#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 0.00 0.03 1.61 0.28 -1.26 -4.48 120.64 116.82 1ha8 n GLU 2 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1ha8 n GLU 2 Cb 0.00 -0.94 -0.14 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.10 1.01 0.00 0.00 5.08 -1.86 -2.30 114.58 116.42 1ha8 h GLU 4 Ca -0.34 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1ha8 h GLU 4 Cb 1.93 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 1ha8 h GLU 4 CO 0.10 0.67 -0.14 0.37 -1.00 0.00 0.00 179.01 179.01 1ha8 h GLN 5 N 1.04 0.00 0.09 2.33 5.75 -1.77 -0.14 115.11 122.41 1ha8 h GLN 5 Ca 0.34 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.58 1ha8 h GLN 5 Cb 0.06 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.62 1ha8 h GLN 5 CO -0.11 0.14 -1.15 0.00 -2.65 0.00 0.00 178.83 175.06 1ha8 h PHE 7 N 0.14 0.37 -0.81 0.00 0.04 -0.85 -1.04 116.94 114.78 1ha8 h PHE 7 Ca -0.13 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.66 1ha8 h PHE 7 Cb 1.84 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 39.83 1ha8 h PHE 7 CO 0.07 0.41 0.53 0.77 -0.60 0.00 0.00 178.31 179.49 1ha8 h SER 8 N 0.35 0.82 -0.48 2.17 0.02 -1.08 -2.83 113.55 112.52 1ha8 h SER 8 Ca 0.08 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.71 1ha8 h SER 8 Cb 0.30 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 62.52 1ha8 h SER 8 CO 0.01 0.55 0.40 -0.67 -1.14 0.00 0.00 176.83 175.99 1ha8 n ASP 9 N -4.47 5.88 0.00 3.07 2.03 -0.50 -4.81 116.55 117.76 1ha8 n ASP 9 Ca 0.11 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1ha8 n ASP 9 Cb 0.16 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 0.21 0.33 3.72 0.27 0.00 -1.07 -4.96 105.19 103.70 1ha8 n GLY 10 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 2.85 0.00 -0.02 0.00 -0.60 -4.98 107.32 102.57 1ha8 s GLY 11 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1ha8 s GLY 11 CO 0.00 1.65 0.00 1.22 0.00 0.00 0.00 173.10 175.97 1ha8 n ASP 12 N 3.17 0.00 0.00 1.64 9.92 -1.26 -4.20 116.55 125.81 1ha8 n ASP 12 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1ha8 n ASP 12 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha8 h THR 14 N 0.00 0.56 -0.03 0.00 2.02 -2.00 -2.92 112.91 110.54 1ha8 h THR 14 Ca 0.00 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1ha8 h THR 14 Cb 0.32 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1ha8 h THR 14 CO 0.00 0.10 0.02 1.07 0.37 0.00 0.00 175.52 177.08 1ha8 n THR 15 N -5.17 1.48 -0.69 3.16 5.66 -1.26 -1.33 114.28 116.13 1ha8 n THR 15 Ca -0.10 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1ha8 n THR 15 Cb 0.28 -1.19 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 0.51 -6.68 0.00 3.57 -1.00 -1.75 116.94 111.60 1ha8 h PHE 17 Ca 0.00 -0.30 -0.54 0.00 3.53 0.00 0.00 57.97 60.67 1ha8 h PHE 17 Cb 0.00 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1ha8 h PHE 17 CO 0.00 1.13 -0.95 -1.71 -2.23 0.00 0.00 178.31 174.55 1ha8 n ASN 18 N -4.27 -2.36 -3.73 0.41 2.85 -0.93 -1.28 115.26 105.96 1ha8 n ASN 18 Ca -0.11 -1.15 -0.18 0.00 -0.11 0.00 0.00 54.58 53.03 1ha8 n ASN 18 Cb 0.66 -2.45 0.01 0.00 1.24 0.00 0.00 39.78 39.24 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 -2.65 -1.77 0.00 1.20 5.15 -1.26 -0.84 115.26 115.08 1ha8 n ASN 19 Ca -0.20 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1ha8 n ASN 19 Cb 0.63 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 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 -1.35 0.76 0.24 8.20 0.00 -0.64 -4.82 105.19 107.57 1ha8 n GLY 20 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.25 1.98 -3.64 2.61 -2.24 -0.02 -4.80 114.28 105.92 1ha8 n THR 21 Ca 0.00 -2.25 -0.21 0.00 -2.27 0.00 0.00 64.05 59.32 1ha8 n THR 21 Cb 0.02 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.27 2.58 0.22 3.38 0.00 -0.40 -4.87 105.19 104.83 1ha8 n GLY 22 Ca 0.17 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.47 -3.36 1.61 0.13 -1.79 -3.24 132.00 124.88 1ha8 h PRO 23 Ca -0.28 0.03 -0.72 0.00 -0.87 0.00 0.00 66.00 64.16 1ha8 h PRO 23 Cb 1.09 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1ha8 h PRO 23 CO 0.44 -0.16 2.78 0.00 -0.23 0.00 0.00 178.00 180.82 1ha8 n ALA 25 N 4.00 2.16 0.18 0.00 0.00 -1.22 -4.03 120.51 121.59 1ha8 n ALA 25 Ca 0.55 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1ha8 n ALA 25 Cb 0.32 0.31 0.34 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.46 0.00 0.00 0.00 2.35 -1.85 -2.46 115.58 113.17 1ha8 h ASN 26 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1ha8 h ASN 26 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1ha8 h ASN 26 CO -0.16 0.41 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 1ha8 n LEU 28 N -0.62 2.36 0.00 0.00 7.99 -0.92 -4.68 