#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 0.63 0.21 1.61 4.11 -1.93 -1.11 114.58 118.10 1ha8 h GLU 2 Ca 0.00 -0.10 -0.34 0.00 0.07 0.00 0.00 59.36 59.00 1ha8 h GLU 2 Cb 0.00 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ha8 h GLU 2 CO 0.00 0.55 -1.57 0.00 0.07 0.00 0.00 179.01 178.06 1ha8 h GLU 4 N 0.12 -0.18 0.00 0.00 5.08 -1.54 -2.48 114.58 115.58 1ha8 h GLU 4 Ca -0.28 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1ha8 h GLU 4 Cb 2.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1ha8 h GLU 4 CO 0.23 -0.12 -0.33 0.37 -1.00 0.00 0.00 179.01 178.15 1ha8 h GLN 5 N -0.19 0.00 -0.39 2.33 5.75 -1.06 0.76 115.11 122.31 1ha8 h GLN 5 Ca 0.21 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.66 1ha8 h GLN 5 Cb 0.53 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1ha8 h GLN 5 CO -0.59 0.33 0.05 0.00 -2.65 0.00 0.00 178.83 175.98 1ha8 h PHE 7 N 0.50 1.17 -0.94 0.00 0.04 -0.90 -1.49 116.94 115.32 1ha8 h PHE 7 Ca 0.12 -0.10 0.08 0.00 2.80 0.00 0.00 57.97 60.87 1ha8 h PHE 7 Cb 0.38 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 1ha8 h PHE 7 CO 0.03 0.90 0.59 0.77 -0.60 0.00 0.00 178.31 180.00 1ha8 h SER 8 N 1.11 0.92 -0.30 2.17 0.02 -0.72 -1.51 113.55 115.23 1ha8 h SER 8 Ca 0.25 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 61.04 1ha8 h SER 8 Cb 0.24 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.52 1ha8 h SER 8 CO -0.02 0.56 0.24 -0.67 -1.14 0.00 0.00 176.83 175.81 1ha8 n ASP 9 N -4.58 4.94 0.00 3.07 2.03 -0.59 -4.84 116.55 116.57 1ha8 n ASP 9 Ca 0.15 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1ha8 n ASP 9 Cb 0.23 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ha8 n GLY 10 N 0.46 0.41 3.84 0.27 0.00 -0.57 -5.00 105.19 104.59 1ha8 n GLY 10 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 1.59 0.00 -0.02 0.00 -0.64 -4.98 107.32 101.27 1ha8 s GLY 11 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1ha8 s GLY 11 CO 0.00 0.01 0.00 2.09 0.00 0.00 0.00 173.10 175.20 1ha8 n ASP 12 N -3.48 0.00 0.00 1.64 5.68 -1.26 -4.58 116.55 114.55 1ha8 n ASP 12 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1ha8 n ASP 12 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.00 -0.24 0.00 2.02 -2.00 -3.35 112.91 109.34 1ha8 h THR 14 Ca 0.00 -0.38 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 1ha8 h THR 14 Cb 0.16 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 1ha8 h THR 14 CO 0.00 0.00 0.19 1.07 0.37 0.00 0.00 175.52 177.15 1ha8 n THR 15 N -4.97 2.00 -1.50 3.16 5.66 -1.26 -1.49 114.28 115.88 1ha8 n THR 15 Ca -0.09 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 1ha8 n THR 15 Cb 0.28 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 1ha8 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ha8 n PHE 17 N 0.00 0.00 -3.18 0.00 7.35 -0.55 -1.43 117.46 119.65 1ha8 n PHE 17 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1ha8 n PHE 17 Cb 0.38 -0.65 -0.01 0.00 0.35 0.00 0.00 39.48 39.55 1ha8 n PHE 17 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ha8 n ASN 18 N -2.45 -3.00 -4.25 -2.13 5.15 -1.26 -0.67 115.26 106.66 1ha8 n ASN 18 Ca -0.20 -0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.21 1ha8 n ASN 18 Cb 0.88 -2.54 -0.07 0.00 -0.53 0.00 0.00 39.78 37.53 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 -2.07 -0.46 0.00 1.20 5.15 -1.26 -3.43 115.26 114.38 1ha8 n ASN 19 Ca -0.02 -1.28 0.00 0.00 -0.60 0.00 0.00 54.58 52.68 1ha8 n ASN 19 Cb 0.53 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 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 -2.45 0.98 2.76 8.20 0.00 0.16 -4.97 105.19 109.87 1ha8 n GLY 20 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.57 1.37 -4.74 2.61 5.66 -1.00 -4.84 114.28 111.78 1ha8 n THR 21 Ca 0.00 -3.05 -0.32 0.00 -3.05 0.00 0.00 64.05 57.63 1ha8 n THR 21 Cb 0.00 1.05 -0.08 0.00 -1.55 0.00 0.00 70.33 69.75 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ha8 s GLY 22 N -3.75 3.00 0.04 1.09 0.00 -0.80 -4.72 107.32 102.18 1ha8 s GLY 22 Ca 0.29 -0.41 -0.25 0.00 0.00 0.00 0.00 44.72 44.35 1ha8 s GLY 22 CO -0.03 -2.16 1.49 -0.56 0.00 0.00 0.00 173.10 171.84 1ha8 h PRO 23 N 1.39 -0.08 -4.04 2.90 0.13 -1.81 -3.16 132.00 127.31 1ha8 h PRO 23 Ca -0.43 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.93 1ha8 h PRO 23 Cb 1.31 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 1ha8 h PRO 23 CO 0.72 0.16 0.75 0.00 -0.23 0.00 0.00 178.00 179.40 1ha8 n ALA 25 N 3.93 3.00 0.26 0.00 0.00 -1.20 -4.13 120.51 122.37 1ha8 n ALA 25 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1ha8 n ALA 25 Cb 0.41 0.38 0.69 0.00 0.00 0.00 0.00 19.45 20.93 1ha8 n ALA 25 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1ha8 h ASN 26 N 0.00 0.00 0.00 0.00 7.08 -1.84 -0.67 115.58 120.16 1ha8 h ASN 26 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ha8 h ASN 26 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 1ha8 h ASN 26 CO 0.00 0.13 0.00 0.00 -2.08 0.00 0.00 177.43 175.48 1ha8 n LEU 28 N -0.87 0.16 0.00 0.00 7.99 -0.26 -4.54 117.00 119.48 1ha8 n LEU 28 Ca 0.05 0.02 0.09 0.00 -0.01 0.00 0.00 56.01 56.16 1ha8 n LEU 28 Cb 0.02 -0.26 0.49 0.00 -0.11 0.00 0.00 43.42 43.56 1ha8 n LEU 28 CO 0.03 -0.50 0.74 0.00 -1.51 0.00 0.00 177.39 176.15 1ha8 n ALA 29 N -2.66 2.07 -2.86 -1.18 0.00 -1.22 -3.30 120.51 111.36 1ha8 n ALA 29 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1ha8 n ALA 29 Cb 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 0.14 0.32 2.49 0.00 0.00 -1.05 -5.08 105.19 102.01 1ha8 n GLY 30 Ca 0.11 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 2.18 3.00 0.20 1.61 4.11 -1.21 -4.60 117.16 122.44 1ha8 n TYR 31 Ca 0.15 -3.02 0.07 0.00 -0.00 0.00 0.00 57.90 55.10 1ha8 n TYR 31 Cb 0.58 -0.14 0.37 0.00 -0.00 0.00 0.00 39.34 40.15 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 2.63 0.00 -0.08 -3.48 0.13 -1.94 -2.09 132.00 127.17 1ha8 h PRO 32 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 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 0.78 0.34 0.00 0.00 -0.23 0.00 0.00 178.00 178.89 1ha8 n ALA 33 N -2.28 2.44 0.27 -0.56 0.00 -1.26 -4.77 120.51 114.34 1ha8 n ALA 33 Ca -0.00 -0.70 0.11 0.00 0.00 0.00 0.00 53.44 52.84 1ha8 n ALA 33 Cb 0.49 -0.49 0.73 0.00 0.00 0.00 0.00 19.45 20.18 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 2.74 0.00 2.00 0.00 0.00 -1.71 0.29 103.07 106.39 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 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ha8 n SER 36 N -3.46 0.63 -4.52 0.00 3.41 0.09 -4.66 113.62 105.10 1ha8 n SER 36 Ca -0.03 -0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 1ha8 n SER 36 Cb 0.08 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 1ha8 n SER 36 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ha8 s ASN 37 N -3.90 6.58 0.43 4.04 -0.87 -0.61 -4.88 114.94 115.74 1ha8 s ASN 37 Ca 0.04 -1.76 0.19 0.00 -1.57 0.00 0.00 52.86 49.77 1ha8 s ASN 37 Cb 0.14 -2.51 1.13 0.00 -0.02 0.00 0.00 41.25 40.00 1ha8 s ASN 37 CO 0.79 -1.32 1.85 -1.28 -2.57 0.00 0.00 177.10 174.57 1ha8 h SER 38 N 9.25 0.36 -0.39 -1.22 0.87 -1.83 0.22 113.55 120.82 1ha8 h SER 38 Ca 0.21 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 1ha8 h SER 38 Cb 1.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1ha8 h SER 38 CO 1.32 0.14 0.26 -0.78 -0.53 0.00 0.00 176.83 177.24 1ha8 h ASP 39 N 0.35 0.27 0.00 6.23 3.58 -1.92 -2.35 116.42 122.59 1ha8 h ASP 39 Ca 0.47 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1ha8 h ASP 39 Cb 1.26 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1ha8 h ASP 39 CO -0.16 0.18 -1.92 0.00 -2.88 0.00 0.00 179.24 174.45 1ha8 h THR 41 N 0.00 0.33 -0.53 0.00 2.02 -0.16 0.89 112.91 115.45 1ha8 h THR 41 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1ha8 h THR 41 Cb 0.95 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1ha8 h THR 41 CO 0.00 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.05 1ha8 h ALA 42 N -0.37 1.29 0.48 6.16 0.00 -1.84 0.31 119.26 125.30 1ha8 h ALA 42 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ha8 h ALA 42 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ha8 h ALA 42 CO 0.04 0.51 -0.38 0.35 0.00 0.00 0.00 179.25 179.77 1ha8 h PHE 43 N 0.77 -1.04 -0.30 0.00 3.04 -1.80 -2.43 116.94 115.18 1ha8 h PHE 43 Ca 0.18 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ha8 h PHE 43 Cb 0.23 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1ha8 h PHE 43 CO 0.01 -0.53 0.17 -0.07 -2.02 0.00 0.00 178.31 175.87 1ha8 h LEU 44 N -0.84 0.36 -0.73 0.59 3.38 0.06 0.89 115.31 119.02 1ha8 h LEU 44 Ca -0.06 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1ha8 h LEU 44 Cb 0.70 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1ha8 h LEU 44 CO 0.01 0.28 0.40 0.28 0.09 0.00 0.00 178.44 179.50 1ha8 h SER 45 N 0.41 0.56 0.08 -0.43 0.02 -0.40 0.30 113.55 114.10 1ha8 h SER 45 Ca 0.11 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ha8 h SER 45 Cb -0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ha8 h SER 45 CO -0.02 0.34 -0.04 1.56 -1.14 0.00 0.00 176.83 177.53 1ha8 h GLN 46 N 0.70 -0.11 0.23 3.45 4.20 -0.41 -2.99 115.11 120.18 1ha8 h GLN 46 Ca 0.34 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1ha8 h GLN 46 Cb 0.29 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ha8 h GLN 46 CO -0.23 0.30 -0.11 0.00 -0.67 0.00 0.00 178.83 178.13 1ha8 h TYR 48 N -1.07 0.00 0.00 0.00 -1.99 -0.71 -3.50 116.97 109.70 1ha8 h TYR 48 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1ha8 h TYR 48 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1ha8 h TYR 48 CO 0.01 0.33 0.00 0.41 -0.00 0.00 0.00 178.16 178.91 1ha8 n GLY 49 N 1.69 0.70 1.16 3.88 0.00 -0.14 -4.96 105.19 107.51 1ha8 n GLY 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.22 0.00 -0.02 0.00 -1.24 -4.80 105.19 96.91 1ha8 n GLY 50 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32