN 18 N -4.16 -3.70 -3.34 0.41 5.15 -1.26 -1.33 115.26 107.04 1ha8 n ASN 18 Ca -0.03 0.22 -0.18 0.00 -0.60 0.00 0.00 54.58 54.00 1ha8 n ASN 18 Cb 0.17 -3.04 0.06 0.00 -0.53 0.00 0.00 39.78 36.44 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 -0.23 -6.44 0.00 1.20 5.15 -1.26 -4.13 115.26 109.56 1ha8 n ASN 19 Ca -0.09 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1ha8 n ASN 19 Cb 0.41 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 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 -1.36 0.52 2.51 8.20 0.00 -0.44 -4.93 105.19 109.69 1ha8 n GLY 20 Ca -0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.51 0.20 -4.48 2.61 5.66 -1.14 -5.00 114.28 108.62 1ha8 n THR 21 Ca 0.00 -1.21 -0.25 0.00 -3.05 0.00 0.00 64.05 59.54 1ha8 n THR 21 Cb 0.35 1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 70.05 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 -1.21 3.15 0.24 1.09 0.00 -1.15 -4.78 105.19 102.53 1ha8 n GLY 22 Ca -0.15 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.51 -5.83 1.61 0.13 -1.87 -2.94 132.00 122.59 1ha8 h PRO 23 Ca -0.32 0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 1ha8 h PRO 23 Cb 1.26 0.11 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 1ha8 h PRO 23 CO 0.49 -0.20 1.76 0.00 -0.23 0.00 0.00 178.00 179.82 1ha8 n ALA 25 N 8.29 2.53 0.17 0.00 0.00 -1.11 -4.21 120.51 126.19 1ha8 n ALA 25 Ca 0.40 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.89 1ha8 n ALA 25 Cb 0.48 0.45 0.21 0.00 0.00 0.00 0.00 19.45 20.58 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 0.00 0.00 0.00 4.21 -1.82 -1.61 115.58 116.36 1ha8 h ASN 26 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ha8 h ASN 26 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1ha8 h ASN 26 CO 0.00 0.38 0.00 0.00 -1.29 0.00 0.00 177.43 176.52 1ha8 n LEU 28 N -0.81 0.84 0.28 0.00 7.99 -0.62 -4.57 117.00 120.12 1ha8 n LEU 28 Ca 0.04 0.12 0.18 0.00 -0.01 0.00 0.00 56.01 56.35 1ha8 n LEU 28 Cb 0.02 -0.35 0.83 0.00 -0.11 0.00 0.00 43.42 43.81 1ha8 n LEU 28 CO 0.03 -0.56 1.03 0.00 -1.51 0.00 0.00 177.39 176.39 1ha8 h ALA 29 N -0.46 1.00 -1.58 -1.18 0.00 -1.59 -3.24 119.26 112.21 1ha8 h ALA 29 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1ha8 h ALA 29 Cb 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.74 1ha8 h ALA 29 CO 0.00 0.00 -0.68 0.20 0.00 0.00 0.00 179.25 178.77 1ha8 s GLY 30 N -4.08 -0.27 -0.51 0.00 0.00 -1.24 -5.07 107.32 96.16 1ha8 s GLY 30 Ca -0.01 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1ha8 s GLY 30 CO 0.47 3.02 1.28 1.58 0.00 0.00 0.00 173.10 179.45 1ha8 n TYR 31 N 3.10 3.32 1.71 1.90 4.11 -1.23 -4.77 117.16 125.30 1ha8 n TYR 31 Ca 0.21 -2.96 0.15 0.00 -0.00 0.00 0.00 57.90 55.31 1ha8 n TYR 31 Cb 0.52 -0.29 0.75 0.00 -0.00 0.00 0.00 39.34 40.32 1ha8 n TYR 31 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1ha8 n PRO 32 N -0.50 1.08 0.00 -3.48 -0.04 -1.26 -2.40 135.00 128.40 1ha8 n PRO 32 Ca 0.42 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ha8 n PRO 32 Cb 0.59 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1ha8 n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ha8 n ALA 33 N -0.69 2.14 0.19 0.55 0.00 -1.26 -4.90 120.51 116.55 1ha8 n ALA 33 Ca 0.20 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1ha8 n ALA 33 Cb 0.22 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.00 1.96 0.00 0.00 -1.82 0.03 103.07 103.24 1ha8 