#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 0.26 -0.12 1.61 4.11 -1.92 0.36 114.58 118.88 1ha8 h GLU 2 Ca 0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.28 1ha8 h GLU 2 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ha8 h GLU 2 CO 0.00 0.17 -0.44 0.00 0.07 0.00 0.00 179.01 178.81 1ha8 h GLU 4 N 0.12 0.30 -0.09 0.00 5.08 -1.35 -1.29 114.58 117.34 1ha8 h GLU 4 Ca -0.02 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1ha8 h GLU 4 Cb 1.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ha8 h GLU 4 CO 0.09 0.23 -0.69 0.37 -1.00 0.00 0.00 179.01 178.02 1ha8 h GLN 5 N 0.30 0.41 -0.69 2.33 5.75 -0.75 -0.37 115.11 122.09 1ha8 h GLN 5 Ca 0.08 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1ha8 h GLN 5 Cb 0.02 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1ha8 h GLN 5 CO -0.01 0.94 0.36 0.00 -2.65 0.00 0.00 178.83 177.47 1ha8 h PHE 7 N 0.95 1.24 0.00 0.00 0.04 -1.10 0.39 116.94 118.45 1ha8 h PHE 7 Ca 0.24 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1ha8 h PHE 7 Cb 0.07 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1ha8 h PHE 7 CO -0.00 0.85 0.00 0.43 -0.60 0.00 0.00 178.31 178.99 1ha8 n SER 8 N -4.34 0.00 -1.80 2.17 7.64 -0.16 -1.89 113.62 115.23 1ha8 n SER 8 Ca 0.10 -0.40 -0.14 0.00 1.01 0.00 0.00 58.87 59.44 1ha8 n SER 8 Cb 0.10 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1ha8 n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ha8 n ASP 9 N -0.95 3.68 0.00 6.43 -0.08 -0.15 -4.96 116.55 120.52 1ha8 n ASP 9 Ca 0.08 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 49.86 1ha8 n ASP 9 Cb 0.04 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.10 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 -0.73 0.43 3.68 0.27 0.00 -0.79 -4.99 105.19 103.05 1ha8 n GLY 10 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1ha8 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha8 n GLY 11 N -1.80 0.27 0.00 -0.02 0.00 -0.06 -4.96 105.19 98.64 1ha8 n GLY 11 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ha8 n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ha8 n ASP 12 N -0.65 0.00 0.03 1.61 5.68 -1.26 -4.51 116.55 117.45 1ha8 n ASP 12 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1ha8 n ASP 12 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.16 -0.48 0.00 2.02 -2.01 -3.19 112.91 109.41 1ha8 h THR 14 Ca 0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 1ha8 h THR 14 Cb 0.03 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 66.45 1ha8 h THR 14 CO 0.00 0.00 0.38 1.07 0.37 0.00 0.00 175.52 177.34 1ha8 n THR 15 N -5.57 2.47 -1.85 3.16 5.66 -1.26 -2.15 114.28 114.74 1ha8 n THR 15 Ca -0.15 -1.34 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 1ha8 n THR 15 Cb 0.45 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 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 0.13 0.00 0.00 3.57 -1.41 -2.69 116.94 116.54 1ha8 h PHE 17 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1ha8 h PHE 17 Cb 0.61 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1ha8 h PHE 17 CO 0.00 1.15 0.00 -1.71 -2.23 0.00 0.00 178.31 175.52 1ha8 n ASN 18 N -3.21 -0.95 -1.41 0.41 2.85 -1.25 -0.65 115.26 111.04 1ha8 n ASN 18 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1ha8 n ASN 18 Cb 1.03 -1.98 0.00 0.00 1.24 0.00 0.00 39.78 40.07 