#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 1.80 -1.21 -2.13 0.11 -1.26 -5.05 120.40 112.66 1sju s VAL 2 Ca 0.00 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.15 1sju s VAL 2 Cb 0.00 -1.65 0.19 0.00 -1.53 0.00 0.00 36.38 33.38 1sju s VAL 2 CO 0.00 0.50 1.53 -0.46 -3.33 0.00 0.00 175.10 173.34 1sju n ASN 3 N 4.66 5.28 -0.46 3.54 0.23 -1.26 -4.88 115.26 122.37 1sju n ASN 3 Ca -0.19 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 1sju n ASN 3 Cb 0.50 -1.51 0.00 0.00 -2.08 0.00 0.00 39.78 36.69 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 4.63 0.00 -1.85 -3.83 6.02 -1.26 -4.89 117.38 116.21 1sju n GLN 4 Ca 0.36 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.93 1sju n GLN 4 Cb 0.40 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.63 1sju n GLN 4 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1sju s HIS 5 N -4.68 2.09 -0.13 1.08 3.76 -1.26 -4.07 115.29 112.07 1sju s HIS 5 Ca 0.00 0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1sju s HIS 5 Cb 0.00 -4.06 -0.08 0.00 1.11 0.00 0.00 32.58 29.56 1sju s HIS 5 CO 0.00 -4.40 -0.12 1.28 -0.85 0.00 0.00 174.74 170.65 1sju n LEU 6 N 6.20 2.65 -1.64 0.89 7.99 -1.10 -5.01 117.00 126.97 1sju n LEU 6 Ca 0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1sju n LEU 6 Cb 0.40 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1sju n LEU 6 CO 0.64 0.64 -0.49 0.00 -1.51 0.00 0.00 177.39 176.67 1sju n GLY 8 N -2.24 -0.88 0.00 0.00 0.00 -1.26 0.28 105.19 101.09 1sju n GLY 8 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sju n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sju n SER 9 N -4.49 0.00 0.25 1.61 7.64 -1.26 -0.26 113.62 117.12 1sju n SER 9 Ca 0.02 0.64 0.10 0.00 1.01 0.00 0.00 58.87 60.64 1sju n SER 9 Cb 0.11 -0.14 0.67 0.00 -1.01 0.00 0.00 64.21 63.85 1sju n SER 9 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1sju h ASP 10 N 0.00 0.00 0.19 6.43 3.32 -0.57 -0.62 116.42 125.17 1sju h ASP 10 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sju h ASP 10 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1sju h ASP 10 CO 0.00 0.12 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.27 1sju h LEU 11 N 0.00 -0.88 -0.17 1.55 -0.00 0.56 0.37 115.31 116.73 1sju h LEU 11 Ca -0.00 0.08 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 1sju h LEU 11 Cb 0.28 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1sju h LEU 11 CO 0.02 -0.36 -0.26 -0.37 -0.00 0.00 0.00 178.44 177.46 1sju h VAL 12 N -0.52 1.35 -1.03 1.22 -1.51 -0.52 0.39 116.25 115.63 1sju h VAL 12 Ca -0.02 -1.49 0.28 0.00 -1.23 0.00 0.00 66.70 64.25 1sju h VAL 12 Cb 0.48 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.48 1sju h VAL 12 CO -0.10 0.45 0.71 -0.08 -1.23 0.00 0.00 177.57 177.32 1sju h GLU 13 N 0.13 0.13 0.00 5.19 4.57 -1.00 1.38 114.58 124.98 1sju h GLU 13 Ca 0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1sju h GLU 13 Cb 0.84 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1sju h GLU 13 CO 0.06 0.09 -0.37 0.00 -1.18 0.00 0.00 179.01 177.61 1sju h ALA 14 N 1.53 0.00 -1.81 2.92 0.00 0.03 -2.86 119.26 119.06 1sju h ALA 14 Ca 0.52 -0.38 0.53 0.00 0.00 0.00 0.00 54.91 55.58 1sju h ALA 14 Cb 1.79 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.88 1sju h ALA 14 CO -0.09 0.37 1.30 -0.07 0.00 0.00 0.00 179.25 180.76 1sju h LEU 15 N -0.97 0.00 0.34 0.00 4.07 0.47 3.19 115.31 122.40 1sju h LEU 15 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1sju h LEU 15 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1sju h LEU 15 CO 0.00 -0.00 -0.16 0.22 -1.08 0.00 0.00 178.44 177.41 1sju h TYR 16 N 0.00 -0.42 0.00 1.13 3.20 0.18 0.23 116.97 121.28 1sju h TYR 16 Ca 0.86 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.72 1sju h TYR 16 Cb 3.46 0.14 0.00 0.00 1.54 