#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 1.11 -0.50 1.61 4.11 -1.93 -0.86 114.58 118.12 1ha8 h GLU 2 Ca 0.00 -0.10 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 1ha8 h GLU 2 Cb 0.00 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1ha8 h GLU 2 CO 0.00 0.78 -0.09 0.00 0.07 0.00 0.00 179.01 179.76 1ha8 h GLU 4 N 0.83 0.38 -0.31 0.00 5.08 -1.67 -2.25 114.58 116.63 1ha8 h GLU 4 Ca 0.14 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ha8 h GLU 4 Cb 0.62 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ha8 h GLU 4 CO 0.04 1.01 0.18 0.37 -1.00 0.00 0.00 179.01 179.62 1ha8 h GLN 5 N 0.24 0.43 -0.70 2.33 5.75 -0.96 -0.59 115.11 121.60 1ha8 h GLN 5 Ca -0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1ha8 h GLN 5 Cb 1.43 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.86 1ha8 h GLN 5 CO 0.14 0.34 0.45 0.00 -2.65 0.00 0.00 178.83 177.11 1ha8 h PHE 7 N 0.95 0.31 0.00 0.00 -1.00 -1.16 -1.48 116.94 114.56 1ha8 h PHE 7 Ca 0.25 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1ha8 h PHE 7 Cb -0.08 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1ha8 h PHE 7 CO -0.02 0.11 0.00 0.43 -1.61 0.00 0.00 178.31 177.22 1ha8 n SER 8 N -5.00 0.40 -2.16 2.17 7.64 -0.25 -1.38 113.62 115.03 1ha8 n SER 8 Ca 0.04 0.64 -0.29 0.00 1.01 0.00 0.00 58.87 60.27 1ha8 n SER 8 Cb 0.18 -0.71 0.08 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.98 6.32 -2.93 6.43 2.03 -0.61 -4.90 116.55 120.91 1ha8 n ASP 9 Ca 0.01 -3.77 -0.13 0.00 0.52 0.00 0.00 54.79 51.43 1ha8 n ASP 9 Cb 0.12 -0.79 0.06 0.00 -0.72 0.00 0.00 41.12 39.79 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 -0.90 -0.52 3.87 0.27 0.00 -0.48 -5.01 105.19 102.42 1ha8 n GLY 10 Ca 0.56 0.23 -0.36 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.65 2.30 0.04 -0.02 0.00 -0.66 -4.96 107.32 100.37 1ha8 s GLY 11 Ca 0.21 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 1ha8 s GLY 11 CO 0.59 -0.23 -0.01 2.09 0.00 0.00 0.00 173.10 175.53 1ha8 n ASP 12 N 1.36 0.55 0.02 1.64 5.68 -1.26 -4.64 116.55 119.89 1ha8 n ASP 12 Ca -0.13 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1ha8 n ASP 12 Cb 0.53 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 1.27 0.00 0.00 2.02 -1.98 -0.55 112.91 113.66 1ha8 h THR 14 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1ha8 h THR 14 Cb 0.00 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1ha8 h THR 14 CO 0.00 0.41 0.00 1.07 0.37 0.00 0.00 175.52 177.37 1ha8 n THR 15 N -4.24 1.57 0.08 3.16 5.66 -1.26 -2.87 114.28 116.37 1ha8 n THR 15 Ca 0.01 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1ha8 n THR 15 Cb 0.35 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 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 0.96 0.00 0.00 3.57 -0.96 -3.35 116.94 117.16 1ha8 h PHE 17 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ha8 h PHE 17 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1ha8 h PHE 17 CO 0.00 0.07 0.00 -1.71 -2.23 0.00 0.00 178.31 174.44 1ha8 n ASN 18 N -4.84 0.00 -1.41 0.41 2.85 -1.24 -1.92 115.26 109.12 1ha8 n ASN 18 Ca 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1ha8 n ASN 18 Cb 0.76 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 40.72 