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 0.03 -1.89 -0.07 1.20 5.15 -1.26 -4.48 115.26 113.95 1ha8 n ASN 19 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1ha8 n ASN 19 Cb 0.08 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 38.70 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 -1.26 0.46 0.00 8.20 0.00 -0.74 -4.78 105.19 107.08 1ha8 n GLY 20 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ha8 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ha8 n THR 21 N -2.81 0.00 -2.41 2.61 -2.24 -0.82 -4.85 114.28 103.76 1ha8 n THR 21 Ca -0.01 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 1ha8 n THR 21 Cb 0.11 1.73 0.10 0.00 -2.10 0.00 0.00 70.33 70.17 1ha8 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ha8 n GLY 22 N 0.02 0.37 0.19 3.38 0.00 0.18 -4.86 105.19 104.46 1ha8 n GLY 22 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 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 0.36 -3.38 1.61 0.13 -1.84 -3.23 132.00 125.64 1ha8 h PRO 23 Ca -0.27 -0.22 -0.80 0.00 -0.87 0.00 0.00 66.00 63.85 1ha8 h PRO 23 Cb 0.95 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 31.84 1ha8 h PRO 23 CO 0.27 0.80 0.80 0.00 -0.23 0.00 0.00 178.00 179.64 1ha8 n ALA 25 N 2.43 2.97 0.23 0.00 0.00 -1.22 -4.26 120.51 120.67 1ha8 n ALA 25 Ca 0.27 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1ha8 n ALA 25 Cb 0.37 0.47 0.55 0.00 0.00 0.00 0.00 19.45 20.83 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 2.35 -1.86 -2.02 115.58 114.05 1ha8 h ASN 26 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ha8 h ASN 26 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1ha8 h ASN 26 CO 0.00 0.22 0.03 0.00 -1.65 0.00 0.00 177.43 176.04 1ha8 n LEU 28 N -1.10 1.34 0.00 0.00 7.99 -0.76 -4.60 117.00 119.87 1ha8 n LEU 28 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 1ha8 n LEU 28 Cb 0.03 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.75 1ha8 n LEU 28 CO 0.00 -0.40 0.18 0.00 -1.51 0.00 0.00 177.39 175.66 1ha8 n ALA 29 N -3.83 -0.14 -2.05 -1.18 0.00 -1.22 -3.98 120.51 108.11 1ha8 n ALA 29 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1ha8 n ALA 29 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 0.87 4.56 2.42 0.00 0.00 -1.19 -4.74 105.19 107.11 1ha8 n GLY 30 Ca 0.00 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 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 5.00 3.30 0.03 1.61 4.11 -1.25 -4.62 117.16 125.35 1ha8 n TYR 31 Ca 0.46 -2.96 -0.19 0.00 -0.00 0.00 0.00 57.90 55.21 1ha8 n TYR 31 Cb 0.38 -0.15 -0.12 0.00 -0.00 0.00 0.00 39.34 39.45 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 2.52 0.44 0.00 -3.48 0.13 -1.93 -2.00 132.00 127.68 1ha8 h PRO 32 Ca 0.32 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ha8 h PRO 32 Cb 1.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ha8 h PRO 32 CO 0.85 1.18 -0.31 0.00 -0.23 0.00 0.00 178.00 179.49 1ha8 h ALA 33 N 0.28 0.81 0.00 -0.56 0.00 -2.01 -3.39 119.26 114.38 1ha8 h ALA 33 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ha8 h ALA 33 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ha8 h ALA 33 CO 0.15 0.00 -0.30 0.78 0.00 0.00 0.00 179.25 179.88 1ha8 h GLY 34 N 4.40 0.00 2.00 0.00 0.00 -1.63 -0.87 103.07 106.98 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 h SER 36 N 0.00 0.00 -3.07 