#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sju s VAL 2 N 0.00 0.18 -0.29 1.97 0.11 -1.26 -5.05 120.40 116.05 1sju s VAL 2 Ca 0.00 -1.46 0.08 0.00 -2.93 0.00 0.00 61.98 57.67 1sju s VAL 2 Cb 0.00 -1.05 0.46 0.00 -1.53 0.00 0.00 36.38 34.26 1sju s VAL 2 CO 0.00 -0.81 1.33 -0.46 -3.33 0.00 0.00 175.10 171.83 1sju n ASN 3 N 0.66 3.44 -0.08 3.54 0.23 -1.26 -4.84 115.26 116.95 1sju n ASN 3 Ca -0.18 -3.82 0.00 0.00 -0.53 0.00 0.00 54.58 50.06 1sju n ASN 3 Cb 0.59 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1sju n ASN 3 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sju n GLN 4 N -0.97 2.04 -2.70 -3.83 6.02 -1.26 -4.87 117.38 111.81 1sju n GLN 4 Ca 0.35 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.05 1sju n GLN 4 Cb 0.88 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.12 1sju n GLN 4 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1sju s HIS 5 N -0.03 3.52 0.00 1.08 0.00 -1.26 -4.25 115.29 114.35 1sju s HIS 5 Ca 0.00 0.96 0.00 0.00 -3.00 0.00 0.00 55.06 53.02 1sju s HIS 5 Cb 0.00 -2.40 0.00 0.00 -4.00 0.00 0.00 32.58 26.18 1sju s HIS 5 CO 0.00 -0.21 0.00 1.28 -1.00 0.00 0.00 174.74 174.81 1sju n LEU 6 N -1.79 0.16 -1.61 5.38 4.77 -0.41 -4.98 117.00 118.52 1sju n LEU 6 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1sju n LEU 6 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1sju n LEU 6 CO 0.51 0.03 -0.50 0.00 -1.33 0.00 0.00 177.39 176.10 1sju n GLY 8 N -2.63 0.00 0.03 0.00 0.00 -1.26 0.26 105.19 101.59 1sju n GLY 8 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sju n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sju n SER 9 N -0.13 -0.06 0.03 1.61 3.41 -1.26 0.27 113.62 117.50 1sju n SER 9 Ca 0.00 0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 1sju n SER 9 Cb 0.00 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 1sju n SER 9 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sju h ASP 10 N 0.00 0.46 -0.44 4.04 3.32 0.06 -0.72 116.42 123.14 1sju h ASP 10 Ca 0.02 -0.89 0.09 0.00 0.02 0.00 0.00 57.03 56.27 1sju h ASP 10 Cb 0.03 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.34 1sju h ASP 10 CO -0.06 1.61 -0.26 -0.07 -1.72 0.00 0.00 179.24 178.74 1sju h LEU 11 N -0.23 -0.87 -0.18 1.55 -0.00 1.92 1.77 115.31 119.26 1sju h LEU 11 Ca -0.28 0.18 -0.08 0.00 -0.00 0.00 0.00 57.88 57.70 1sju h LEU 11 Cb 1.82 0.44 -0.00 0.00 -0.00 0.00 0.00 40.66 42.92 1sju h LEU 11 CO 0.11 -0.27 -0.19 0.58 -0.00 0.00 0.00 178.44 178.66 1sju h VAL 12 N -0.17 1.34 -0.90 1.22 2.07 0.38 0.16 116.25 120.35 1sju h VAL 12 Ca 0.20 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1sju h VAL 12 Cb 0.49 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1sju h VAL 12 CO -0.54 0.41 0.59 -0.33 0.02 0.00 0.00 177.57 177.72 1sju h GLU 13 N 0.11 1.07 0.26 1.57 5.08 0.14 -0.25 114.58 122.55 1sju h GLU 13 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1sju h GLU 13 Cb 0.73 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1sju h GLU 13 CO 0.05 0.71 -0.12 0.00 -1.00 0.00 0.00 179.01 178.64 1sju h ALA 14 N 1.48 -0.35 -1.90 3.43 0.00 0.27 -1.20 119.26 121.00 1sju h ALA 14 Ca 0.37 -0.11 0.56 0.00 0.00 0.00 0.00 54.91 55.72 1sju h ALA 14 Cb 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1sju h ALA 14 CO -0.12 -0.34 1.35 1.28 0.00 0.00 0.00 179.25 181.43 1sju n LEU 15 N -5.01 0.02 0.10 0.00 4.77 0.56 0.36 117.00 117.81 1sju n LEU 15 Ca -0.05 1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.85 1sju n LEU 15 Cb 0.17 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 1sju n LEU 15 CO 0.14 -1.04 0.38 0.22 -1.33 0.00 0.00 177.39 175.76 1sju h TYR 16 N 0.00 -0.30 0.00 -1.77 3.20 -0.82 -2.11 116.97 115.17 1sju h TYR 16 Ca 0.93 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.79 1sju h TYR 16 Cb 3.65 