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 0.00 -1.88 0.00 1.20 2.85 -1.26 -4.73 115.26 111.43 1ha8 n ASN 19 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ha8 n ASN 19 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 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 -1.40 0.62 0.00 8.20 0.00 -0.81 -4.85 105.19 106.96 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 -0.37 0.00 0.00 0.00 173.32 172.95 1ha8 n THR 21 N -2.71 0.00 -0.84 2.61 5.66 -1.24 -4.88 114.28 112.88 1ha8 n THR 21 Ca 0.00 -0.39 -0.27 0.00 -3.05 0.00 0.00 64.05 60.34 1ha8 n THR 21 Cb 0.00 1.11 0.23 0.00 -1.55 0.00 0.00 70.33 70.12 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 0.41 -2.98 0.13 1.09 0.00 -0.84 -4.92 105.19 98.07 1ha8 n GLY 22 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.20 -5.37 1.61 0.13 -1.86 -3.11 132.00 123.20 1ha8 h PRO 23 Ca -0.36 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.12 1ha8 h PRO 23 Cb 1.14 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1ha8 h PRO 23 CO 0.23 0.24 1.07 0.00 -0.23 0.00 0.00 178.00 179.31 1ha8 n ALA 25 N 7.29 3.00 0.30 0.00 0.00 -1.18 -4.06 120.51 125.87 1ha8 n ALA 25 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.88 1ha8 n ALA 25 Cb 0.50 0.36 0.69 0.00 0.00 0.00 0.00 19.45 21.00 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 -1.83 -1.05 115.58 115.05 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 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1ha8 h ASN 26 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1ha8 n LEU 28 N -0.82 0.18 0.15 0.00 7.99 -0.40 -4.59 117.00 119.52 1ha8 n LEU 28 Ca 0.04 0.03 -0.13 0.00 -0.01 0.00 0.00 56.01 55.93 1ha8 n LEU 28 Cb 0.02 -0.23 -0.08 0.00 -0.11 0.00 0.00 43.42 43.02 1ha8 n LEU 28 CO 0.03 -0.51 0.51 0.00 -1.51 0.00 0.00 177.39 175.91 1ha8 h ALA 29 N -0.72 -0.98 -3.20 -1.18 0.00 -1.73 -3.24 119.26 108.21 1ha8 h ALA 29 Ca 0.00 -0.11 -0.69 0.00 0.00 0.00 0.00 54.91 54.11 1ha8 h ALA 29 Cb 0.05 0.72 -0.36 0.00 0.00 0.00 0.00 17.79 18.20 1ha8 h ALA 29 CO 0.00 -1.04 -0.42 0.20 0.00 0.00 0.00 179.25 177.99 1ha8 s GLY 30 N -1.90 2.44 -0.40 0.00 0.00 -1.26 -4.99 107.32 101.22 1ha8 s GLY 30 Ca -0.13 -3.19 0.08 0.00 0.00 0.00 0.00 44.72 41.48 1ha8 s GLY 30 CO 0.46 1.08 1.09 1.58 0.00 0.00 0.00 173.10 177.31 1ha8 n TYR 31 N 3.55 2.90 1.13 1.90 4.11 -1.23 -4.82 117.16 124.70 1ha8 n TYR 31 Ca 0.06 -2.97 0.14 0.00 -0.00 0.00 0.00 57.90 55.13 1ha8 n TYR 31 Cb 0.37 -0.16 0.63 0.00 -0.00 0.00 0.00 39.34 40.18 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 -0.42 0.14 0.00 -3.48 -0.04 -1.26 -1.81 135.00 128.14 1ha8 n PRO 32 Ca 0.33 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ha8 n PRO 32 Cb 0.72 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.42 2.22 0.02 0.55 0.00 -1.26 -4.76 120.51 115.85 1ha8 n ALA 33 Ca 0.09 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1ha8 n ALA 33 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 0.64 2.00 0.00 0.00 -1.68 -3.11 103.07 100.92 1ha8 h GLY 34 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1ha8 h GLY 34 CO 0.00 0.79 0.00 0.00 0.00 0.00 0.00 176.54 177.33 1ha8 n SER 36 N -2.18 0.73 -4.55 0.00 3.41 -1.20 -4.77 113.62 105.06 1ha8 n SER 36 Ca -0.01 