0.00 4.64 -1.44 -3.44 113.55 110.23 1ha8 h SER 36 Ca 0.00 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.74 1ha8 h SER 36 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1ha8 h SER 36 CO 0.00 0.02 1.03 0.20 -0.87 0.00 0.00 176.83 177.20 1ha8 s ASN 37 N -5.42 6.33 0.63 4.97 -0.87 -1.07 -4.90 114.94 114.61 1ha8 s ASN 37 Ca 0.03 0.21 0.35 0.00 -1.57 0.00 0.00 52.86 51.89 1ha8 s ASN 37 Cb 0.09 -2.55 2.00 0.00 -0.02 0.00 0.00 41.25 40.77 1ha8 s ASN 37 CO 0.73 -1.56 2.22 -1.28 -2.57 0.00 0.00 177.10 174.65 1ha8 h SER 38 N 10.14 0.00 -0.52 -1.22 0.87 -1.88 0.16 113.55 121.10 1ha8 h SER 38 Ca -0.26 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.41 1ha8 h SER 38 Cb 1.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1ha8 h SER 38 CO 1.18 0.00 0.36 -0.78 -0.53 0.00 0.00 176.83 177.06 1ha8 h ASP 39 N 0.00 0.22 -0.01 6.23 3.58 -1.93 -2.88 116.42 121.62 1ha8 h ASP 39 Ca 0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ha8 h ASP 39 Cb 0.21 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1ha8 h ASP 39 CO -0.00 0.13 -0.03 0.00 -2.88 0.00 0.00 179.24 176.46 1ha8 h THR 41 N 1.14 1.42 -0.10 0.00 2.02 -1.11 0.84 112.91 117.12 1ha8 h THR 41 Ca 0.00 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 1ha8 h THR 41 Cb 0.26 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1ha8 h THR 41 CO 0.00 0.34 -0.25 0.00 0.37 0.00 0.00 175.52 175.98 1ha8 h ALA 42 N 0.48 1.40 -0.22 6.16 0.00 -1.87 0.21 119.26 125.42 1ha8 h ALA 42 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ha8 h ALA 42 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ha8 h ALA 42 CO 0.01 0.42 0.00 0.34 0.00 0.00 0.00 179.25 180.02 1ha8 n PHE 43 N -4.18 0.00 0.18 0.00 -0.00 -1.17 -3.00 117.46 109.29 1ha8 n PHE 43 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.49 1ha8 n PHE 43 Cb 0.35 -0.46 0.52 0.00 -0.00 0.00 0.00 39.48 39.88 1ha8 n PHE 43 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1ha8 h LEU 44 N 0.00 0.12 -0.66 -2.13 3.38 -0.40 0.12 115.31 115.73 1ha8 h LEU 44 Ca 0.00 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1ha8 h LEU 44 Cb 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1ha8 h LEU 44 CO 0.00 0.18 0.16 -1.28 0.09 0.00 0.00 178.44 177.58 1ha8 h SER 45 N 0.13 0.02 0.06 -0.43 0.87 -0.71 0.15 113.55 113.64 1ha8 h SER 45 Ca 0.03 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1ha8 h SER 45 Cb 0.15 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1ha8 h SER 45 CO 0.01 -0.00 -0.03 1.56 -0.53 0.00 0.00 176.83 177.83 1ha8 h GLN 46 N 0.28 -0.08 -0.62 2.24 4.20 -0.93 -2.18 115.11 118.02 1ha8 h GLN 46 Ca 0.36 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 1ha8 h GLN 46 Cb 0.57 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1ha8 h GLN 46 CO -0.45 -0.06 0.16 0.00 -0.67 0.00 0.00 178.83 177.82 1ha8 n TYR 48 N -4.26 0.55 0.00 0.00 4.01 0.41 -4.99 117.16 112.88 1ha8 n TYR 48 Ca 0.05 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1ha8 n TYR 48 Cb 0.23 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.19 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 1.96 1.51 0.00 2.72 0.00 -0.53 -4.97 105.19 105.87 1ha8 n GLY 49 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.82 -2.09 0.00 -0.02 0.00 -0.53 -4.65 105.19 97.08 1ha8 n GLY 50 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32