#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 0.47 -0.06 1.61 4.11 -1.93 0.16 114.58 118.94 1ha8 h GLU 2 Ca 0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 1ha8 h GLU 2 Cb 0.00 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1ha8 h GLU 2 CO 0.00 0.31 -0.37 0.00 0.07 0.00 0.00 179.01 179.02 1ha8 h GLU 4 N -0.15 0.00 0.42 0.00 5.08 -1.41 -2.05 114.58 116.47 1ha8 h GLU 4 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ha8 h GLU 4 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ha8 h GLU 4 CO 0.08 0.17 -0.20 0.37 -1.00 0.00 0.00 179.01 178.42 1ha8 h GLN 5 N 0.00 -0.55 -0.61 2.33 -0.00 -0.62 -0.38 115.11 115.28 1ha8 h GLN 5 Ca -0.00 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.76 1ha8 h GLN 5 Cb 0.33 0.12 -0.06 0.00 0.00 0.00 0.00 27.48 27.87 1ha8 h GLN 5 CO 0.02 -0.31 0.28 0.00 0.00 0.00 0.00 178.83 178.82 1ha8 h PHE 7 N 0.50 0.17 0.00 0.00 -1.00 -1.33 0.22 116.94 115.50 1ha8 h PHE 7 Ca 0.30 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1ha8 h PHE 7 Cb 0.30 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1ha8 h PHE 7 CO -0.13 0.04 0.00 0.43 -1.61 0.00 0.00 178.31 177.05 1ha8 n SER 8 N -5.06 0.43 -2.13 2.17 7.64 -0.13 -1.07 113.62 115.47 1ha8 n SER 8 Ca 0.02 0.64 -0.28 0.00 1.01 0.00 0.00 58.87 60.27 1ha8 n SER 8 Cb 0.16 -0.72 0.10 0.00 -1.01 0.00 0.00 64.21 62.74 1ha8 n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ha8 n ASP 9 N -2.02 5.93 -0.02 6.43 8.00 -0.41 -4.89 116.55 129.57 1ha8 n ASP 9 Ca 0.01 -3.75 -0.00 0.00 0.71 0.00 0.00 54.79 51.76 1ha8 n ASP 9 Cb 0.13 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ha8 n GLY 10 N -0.95 0.46 3.69 0.44 0.00 -0.23 -5.01 105.19 103.60 1ha8 n GLY 10 Ca 0.56 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.65 0.50 0.91 -0.02 0.00 -0.03 -4.95 105.19 98.95 1ha8 n GLY 11 Ca -0.00 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 0.71 0.66 0.00 1.61 5.68 -1.26 -4.55 116.55 119.39 1ha8 n ASP 12 Ca 0.05 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1ha8 n ASP 12 Cb 0.36 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.19 -0.02 0.00 2.02 -1.98 -0.57 112.91 113.55 1ha8 h THR 14 Ca 0.00 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1ha8 h THR 14 Cb 0.00 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ha8 h THR 14 CO 0.00 0.18 0.01 1.07 0.37 0.00 0.00 175.52 177.15 1ha8 n THR 15 N -4.82 1.79 0.00 3.16 5.66 -1.26 -3.46 114.28 115.35 1ha8 n THR 15 Ca -0.05 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1ha8 n THR 15 Cb 0.15 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 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 1.02 -4.81 0.00 3.57 -1.13 -3.33 116.94 112.26 1ha8 h PHE 17 Ca 0.00 0.02 -0.36 0.00 3.53 0.00 0.00 57.97 61.17 1ha8 h PHE 17 Cb 0.00 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.37 1ha8 h PHE 17 CO 0.00 0.60 -0.52 -1.71 -2.23 0.00 0.00 178.31 174.45 1ha8 n ASN 18 N -4.44 -4.41 -0.96 0.41 2.85 -1.26 -1.39 115.26 106.05 1ha8 n ASN 18 Ca 0.11 -0.23 -0.12 0.00 -0.11 0.00 0.00 54.58 54.23 1ha8 n ASN 18 Cb 0.10 -3.64 -0.05 0.00 1.24 0.00 0.00 39.78 37.43 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 -2.24 -5.06 0.00 