h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ha8 h GLY 34 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.56 1ha8 h SER 36 N 0.00 0.31 -1.69 0.00 4.64 -1.37 -3.45 113.55 111.99 1ha8 h SER 36 Ca 0.00 -0.45 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 1ha8 h SER 36 Cb 0.04 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 61.95 1ha8 h SER 36 CO -0.00 1.38 1.25 0.20 -0.87 0.00 0.00 176.83 178.80 1ha8 s ASN 37 N -6.85 6.21 0.43 4.97 -0.87 -0.60 -4.90 114.94 113.32 1ha8 s ASN 37 Ca -0.08 -0.86 0.16 0.00 -1.57 0.00 0.00 52.86 50.50 1ha8 s ASN 37 Cb 0.07 -2.56 1.07 0.00 -0.02 0.00 0.00 41.25 39.81 1ha8 s ASN 37 CO 0.84 -1.77 1.92 0.28 -2.57 0.00 0.00 177.10 175.80 1ha8 h SER 38 N 10.27 0.37 -1.00 -1.22 0.02 -1.86 0.22 113.55 120.36 1ha8 h SER 38 Ca -0.04 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.11 1ha8 h SER 38 Cb 1.04 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.42 1ha8 h SER 38 CO 1.34 0.19 0.61 -0.78 -1.14 0.00 0.00 176.83 177.06 1ha8 h ASP 39 N 0.40 0.75 0.02 3.07 3.58 -1.91 -2.84 116.42 119.49 1ha8 h ASP 39 Ca 0.36 0.09 -0.39 0.00 0.42 0.00 0.00 57.03 57.51 1ha8 h ASP 39 Cb 0.86 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.80 1ha8 h ASP 39 CO -0.11 0.28 -2.30 0.00 -2.88 0.00 0.00 179.24 174.22 1ha8 h THR 41 N -0.29 0.10 -0.13 0.00 2.02 -0.56 0.18 112.91 114.23 1ha8 h THR 41 Ca -0.56 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.53 1ha8 h THR 41 Cb 1.81 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1ha8 h THR 41 CO -0.14 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.48 1ha8 h ALA 42 N 1.91 1.29 0.11 6.16 0.00 -1.73 0.12 119.26 127.13 1ha8 h ALA 42 Ca 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ha8 h ALA 42 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ha8 h ALA 42 CO -0.89 0.48 -0.05 0.35 0.00 0.00 0.00 179.25 179.13 1ha8 h PHE 43 N 0.22 -0.14 -0.20 0.00 3.04 -1.48 -3.37 116.94 115.01 1ha8 h PHE 43 Ca 0.03 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.04 1ha8 h PHE 43 Cb 0.60 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 1ha8 h PHE 43 CO 0.01 0.33 0.16 -0.07 -2.02 0.00 0.00 178.31 176.72 1ha8 h LEU 44 N -0.90 0.00 -0.44 0.59 3.38 -0.24 0.19 115.31 117.89 1ha8 h LEU 44 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ha8 h LEU 44 Cb 0.54 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1ha8 h LEU 44 CO 0.03 0.00 -0.39 -1.28 0.09 0.00 0.00 178.44 176.89 1ha8 h SER 45 N 0.00 -1.29 0.35 -0.43 0.87 -0.93 0.12 113.55 112.24 1ha8 h SER 45 Ca 0.09 0.21 -0.32 0.00 -1.23 0.00 0.00 61.79 60.54 1ha8 h SER 45 Cb 0.41 0.59 0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1ha8 h SER 45 CO -0.00 -0.34 -1.48 1.56 -0.53 0.00 0.00 176.83 176.03 1ha8 h GLN 46 N -0.28 0.43 -0.02 2.24 7.50 -1.31 -2.21 115.11 121.47 1ha8 h GLN 46 Ca 0.16 -0.74 -0.13 0.00 0.50 0.00 0.00 58.65 58.44 1ha8 h GLN 46 Cb 0.57 0.28 -0.02 0.00 0.05 0.00 0.00 27.48 28.36 1ha8 h GLN 46 CO -0.59 1.35 -0.61 0.00 -1.50 0.00 0.00 178.83 177.49 1ha8 n TYR 48 N -3.84 0.00 0.00 0.00 4.01 -0.04 -5.04 117.16 112.25 1ha8 n TYR 48 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ha8 n TYR 48 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 2.86 0.47 1.79 2.72 0.00 -0.78 -4.91 105.19 107.33 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 0.00 -0.59 3.48 -0.02 0.00 -1.10 -4.82 105.19 102.14 1ha8 n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32