117.00 121.12 1ha8 n LEU 28 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1ha8 n LEU 28 Cb 0.01 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1ha8 n LEU 28 CO 0.01 0.45 0.00 0.00 -1.51 0.00 0.00 177.39 176.34 1ha8 n ALA 29 N -2.73 0.00 -1.37 -1.18 0.00 -1.23 -4.40 120.51 109.60 1ha8 n ALA 29 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1ha8 n ALA 29 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 2.93 3.37 2.61 0.00 0.00 -1.26 -4.74 105.19 108.10 1ha8 n GLY 30 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 6.71 3.30 0.16 1.61 4.11 -1.26 -4.79 117.16 127.00 1ha8 n TYR 31 Ca 0.51 -2.90 0.05 0.00 -0.00 0.00 0.00 57.90 55.56 1ha8 n TYR 31 Cb 0.38 -0.40 0.12 0.00 -0.00 0.00 0.00 39.34 39.44 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 2.71 0.00 -0.12 -3.48 0.13 -1.94 -2.52 132.00 126.78 1ha8 h PRO 32 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 1ha8 h PRO 32 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1ha8 h PRO 32 CO 1.02 0.40 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 1ha8 n ALA 33 N -2.21 2.45 0.16 -0.56 0.00 -1.26 -4.73 120.51 114.35 1ha8 n ALA 33 Ca 0.02 -0.76 0.14 0.00 0.00 0.00 0.00 53.44 52.84 1ha8 n ALA 33 Cb 0.66 -0.76 0.69 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 4.30 0.00 2.00 0.00 0.00 -1.79 -1.08 103.07 106.50 1ha8 h GLY 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ha8 h GLY 34 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.46 1ha8 n SER 36 N -3.32 0.60 -4.58 0.00 3.41 -0.41 -4.64 113.62 104.68 1ha8 n SER 36 Ca -0.01 0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 1ha8 n SER 36 Cb 0.26 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1ha8 n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ha8 s ASN 37 N -3.81 6.60 0.62 4.04 2.47 -0.65 -4.88 114.94 119.33 1ha8 s ASN 37 Ca 0.08 -2.25 0.27 0.00 0.42 0.00 0.00 52.86 51.38 1ha8 s ASN 37 Cb 0.15 -2.58 1.38 0.00 -1.45 0.00 0.00 41.25 38.75 1ha8 s ASN 37 CO 0.70 -1.42 1.79 0.28 -3.72 0.00 0.00 177.10 174.73 1ha8 h SER 38 N 8.06 0.00 -0.73 -4.21 0.02 -1.82 0.55 113.55 115.42 1ha8 h SER 38 Ca 0.40 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1ha8 h SER 38 Cb 0.89 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1ha8 h SER 38 CO 1.43 0.00 0.26 -0.78 -1.14 0.00 0.00 176.83 176.59 1ha8 h ASP 39 N 0.00 1.05 0.00 3.07 1.82 -1.93 -3.31 116.42 117.12 1ha8 h ASP 39 Ca 0.16 -0.18 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 1ha8 h ASP 39 Cb 1.24 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.96 1ha8 h ASP 39 CO -0.00 0.96 -2.04 0.00 -1.61 0.00 0.00 179.24 176.55 1ha8 h THR 41 N 0.00 0.69 -0.42 0.00 2.02 -0.78 0.11 112.91 114.54 1ha8 h THR 41 Ca -0.15 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 1ha8 h THR 41 Cb 1.30 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1ha8 h THR 41 CO 0.01 0.04 -0.33 0.00 0.37 0.00 0.00 175.52 175.61 1ha8 h ALA 42 N 1.42 0.62 0.41 6.16 0.00 -1.84 0.78 119.26 126.80 1ha8 h ALA 42 Ca 0.27 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ha8 h ALA 42 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ha8 h ALA 42 CO -0.35 0.68 -0.51 0.35 0.00 0.00 0.00 179.25 179.41 1ha8 h PHE 43 N 0.80 -1.45 -0.26 0.00 3.04 -1.74 -2.93 116.94 114.41 1ha8 h PHE 43 Ca 0.08 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 1ha8 h PHE 43 Cb 0.92 0.58 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 1ha8 h PHE 43 CO 0.06 -0.66 -0.01 -0.07 -2.02 0.00 0.00 178.31 175.62 1ha8 h LEU 44 N -0.95 0.35 -0.75 0.59 3.38 -0.66 0.88 115.31 118.15 1ha8 h LEU 44 Ca -0.05 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1ha8 h LEU 44 Cb 0.85 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1ha8 h LEU 44 CO -0.12 0.42 0.34 -1.28 0.09 0.00 0.00 178.44 177.89 1ha8 h SER 45 N 0.37 0.38 0.00 -0.43 0.87 -0.82 0.51 113.55 114.43 1ha8 h SER 45 Ca 0.08 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1ha8 h SER 45 Cb 0.26 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1ha8 h SER 45 CO 0.01 0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 1ha8 n GLN 46 N -4.93 0.00 0.30 2.24 6.02 -0.43 -2.18 117.38 118.40 1ha8 n GLN 46 Ca 0.13 0.34 0.18 0.00 -0.01 0.00 0.00 57.00 57.64 1ha8 n GLN 46 Cb 0.37 -1.07 0.93 0.00 1.02 0.00 0.00 30.24 31.48 1ha8 n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ha8 n TYR 48 N -3.29 0.00 -0.00 0.00 4.01 0.10 -5.01 117.16 112.96 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 2.39 0.15 1.91 2.72 0.00 -0.80 -4.69 105.19 106.88 1ha8 n GLY 49 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.65 2.61 -0.02 0.00 -0.77 -4.72 105.19 99.63 1ha8 n GLY 50 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32