0.00 0.00 36.73 41.87 1sju h TYR 16 CO -0.00 -0.09 0.00 -0.11 -1.64 0.00 0.00 178.16 176.32 1sju n LEU 17 N -5.13 0.37 0.07 2.82 7.94 0.74 -1.98 117.00 121.84 1sju n LEU 17 Ca -0.09 0.59 -0.20 0.00 -1.11 0.00 0.00 56.01 55.20 1sju n LEU 17 Cb 0.27 -0.54 -0.15 0.00 0.53 0.00 0.00 43.42 43.54 1sju n LEU 17 CO 0.28 -0.41 -0.41 0.58 -1.11 0.00 0.00 177.39 176.31 1sju h VAL 18 N 0.00 1.07 0.00 1.96 2.07 0.51 -3.40 116.25 118.46 1sju h VAL 18 Ca 0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1sju h VAL 18 Cb 0.32 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1sju h VAL 18 CO 0.00 0.83 -0.09 0.00 0.02 0.00 0.00 177.57 178.33 1sju n GLY 20 N 1.81 1.55 1.16 0.00 0.00 -0.84 -4.83 105.19 104.05 1sju n GLY 20 Ca -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1sju n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sju n GLU 21 N 0.00 0.13 -0.50 1.61 2.13 -1.26 -4.89 120.64 117.86 1sju n GLU 21 Ca 0.00 -1.03 0.07 0.00 0.66 0.00 0.00 57.16 56.85 1sju n GLU 21 Cb 0.00 0.49 0.20 0.00 0.27 0.00 0.00 31.44 32.39 1sju n GLU 21 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1sju n ARG 22 N -0.14 1.54 -1.59 5.31 0.63 -1.26 -5.08 116.66 116.07 1sju n ARG 22 Ca -0.27 -3.16 0.00 0.00 -0.92 0.00 0.00 57.85 53.50 1sju n ARG 22 Cb 0.72 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 32.03 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sju n GLY 23 N -1.18 -4.51 3.59 5.14 0.00 -1.26 -2.53 105.19 104.44 1sju n GLY 23 Ca 0.19 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1sju n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sju s PHE 24 N -3.92 2.72 0.00 1.61 -0.12 -1.26 0.26 117.98 117.27 1sju s PHE 24 Ca 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1sju s PHE 24 Cb 0.00 -1.38 0.00 0.00 -0.63 0.00 0.00 43.02 41.01 1sju s PHE 24 CO 0.00 0.47 0.00 0.34 -0.05 0.00 0.00 175.22 175.98 1sju n PHE 25 N 0.37 0.00 -1.01 3.49 -0.00 0.75 -4.68 117.46 116.39 1sju n PHE 25 Ca -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.33 1sju n PHE 25 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.02 1sju n PHE 25 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1sju n TYR 26 N 0.00 0.00 -3.59 -5.13 4.19 -1.26 -4.89 117.16 106.48 1sju n TYR 26 Ca 0.00 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 60.94 1sju n TYR 26 Cb 0.00 -0.76 -0.11 0.00 0.49 0.00 0.00 39.34 38.96 1sju n TYR 26 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1sju n THR 27 N -2.64 -0.04 0.00 2.97 -1.04 -1.26 -4.65 114.28 107.62 1sju n THR 27 Ca -0.00 -4.03 0.00 0.00 -2.04 0.00 0.00 64.05 57.98 1sju n THR 27 Cb 0.19 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1sju n THR 27 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sju n ASP 28 N 2.44 0.00 0.00 8.00 9.92 -1.26 -5.17 116.55 130.49 1sju n ASP 28 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1sju n ASP 28 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1sju n ASP 28 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sju n LYS 29 N 0.00 -2.39 0.08 -1.24 4.76 -1.26 -4.93 118.16 113.18 1sju n LYS 29 Ca 0.00 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.64 1sju n LYS 29 Cb 0.00 0.00 0.65 0.00 -1.84 0.00 0.00 35.03 33.84 1sju n LYS 29 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1sju h GLY 30 N 0.00 0.00 -3.59 0.72 0.00 -2.02 -3.42 103.07 94.76 1sju h GLY 30 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1sju h GLY 30 CO 0.00 0.00 -1.13 1.39 0.00 0.00 0.00 176.54 176.80 1sju n ILE 31 N -3.40 0.40 0.00 2.60 -0.00 -1.26 -1.14 119.36 116.55 1sju n ILE 31 Ca 0.09 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1sju n ILE 31 Cb 0.80 -0.14 0.00 0.00 -0.00 0.00 0.00 39.64 40.30 1sju n ILE 31 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1sju n VAL 32 N -1.79 