1.20 2.85 -1.26 -3.14 115.26 107.60 1ha8 n ASN 19 Ca -0.07 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1ha8 n ASN 19 Cb 0.58 -3.92 0.00 0.00 1.24 0.00 0.00 39.78 37.68 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 0.12 1.86 0.00 8.20 0.00 -0.49 -5.00 105.19 109.89 1ha8 n GLY 20 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.32 0.06 -1.90 2.61 5.66 -1.19 -4.94 114.28 114.27 1ha8 n THR 21 Ca 0.00 -0.29 -0.20 0.00 -3.05 0.00 0.00 64.05 60.51 1ha8 n THR 21 Cb 0.00 1.39 0.13 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.03 -0.80 0.10 1.09 0.00 -0.99 -4.98 105.19 99.59 1ha8 n GLY 22 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 0.21 0.00 1.61 0.13 -1.87 -2.86 132.00 129.22 1ha8 h PRO 23 Ca -0.28 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ha8 h PRO 23 Cb 0.85 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ha8 h PRO 23 CO 0.23 0.56 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 1ha8 h ALA 25 N 3.77 1.50 0.00 0.00 0.00 -1.80 0.48 119.26 123.21 1ha8 h ALA 25 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ha8 h ALA 25 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ha8 h ALA 25 CO 0.00 0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.66 1ha8 n ASN 26 N -4.53 0.70 0.00 0.00 3.02 -1.26 -1.92 115.26 111.27 1ha8 n ASN 26 Ca 0.16 0.64 0.03 0.00 -0.03 0.00 0.00 54.58 55.38 1ha8 n ASN 26 Cb 0.25 -0.80 0.16 0.00 -0.61 0.00 0.00 39.78 38.77 1ha8 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ha8 n LEU 28 N -0.65 0.18 -0.19 0.00 7.99 -0.81 -4.64 117.00 118.89 1ha8 n LEU 28 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1ha8 n LEU 28 Cb 0.02 -0.22 0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1ha8 n LEU 28 CO 0.03 -0.51 0.91 0.00 -1.51 0.00 0.00 177.39 176.31 1ha8 h ALA 29 N -0.69 0.69 -2.74 -1.18 0.00 -1.72 -3.26 119.26 110.36 1ha8 h ALA 29 Ca 0.00 0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.48 1ha8 h ALA 29 Cb 0.05 0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1ha8 h ALA 29 CO 0.00 -0.31 -0.80 0.20 0.00 0.00 0.00 179.25 178.33 1ha8 s GLY 30 N -3.24 0.74 -0.44 0.00 0.00 -1.26 -5.07 107.32 98.06 1ha8 s GLY 30 Ca -0.13 -1.53 0.06 0.00 0.00 0.00 0.00 44.72 43.12 1ha8 s GLY 30 CO 0.74 2.02 1.09 1.58 0.00 0.00 0.00 173.10 178.53 1ha8 n TYR 31 N 4.63 3.32 1.35 1.90 4.11 -1.23 -4.83 117.16 126.41 1ha8 n TYR 31 Ca 0.03 -3.15 0.07 0.00 -0.00 0.00 0.00 57.90 54.85 1ha8 n TYR 31 Cb 0.40 -0.12 0.25 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 -0.44 1.52 0.00 -3.48 -0.04 -1.26 -1.82 135.00 129.47 1ha8 n PRO 32 Ca 0.37 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1ha8 n PRO 32 Cb 0.66 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.09 1.78 0.23 0.55 0.00 -1.26 -4.86 120.51 117.04 1ha8 n ALA 33 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1ha8 n ALA 33 Cb 0.22 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.23 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 1.45 0.00 0.00 -1.69 -0.15 103.07 102.68 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 0.26 0.00 0.00 0.00 0.00 176.54 176.80 1ha8 n SER 36 N -2.81 3.08 -4.55 0.00 3.41 -0.12 -4.76 113.62 107.87 