#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 0.61 0.14 1.61 4.11 -1.93 -0.00 114.58 119.12 1ha8 h GLU 2 Ca 0.00 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 59.09 1ha8 h GLU 2 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ha8 h GLU 2 CO 0.00 0.40 -1.43 0.00 0.07 0.00 0.00 179.01 178.06 1ha8 h GLU 4 N 0.08 1.23 -0.22 0.00 5.08 -1.57 -1.76 114.58 117.42 1ha8 h GLU 4 Ca -0.21 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ha8 h GLU 4 Cb 2.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1ha8 h GLU 4 CO 0.19 0.94 0.13 0.37 -1.00 0.00 0.00 179.01 179.64 1ha8 h GLN 5 N 1.22 0.30 -0.49 2.33 -0.00 -0.99 -0.46 115.11 117.02 1ha8 h GLN 5 Ca 0.29 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.96 1ha8 h GLN 5 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.48 1ha8 h GLN 5 CO -0.04 0.26 0.23 0.00 0.00 0.00 0.00 178.83 179.28 1ha8 h PHE 7 N 0.44 0.50 0.00 0.00 -1.00 -1.13 -1.41 116.94 114.33 1ha8 h PHE 7 Ca 0.22 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1ha8 h PHE 7 Cb 0.16 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1ha8 h PHE 7 CO -0.12 0.23 0.00 0.43 -1.61 0.00 0.00 178.31 177.25 1ha8 n SER 8 N -4.88 0.00 -2.00 2.17 7.64 -0.20 -1.13 113.62 115.22 1ha8 n SER 8 Ca 0.05 0.32 -0.25 0.00 1.01 0.00 0.00 58.87 60.01 1ha8 n SER 8 Cb 0.15 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.37 5.43 -3.40 6.43 2.03 -0.63 -4.90 116.55 120.13 1ha8 n ASP 9 Ca 0.03 -3.76 -0.19 0.00 0.52 0.00 0.00 54.79 51.39 1ha8 n ASP 9 Cb 0.06 -0.71 0.08 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.92 -0.39 3.77 0.27 0.00 -0.29 -5.01 105.19 102.62 1ha8 n GLY 10 Ca 0.51 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.96 2.41 0.00 -0.02 0.00 -0.61 -4.96 107.32 100.18 1ha8 s GLY 11 Ca 0.20 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1ha8 s GLY 11 CO 0.71 1.04 0.00 2.09 0.00 0.00 0.00 173.10 176.94 1ha8 n ASP 12 N -1.80 0.00 0.07 1.64 5.68 -1.26 -4.76 116.55 116.12 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 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 -0.98 0.00 2.02 -2.00 -0.41 112.91 111.54 1ha8 h THR 14 Ca 0.00 -0.60 -0.59 0.00 0.77 0.00 0.00 66.41 65.98 1ha8 h THR 14 Cb 0.04 1.56 -0.30 0.00 -1.74 0.00 0.00 68.15 67.71 1ha8 h THR 14 CO 0.00 0.00 0.73 1.07 0.37 0.00 0.00 175.52 177.69 1ha8 n THR 15 N -2.74 3.40 -1.91 3.16 5.66 -1.26 -4.28 114.28 116.32 1ha8 n THR 15 Ca 0.03 -2.48 -0.01 0.00 -3.05 0.00 0.00 64.05 58.54 1ha8 n THR 15 Cb 0.39 -0.83 -0.01 0.00 -1.55 0.00 0.00 70.33 68.34 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 -1.78 0.00 7.35 -0.46 -3.81 117.46 118.75 1ha8 n PHE 17 Ca -0.03 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.53 1ha8 n PHE 17 Cb 0.48 -0.14 -0.04 0.00 0.35 0.00 0.00 39.48 40.13 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 -2.21 -3.69 -2.20 -2.13 5.15 -1.26 -0.79 115.26 108.12 1ha8 n ASN 18 Ca -0.05 0.27 -0.18 0.00 -0.60 0.00 0.00 54.58 54.02 1ha8 n ASN 18 Cb 0.59 -3.32 -0.03 0.00 -0.53 0.00 0.00 39.78 36.49 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 -1.00 -5.16 0.00 1.20 5.15 -1.26 -4.02 115.26 110.17 1ha8 n ASN 19 Ca -0.14 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1ha8 n ASN 19 Cb 0.50 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.37 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 -0.80 1.98 0.00 8.20 0.00 0.02 -5.03 105.19 109.57 1ha8 n GLY 20 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.03 0.00 -0.08 2.61 5.66 -0.95 -4.92 114.28 116.57 1ha8 n THR 21 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ha8 n THR 21 Cb 0.00 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 0.00 -1.49 0.19 1.09 0.00 -0.82 -4.95 105.19 99.20 1ha8 n GLY 22 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.66 1.61 0.13 -1.87 -3.33 132.00 123.51 1ha8 h PRO 23 Ca 0.00 0.02 -0.74 0.00 -0.87 0.00 0.00 66.00 64.42 1ha8 h PRO 23 Cb 0.00 0.08 -0.17 0.00 0.13 0.00 0.00 31.00 31.05 1ha8 h PRO 23 CO 0.00 -0.05 1.51 0.00 -0.23 0.00 0.00 178.00 179.22 1ha8 n ALA 25 N 5.59 2.74 0.28 0.00 0.00 -1.25 -4.61 120.51 123.26 1ha8 n ALA 25 Ca 0.38 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.99 1ha8 n ALA 25 Cb 0.42 0.47 0.73 0.00 0.00 0.00 0.00 19.45 21.07 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 0.10 0.00 4.21 -1.87 -2.55 115.58 115.47 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 0.93 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1ha8 h ASN 26 CO 0.00 0.03 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 1ha8 n LEU 28 N -1.16 1.76 0.00 0.00 7.99 -0.96 -4.59 117.00 120.04 1ha8 n LEU 28 Ca 0.05 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1ha8 n LEU 28 Cb 0.05 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1ha8 n LEU 28 CO 0.06 -0.26 0.34 0.00 -1.51 0.00 0.00 177.39 176.02 1ha8 n ALA 29 N -4.25 -0.28 -3.16 -1.18 0.00 -1.25 -3.88 120.51 106.52 1ha8 n ALA 29 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1ha8 n ALA 29 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.27 4.76 2.65 0.00 0.00 -1.26 -4.91 105.19 106.16 1ha8 n GLY 30 Ca 0.00 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.06 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 1.90 3.23 1.29 1.61 4.11 -1.25 -4.81 117.16 123.24 1ha8 n TYR 31 Ca 0.25 -2.79 0.14 0.00 -0.00 0.00 0.00 57.90 55.51 1ha8 n TYR 31 Cb 0.36 -0.54 0.71 0.00 -0.00 0.00 0.00 39.34 39.87 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 -0.51 0.31 0.00 -3.48 -0.04 -1.26 -1.77 135.00 128.25 1ha8 n PRO 32 Ca 0.45 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1ha8 n PRO 32 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.34 2.33 0.25 0.55 0.00 -1.26 -4.84 120.51 116.20 1ha8 n ALA 33 Ca 0.12 -0.53 0.10 0.00 0.00 0.00 0.00 53.44 53.13 1ha8 n ALA 33 Cb 0.26 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.38 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 2.00 0.00 0.00 -1.69 0.06 103.07 103.45 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 -2.65 0.86 -4.56 0.00 7.64 -0.01 -4.79 113.62 110.11 1ha8 n SER 36 Ca -0.02 -0.65 -0.39 0.00 1.01 0.00 0.00 58.87 58.81 1ha8 n SER 36 Cb 0.06 