0.00 0.12 1.39 0.24 -1.26 -4.60 118.33 112.42 1sju n VAL 32 Ca 0.07 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.44 1sju n VAL 32 Cb 0.49 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 1sju n VAL 32 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sju n GLU 33 N -0.37 0.79 -0.01 7.34 -0.58 -0.29 -4.19 120.64 123.33 1sju n GLU 33 Ca 0.00 -0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.70 1sju n GLU 33 Cb 0.00 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 29.45 1sju n GLU 33 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1sju n GLN 34 N -1.88 0.43 -0.04 3.49 6.02 -1.18 -4.30 117.38 119.92 1sju n GLN 34 Ca -0.02 -0.13 0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1sju n GLN 34 Cb 0.35 -1.34 0.43 0.00 1.02 0.00 0.00 30.24 30.70 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sju h THR 37 N -0.78 0.56 -6.00 0.00 1.03 -1.76 -3.35 112.91 102.61 1sju h THR 37 Ca 0.00 -1.11 -0.38 0.00 -0.01 0.00 0.00 66.41 64.91 1sju h THR 37 Cb 0.78 1.76 0.02 0.00 -1.07 0.00 0.00 68.15 69.64 1sju h THR 37 CO 0.00 0.22 -0.05 -0.24 -0.01 0.00 0.00 175.52 175.44 1sju n SER 38 N -3.40 1.63 -4.34 0.00 2.88 -0.98 -4.89 113.62 104.52 1sju n SER 38 Ca 0.00 -2.19 -0.39 0.00 -1.33 0.00 0.00 58.87 54.96 1sju n SER 38 Cb 0.43 -0.33 -0.12 0.00 -0.75 0.00 0.00 64.21 63.43 1sju n SER 38 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sju s ILE 39 N -1.81 4.15 0.00 2.46 -1.09 -1.26 -4.11 121.20 119.54 1sju s ILE 39 Ca 0.47 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1sju s ILE 39 Cb -0.04 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1sju s ILE 39 CO 0.30 -0.12 0.00 0.00 -1.23 0.00 0.00 174.94 173.89 1sju s SER 41 N -1.99 -1.30 0.07 0.00 0.15 -1.26 -4.84 113.70 104.54 1sju s SER 41 Ca 0.00 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1sju s SER 41 Cb 0.00 1.88 0.21 0.00 -1.71 0.00 0.00 66.02 66.40 1sju s SER 41 CO 0.00 -0.29 0.34 -0.11 1.20 0.00 0.00 173.24 174.38 1sju n LEU 42 N 5.26 0.01 0.06 3.45 -0.00 -1.26 0.30 117.00 124.83 1sju n LEU 42 Ca 0.05 0.36 -0.13 0.00 -0.00 0.00 0.00 56.01 56.30 1sju n LEU 42 Cb 0.54 -0.15 -0.08 0.00 -0.00 0.00 0.00 43.42 43.73 1sju n LEU 42 CO -0.04 -0.38 0.82 1.88 -0.00 0.00 0.00 177.39 179.66 1sju h TYR 43 N 0.00 -0.07 -0.45 1.96 0.05 -1.98 -1.52 116.97 114.96 1sju h TYR 43 Ca 0.15 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1sju h TYR 43 Cb 0.35 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1sju h TYR 43 CO -0.07 0.03 0.27 -0.56 -1.05 0.00 0.00 178.16 176.78 1sju h GLN 44 N -0.14 0.61 -0.83 4.88 3.07 0.43 -1.43 115.11 121.70 1sju h GLN 44 Ca -0.01 -0.06 0.18 0.00 0.09 0.00 0.00 58.65 58.85 1sju h GLN 44 Cb 0.12 -0.13 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 1sju h GLN 44 CO 0.01 0.45 0.55 -0.07 0.09 0.00 0.00 178.83 179.87 1sju h LEU 45 N 0.60 0.39 0.00 0.06 3.38 -1.06 1.50 115.31 120.18 1sju h LEU 45 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sju h LEU 45 Cb -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sju h LEU 45 CO -0.03 0.18 0.00 1.21 0.09 0.00 0.00 178.44 179.89 1sju n GLU 46 N -4.49 0.76 0.00 1.13 0.00 -0.55 -2.63 120.64 114.86 1sju n GLU 46 Ca 0.17 0.01 0.13 0.00 0.00 0.00 0.00 57.16 57.46 1sju n GLU 46 Cb 0.62 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.85 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1sju n ASN 47 N -1.03 1.91 0.00 4.31 2.85 0.51 -4.50 115.26 119.31 1sju n ASN 47 Ca 0.19 -1.52 0.00 0.00 -0.11 0.00 0.00 54.58 53.14 1sju n ASN 47 Cb 0.10 0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sju n TYR 48 N 0.30 0.00 -0.72 1.20 4.01 -1.08 -4.97 117.16 115.89 1sju n TYR 48 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1sju n TYR 48 Cb 0.44 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40