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 42.01 1sju h TYR 16 CO -0.00 0.07 -0.02 1.25 -1.64 0.00 0.00 178.16 177.82 1sju h LEU 17 N -0.91 0.00 -0.40 2.82 5.85 0.49 0.68 115.31 123.84 1sju h LEU 17 Ca -0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1sju h LEU 17 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1sju h LEU 17 CO 0.05 0.02 -0.21 0.58 -0.34 0.00 0.00 178.44 178.54 1sju h VAL 18 N 0.00 1.28 0.00 1.05 2.07 0.65 -3.41 116.25 117.89 1sju h VAL 18 Ca -0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1sju h VAL 18 Cb 0.55 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1sju h VAL 18 CO 0.00 0.45 -0.15 0.00 0.02 0.00 0.00 177.57 177.90 1sju n GLY 20 N 2.89 -0.72 0.20 0.00 0.00 0.24 -4.97 105.19 102.82 1sju n GLY 20 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sju n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sju n GLU 21 N -1.40 0.00 -1.00 1.61 1.02 -1.26 -4.95 120.64 114.66 1sju n GLU 21 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1sju n GLU 21 Cb 0.50 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.11 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sju n ARG 22 N -1.07 2.04 -2.11 3.49 1.74 -1.26 -4.88 116.66 114.60 1sju n ARG 22 Ca 0.00 -3.11 -0.14 0.00 -0.77 0.00 0.00 57.85 53.83 1sju n ARG 22 Cb 0.00 -1.98 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sju n GLY 23 N -1.12 0.09 7.00 -0.13 0.00 -1.26 -4.79 105.19 104.97 1sju n GLY 23 Ca 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1sju n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sju n PHE 24 N -3.76 -0.89 -3.89 1.61 -1.74 -1.26 -4.52 117.46 103.00 1sju n PHE 24 Ca -0.16 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.38 1sju n PHE 24 Cb 0.60 0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.52 1sju n PHE 24 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 1sju s PHE 25 N 0.00 3.28 -0.51 2.97 5.36 -1.08 -4.84 117.98 123.16 1sju s PHE 25 Ca 0.00 0.11 0.07 0.00 -0.96 0.00 0.00 56.93 56.15 1sju s PHE 25 Cb 0.00 -2.13 0.19 0.00 -0.34 0.00 0.00 43.02 40.74 1sju s PHE 25 CO 0.00 0.14 0.72 0.98 -1.46 0.00 0.00 175.22 175.60 1sju n TYR 26 N 3.71 -3.70 0.01 10.12 9.36 -1.26 -4.85 117.16 130.55 1sju n TYR 26 Ca -0.16 -1.46 0.00 0.00 3.32 0.00 0.00 57.90 59.60 1sju n TYR 26 Cb 0.52 1.44 0.00 0.00 -0.63 0.00 0.00 39.34 40.67 1sju n TYR 26 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1sju n THR 27 N 2.86 0.00 -0.07 2.97 -1.04 -1.26 -4.89 114.28 112.84 1sju n THR 27 Ca 0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.04 1sju n THR 27 Cb 0.56 -0.38 -0.05 0.00 -1.82 0.00 0.00 70.33 68.65 1sju n THR 27 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1sju h ASP 28 N 0.00 0.98 -4.62 8.00 3.04 -2.04 -3.48 116.42 118.30 1sju h ASP 28 Ca 0.00 -0.54 -0.05 0.00 -3.24 0.00 0.00 57.03 53.19 1sju h ASP 28 Cb 0.00 -0.28 0.04 0.00 -1.04 0.00 0.00 39.33 38.05 1sju h ASP 28 CO 0.00 1.35 -0.19 0.29 -2.04 0.00 0.00 179.24 178.65 1sju n LYS 29 N -4.00 -1.10 -0.88 4.15 5.02 -1.26 -4.89 118.16 115.20 1sju n LYS 29 Ca -0.05 0.99 -0.17 0.00 -2.02 0.00 0.00 58.31 57.06 1sju n LYS 29 Cb 0.64 -4.41 0.13 0.00 -0.02 0.00 0.00 35.03 31.38 1sju n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sju n GLY 30 N -1.46 3.79 0.00 0.72 0.00 -1.26 -4.87 105.19 102.11 1sju n GLY 30 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1sju n GLY 30 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sju n ILE 31 N -0.68 0.00 0.00 -0.61 3.06 -1.26 -4.96 119.36 114.91 1sju n ILE 31 Ca 0.43 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.68 1sju n ILE 31 Cb 1.35 0.00 0.00 0.00 0.54 0.00 0.00 39.64 41.53 1sju n ILE 31 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1sju n VAL 32 N 0.00 0.00 0.03 9.51 0.31 -1.26 -4.77 