1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 64.35 1ha8 n SER 36 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ha8 s ASN 37 N -2.47 6.34 0.46 6.43 2.47 -0.42 -4.89 114.94 122.87 1ha8 s ASN 37 Ca 0.03 -1.39 0.18 0.00 0.42 0.00 0.00 52.86 52.10 1ha8 s ASN 37 Cb 0.10 -2.57 1.15 0.00 -1.45 0.00 0.00 41.25 38.48 1ha8 s ASN 37 CO 0.53 -1.66 1.96 0.28 -3.72 0.00 0.00 177.10 174.50 1ha8 h SER 38 N 9.90 0.26 0.33 -4.21 0.02 -1.87 0.31 113.55 118.28 1ha8 h SER 38 Ca 0.20 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1ha8 h SER 38 Cb 1.00 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1ha8 h SER 38 CO 1.40 0.14 -0.07 -0.78 -1.14 0.00 0.00 176.83 176.38 1ha8 h ASP 39 N 0.28 0.00 -0.00 3.07 3.58 -1.92 -2.31 116.42 119.13 1ha8 h ASP 39 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1ha8 h ASP 39 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1ha8 h ASP 39 CO -0.07 0.07 -0.60 0.00 -2.88 0.00 0.00 179.24 175.77 1ha8 h THR 41 N 0.63 1.34 -0.65 0.00 2.02 -0.10 -0.98 112.91 115.17 1ha8 h THR 41 Ca 0.00 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 1ha8 h THR 41 Cb 0.43 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1ha8 h THR 41 CO 0.00 0.35 0.23 0.00 0.37 0.00 0.00 175.52 176.47 1ha8 h ALA 42 N 0.61 1.19 0.32 6.16 0.00 -1.85 0.33 119.26 126.03 1ha8 h ALA 42 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ha8 h ALA 42 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ha8 h ALA 42 CO 0.02 0.58 -0.20 0.35 0.00 0.00 0.00 179.25 180.00 1ha8 h PHE 43 N 0.94 -0.54 0.00 0.00 3.04 -1.85 -3.25 116.94 115.28 1ha8 h PHE 43 Ca 0.22 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 1ha8 h PHE 43 Cb 0.22 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1ha8 h PHE 43 CO 0.02 -0.30 -0.12 -0.07 -2.02 0.00 0.00 178.31 175.82 1ha8 h LEU 44 N -0.49 0.00 -1.08 0.59 3.38 -0.73 0.11 115.31 117.09 1ha8 h LEU 44 Ca -0.04 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.16 1ha8 h LEU 44 Cb 0.39 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1ha8 h LEU 44 CO 0.04 0.12 0.61 -1.28 0.09 0.00 0.00 178.44 178.02 1ha8 h SER 45 N 0.00 0.66 0.03 -0.43 0.87 -1.01 0.13 113.55 113.80 1ha8 h SER 45 Ca -0.00 0.11 -0.28 0.00 -1.23 0.00 0.00 61.79 60.39 1ha8 h SER 45 Cb 0.23 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1ha8 h SER 45 CO 0.02 0.15 -1.53 0.00 -0.53 0.00 0.00 176.83 174.93 1ha8 n GLN 46 N -4.80 0.62 0.16 2.24 6.02 0.18 -2.64 117.38 119.17 1ha8 n GLN 46 Ca 0.26 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.85 1ha8 n GLN 46 Cb 0.72 -1.72 0.45 0.00 1.02 0.00 0.00 30.24 30.71 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 -2.52 0.00 0.00 0.00 4.01 -0.11 -5.03 117.16 113.51 1ha8 n TYR 48 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1ha8 n TYR 48 Cb 0.36 0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 2.07 0.93 2.17 2.72 0.00 -0.35 -4.97 105.19 107.75 1ha8 n GLY 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.44 3.67 -0.02 0.00 -0.59 -4.65 105.19 103.16 1ha8 n GLY 50 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32