1ha8 n SER 36 Ca -0.02 -0.17 -0.40 0.00 -0.26 0.00 0.00 58.87 58.02 1ha8 n SER 36 Cb 0.31 0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 65.18 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 -1.57 6.07 0.57 4.04 -0.87 -0.91 -4.87 114.94 117.40 1ha8 s ASN 37 Ca 0.00 -0.67 0.27 0.00 -1.57 0.00 0.00 52.86 50.89 1ha8 s ASN 37 Cb 0.00 -2.56 1.56 0.00 -0.02 0.00 0.00 41.25 40.23 1ha8 s ASN 37 CO 0.00 -1.88 2.07 0.77 -2.57 0.00 0.00 177.10 175.49 1ha8 h SER 38 N 10.68 0.00 -0.95 -1.22 4.64 -1.90 0.31 113.55 125.11 1ha8 h SER 38 Ca -0.10 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.40 1ha8 h SER 38 Cb 1.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 1ha8 h SER 38 CO 1.31 0.00 0.60 -0.78 -0.87 0.00 0.00 176.83 177.10 1ha8 h ASP 39 N 0.00 0.63 0.00 4.97 3.58 -1.92 -3.07 116.42 120.62 1ha8 h ASP 39 Ca 0.12 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.34 1ha8 h ASP 39 Cb 0.58 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 1ha8 h ASP 39 CO -0.00 0.26 -2.09 0.00 -2.88 0.00 0.00 179.24 174.53 1ha8 h THR 41 N 0.00 0.00 0.00 0.00 2.02 -0.77 -0.47 112.91 113.69 1ha8 h THR 41 Ca -0.43 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1ha8 h THR 41 Cb 1.96 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1ha8 h THR 41 CO 0.02 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.72 1ha8 h ALA 42 N -0.44 1.52 0.63 6.16 0.00 -1.86 0.27 119.26 125.55 1ha8 h ALA 42 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ha8 h ALA 42 Cb 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ha8 h ALA 42 CO -0.40 0.23 -0.30 0.35 0.00 0.00 0.00 179.25 179.13 1ha8 h PHE 43 N 0.00 -0.79 -0.32 0.00 3.04 -1.71 -3.27 116.94 113.89 1ha8 h PHE 43 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1ha8 h PHE 43 Cb 0.37 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1ha8 h PHE 43 CO 0.00 -0.45 0.16 -0.07 -2.02 0.00 0.00 178.31 175.92 1ha8 h LEU 44 N -0.97 0.39 -1.70 0.59 3.38 0.66 0.11 115.31 117.77 1ha8 h LEU 44 Ca -0.09 -0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.08 1ha8 h LEU 44 Cb 0.69 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1ha8 h LEU 44 CO 0.14 0.34 0.61 0.28 0.09 0.00 0.00 178.44 179.91 1ha8 h SER 45 N 0.45 0.24 0.00 -0.43 0.02 -0.62 0.74 113.55 113.96 1ha8 h SER 45 Ca 0.12 0.03 -0.33 0.00 -0.84 0.00 0.00 61.79 60.76 1ha8 h SER 45 Cb 0.05 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 1ha8 h SER 45 CO -0.02 0.09 -2.26 0.00 -1.14 0.00 0.00 176.83 173.50 1ha8 n GLN 46 N -4.42 0.68 0.10 3.45 3.00 -0.78 -3.12 117.38 116.29 1ha8 n GLN 46 Ca 0.19 0.10 0.03 0.00 -0.01 0.00 0.00 57.00 57.31 1ha8 n GLN 46 Cb 0.81 -1.45 0.41 0.00 0.00 0.00 0.00 30.24 30.01 1ha8 n GLN 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ha8 n TYR 48 N -4.34 -0.44 0.00 0.00 4.01 0.10 -5.04 117.16 111.45 1ha8 n TYR 48 Ca -0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1ha8 n TYR 48 Cb 0.21 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 2.92 0.28 1.20 2.72 0.00 -0.27 -5.00 105.19 107.04 1ha8 n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.31 0.00 -0.02 0.00 -1.18 -4.72 105.19 96.96 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