118.33 122.15 1sju n VAL 32 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1sju n VAL 32 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1sju n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sju n GLU 33 N -2.00 0.64 -0.00 5.55 -0.58 -1.26 -3.73 120.64 119.25 1sju n GLU 33 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1sju n GLU 33 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 31.44 29.15 1sju n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sju n GLN 34 N -2.56 3.37 -0.15 3.49 10.64 -1.26 -4.25 117.38 126.67 1sju n GLN 34 Ca -0.06 -0.02 0.12 0.00 -1.83 0.00 0.00 57.00 55.21 1sju n GLN 34 Cb 0.66 -0.92 0.23 0.00 -0.86 0.00 0.00 30.24 29.35 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sju n THR 37 N -3.36 0.06 -4.66 0.00 5.66 -1.26 -4.40 114.28 106.32 1sju n THR 37 Ca -0.20 -0.42 -0.29 0.00 -3.05 0.00 0.00 64.05 60.08 1sju n THR 37 Cb 0.65 0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 69.46 1sju n THR 37 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1sju s SER 38 N -4.35 3.82 0.58 1.09 0.15 -1.01 -4.99 113.70 109.00 1sju s SER 38 Ca -0.05 -1.50 -0.13 0.00 0.70 0.00 0.00 55.95 54.97 1sju s SER 38 Cb 0.14 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1sju s SER 38 CO 0.89 -0.65 1.01 -0.63 1.20 0.00 0.00 173.24 175.06 1sju s ILE 39 N -2.85 4.64 0.00 6.45 -1.09 -1.19 -3.96 121.20 123.20 1sju s ILE 39 Ca 0.23 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1sju s ILE 39 Cb 0.06 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1sju s ILE 39 CO 0.11 -0.98 0.00 0.00 -1.23 0.00 0.00 174.94 172.85 1sju s SER 41 N 0.31 -0.49 0.24 0.00 0.01 -1.26 -5.01 113.70 107.51 1sju s SER 41 Ca 0.00 -1.09 0.17 0.00 1.31 0.00 0.00 55.95 56.34 1sju s SER 41 Cb 0.00 1.42 0.82 0.00 0.21 0.00 0.00 66.02 68.47 1sju s SER 41 CO 0.00 -0.21 0.87 -0.11 0.41 0.00 0.00 173.24 174.21 1sju n LEU 42 N 4.35 0.13 0.10 2.44 0.00 -1.26 0.18 117.00 122.94 1sju n LEU 42 Ca 0.11 0.80 -0.12 0.00 0.00 0.00 0.00 56.01 56.79 1sju n LEU 42 Cb 0.52 -0.39 -0.06 0.00 0.00 0.00 0.00 43.42 43.49 1sju n LEU 42 CO 0.04 -0.87 0.80 0.22 0.00 0.00 0.00 177.39 177.57 1sju h TYR 43 N 0.00 -0.27 -0.27 1.96 3.20 -1.97 0.30 116.97 119.92 1sju h TYR 43 Ca 0.49 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.32 1sju h TYR 43 Cb 1.54 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 1sju h TYR 43 CO -0.00 -0.16 0.01 0.37 -1.64 0.00 0.00 178.16 176.73 1sju h GLN 44 N -0.23 0.46 -0.11 1.82 5.75 0.15 -2.70 115.11 120.25 1sju h GLN 44 Ca 0.01 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1sju h GLN 44 Cb 0.23 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1sju h GLN 44 CO -0.03 0.62 0.05 -0.07 -2.65 0.00 0.00 178.83 176.75 1sju h LEU 45 N 0.25 0.13 0.00 -2.39 3.38 -1.21 0.53 115.31 115.99 1sju h LEU 45 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sju h LEU 45 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sju h LEU 45 CO 0.01 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 1sju n GLU 46 N -4.50 0.81 -0.08 1.13 1.02 0.10 -2.65 120.64 116.48 1sju n GLU 46 Ca -0.01 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1sju n GLU 46 Cb 0.10 -1.24 0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sju n ASN 47 N -0.74 2.30 0.09 1.62 5.15 0.18 -4.58 115.26 119.29 1sju n ASN 47 Ca 0.09 -1.85 -0.19 0.00 -0.60 0.00 0.00 54.58 52.04 1sju n ASN 47 Cb 0.04 -0.10 -0.15 0.00 -0.53 0.00 0.00 39.78 39.05 1sju n ASN 47 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1sju h TYR 48 N 1.13 0.60 -4.18 1.20 -1.99 -1.57 -3.46 116.97 108.70 1sju h TYR 48 Ca 0.00 -0.44 -0.50 0.00 2.00 0.00 0.00 58.73 59.79 1sju h TYR 48 Cb 0.55 -0.02 0.06 0.00 2.00 0.00 0.00 36.73 39.31 1sju h TYR 48 CO 0.10 1.41 0.34 0.00 -0.00 0.00 0.00 178.16 180.02