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 57.87 1ha8 n SER 36 Cb 0.06 1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 65.55 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 -3.70 6.34 0.57 4.04 -0.87 -0.46 -4.90 114.94 115.96 1ha8 s ASN 37 Ca -0.02 -1.00 0.31 0.00 -1.57 0.00 0.00 52.86 50.58 1ha8 s ASN 37 Cb 0.13 -2.56 1.44 0.00 -0.02 0.00 0.00 41.25 40.23 1ha8 s ASN 37 CO 0.78 -1.65 1.80 0.28 -2.57 0.00 0.00 177.10 175.74 1ha8 h SER 38 N 9.88 0.00 -0.80 -1.22 0.02 -1.86 0.32 113.55 119.89 1ha8 h SER 38 Ca -0.03 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1ha8 h SER 38 Cb 1.03 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 1ha8 h SER 38 CO 1.35 0.00 0.52 -0.78 -1.14 0.00 0.00 176.83 176.79 1ha8 h ASP 39 N 0.00 0.65 0.21 3.07 3.58 -1.90 -2.81 116.42 119.23 1ha8 h ASP 39 Ca 0.38 0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.51 1ha8 h ASP 39 Cb 1.79 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 42.67 1ha8 h ASP 39 CO -0.00 0.38 -2.07 0.00 -2.88 0.00 0.00 179.24 174.67 1ha8 h THR 41 N 0.01 1.04 -0.37 0.00 2.02 -0.85 0.29 112.91 115.06 1ha8 h THR 41 Ca -0.43 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 1ha8 h THR 41 Cb 2.07 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1ha8 h THR 41 CO 0.04 0.17 -0.37 0.00 0.37 0.00 0.00 175.52 175.73 1ha8 h ALA 42 N 1.39 0.65 0.46 6.16 0.00 -1.85 0.12 119.26 126.19 1ha8 h ALA 42 Ca 0.36 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ha8 h ALA 42 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ha8 h ALA 42 CO -0.17 0.67 -0.30 0.35 0.00 0.00 0.00 179.25 179.81 1ha8 h PHE 43 N 0.71 -0.78 0.00 0.00 3.04 -1.80 -3.20 116.94 114.92 1ha8 h PHE 43 Ca 0.06 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1ha8 h PHE 43 Cb 0.95 0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.73 1ha8 h PHE 43 CO 0.06 -0.45 -0.12 -0.07 -2.02 0.00 0.00 178.31 175.70 1ha8 h LEU 44 N -0.73 0.00 -0.25 0.59 3.38 -0.47 0.19 115.31 118.02 1ha8 h LEU 44 Ca -0.05 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1ha8 h LEU 44 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1ha8 h LEU 44 CO 0.04 0.12 -0.06 -1.28 0.09 0.00 0.00 178.44 177.35 1ha8 h SER 45 N 0.00 -0.24 0.08 -0.43 0.87 -0.78 -0.23 113.55 112.82 1ha8 h SER 45 Ca -0.00 0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.39 1ha8 h SER 45 Cb 0.25 0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1ha8 h SER 45 CO 0.02 -0.08 -0.98 1.56 -0.53 0.00 0.00 176.83 176.81 1ha8 h GLN 46 N -0.00 0.53 0.00 2.24 7.50 -1.22 -3.10 115.11 121.06 1ha8 h GLN 46 Ca 0.12 -0.68 -0.12 0.00 0.50 0.00 0.00 58.65 58.47 1ha8 h GLN 46 Cb 0.19 0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.91 1ha8 h GLN 46 CO -0.26 1.28 -0.63 0.00 -1.50 0.00 0.00 178.83 177.72 1ha8 n TYR 48 N -3.22 0.00 0.00 0.00 4.01 -0.24 -5.04 117.16 112.67 1ha8 n TYR 48 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1ha8 n TYR 48 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 2.91 0.00 1.88 2.72 0.00 -0.38 -4.95 105.19 107.38 1ha8 n GLY 49 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.60 3.60 -0.02 0.00 -1.09 -4.79 105.19 103.50 1ha8 n GLY 50 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32