#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sju n VAL 2 N 0.00 0.00 -3.13 1.97 0.24 -1.26 -5.01 118.33 111.14 1sju n VAL 2 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1sju n VAL 2 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1sju n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sju n ASN 3 N -2.88 1.52 -2.35 -1.34 4.13 -1.26 -4.35 115.26 108.72 1sju n ASN 3 Ca 0.00 -3.13 -0.08 0.00 1.68 0.00 0.00 54.58 53.05 1sju n ASN 3 Cb 0.00 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 1sju n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sju n GLN 4 N 0.18 0.68 -2.85 3.52 6.02 -1.26 -4.99 117.38 118.67 1sju n GLN 4 Ca 0.26 -1.79 -0.40 0.00 -0.01 0.00 0.00 57.00 55.05 1sju n GLN 4 Cb 0.61 1.98 -0.05 0.00 1.02 0.00 0.00 30.24 33.80 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 -3.84 3.84 0.00 1.08 3.76 -1.26 -4.13 115.29 114.74 1sju s HIS 5 Ca 0.16 1.70 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 1sju s HIS 5 Cb -0.02 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1sju s HIS 5 CO 0.12 0.33 0.00 1.47 -0.85 0.00 0.00 174.74 175.80 1sju n LEU 6 N 2.35 0.75 -1.09 0.89 -0.00 -1.11 -5.03 117.00 113.76 1sju n LEU 6 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.13 1sju n LEU 6 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.85 1sju n LEU 6 CO 0.49 0.13 -0.41 0.00 -0.00 0.00 0.00 177.39 177.60 1sju n GLY 8 N -3.83 -2.18 0.00 0.00 0.00 -1.26 0.26 105.19 98.18 1sju n GLY 8 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -5.15 0.00 0.25 1.61 3.41 -1.26 -0.22 113.62 112.26 1sju n SER 9 Ca 0.04 0.56 0.17 0.00 -0.26 0.00 0.00 58.87 59.38 1sju n SER 9 Cb 0.26 -0.06 0.88 0.00 -0.26 0.00 0.00 64.21 65.03 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 0.00 0.24 4.04 3.32 -1.18 -1.36 116.42 121.48 1sju h ASP 10 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sju h ASP 10 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sju h ASP 10 CO 0.00 0.00 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.34 1sju h LEU 11 N 0.00 -0.27 -0.66 1.55 3.38 0.61 -2.90 115.31 117.02 1sju h LEU 11 Ca 0.00 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1sju h LEU 11 Cb 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1sju h LEU 11 CO 0.00 -0.13 -0.19 -0.37 0.09 0.00 0.00 178.44 177.84 1sju h VAL 12 N -0.44 1.27 -1.34 1.22 -1.51 -0.53 -1.91 116.25 113.01 1sju h VAL 12 Ca -0.03 -1.31 0.39 0.00 -1.23 0.00 0.00 66.70 64.51 1sju h VAL 12 Cb 0.24 1.14 -0.06 0.00 -2.13 0.00 0.00 31.29 30.48 1sju h VAL 12 CO 0.05 0.45 0.95 -0.08 -1.23 0.00 0.00 177.57 177.70 1sju h GLU 13 N 0.74 0.05 0.00 5.19 4.81 -1.33 0.42 114.58 124.46 1sju h GLU 13 Ca 0.11 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1sju h GLU 13 Cb 0.72 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1sju h GLU 13 CO 0.06 0.03 -0.48 0.00 -0.73 0.00 0.00 179.01 177.88 1sju h ALA 14 N 1.37 0.05 -1.75 2.92 0.00 -1.18 -2.87 119.26 117.79 1sju h ALA 14 Ca 0.66 -0.51 0.52 0.00 0.00 0.00 0.00 54.91 55.58 1sju h ALA 14 Cb 2.50 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 20.60 1sju h ALA 14 CO -0.07 0.39 1.24 1.28 0.00 0.00 0.00 179.25 182.08 1sju n LEU 15 N -4.62 0.05 0.12 0.00 4.32 -0.30 0.37 117.00 116.93 1sju n LEU 15 Ca -0.10 1.03 -0.11 0.00 -0.02 0.00 0.00 56.01 56.81 1sju n LEU 15 Cb 0.29 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.51 1sju n LEU 15 CO 0.11 -1.05 0.37 0.22 -1.22 0.00 0.00 177.39 175.82 1sju h TYR 16 N 0.00 -0.34 0.00 -1.77 3.20 -0.31 -2.71 116.97 115.04 1sju h TYR 16 Ca 0.88 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.73 1sju h TYR 16 Cb 3.39 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 41.77 1sju h TYR 16 CO -0.00 -0.00 -0.07 1.25 -1.64 0.00 0.00 178.16 177.70 1sju h LEU 17 N -0.94 0.00 -0.35 2.82 6.46 0.40 2.11 115.31 125.82 1sju h LEU 17 Ca -0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1sju h LEU 17 Cb 0.50 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1sju h LEU 17 CO 0.06 0.07 0.21 0.58 -0.62 0.00 0.00 178.44 178.75 1sju h VAL 18 N 0.00 1.12 0.00 1.05 2.07 0.67 -3.38 116.25 117.77 1sju h VAL 18 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1sju h VAL 18 Cb 0.54 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1sju h VAL 18 CO 0.01 0.12 -0.95 0.00 0.02 0.00 0.00 177.57 176.76 1sju n GLY 20 N 3.22 -0.72 0.66 0.00 0.00 0.71 -4.78 105.19 104.28 1sju n GLY 20 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.85 0.00 -0.28 1.61 4.07 -1.26 -4.92 120.64 115.01 1sju n GLU 21 Ca -0.15 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.07 1sju n GLU 21 Cb 0.59 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 32.25 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1sju n ARG 22 N -1.50 2.58 0.00 5.31 3.00 -1.26 -5.06 116.66 119.74 1sju n ARG 22 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 57.85 55.41 1sju n ARG 22 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sju n GLY 23 N 1.58 -1.72 3.98 -0.13 0.00 -1.26 -4.88 105.19 102.75 1sju n GLY 23 Ca 0.22 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.38 3.01 0.28 1.61 -0.12 -1.26 -3.55 117.98 114.57 1sju s PHE 24 Ca 0.00 -0.09 -0.15 0.00 -0.05 0.00 0.00 56.93 56.64 1sju s PHE 24 Cb 0.00 -2.34 -0.08 0.00 -0.63 0.00 0.00 43.02 39.96 1sju s PHE 24 CO 0.00 -0.40 0.69 -0.59 -0.05 0.00 0.00 175.22 174.88 1sju s PHE 25 N -2.45 3.44 -0.33 3.49 -0.12 0.25 -4.93 117.98 117.34 1sju s PHE 25 Ca 0.51 1.18 0.11 0.00 -0.05 0.00 0.00 56.93 58.68 1sju s PHE 25 Cb -0.10 -2.50 0.36 0.00 -0.63 0.00 0.00 43.02 40.15 1sju s PHE 25 CO 0.35 0.18 1.40 0.98 -0.05 0.00 0.00 175.22 178.08 1sju n TYR 26 N -0.08 -1.95 -3.20 3.49 9.36 -1.26 -4.89 117.16 118.62 1sju n TYR 26 Ca 0.02 -1.60 -0.02 0.00 3.32 0.00 0.00 57.90 59.62 1sju n TYR 26 Cb 0.53 1.49 -0.02 0.00 -0.63 0.00 0.00 39.34 40.70 1sju n TYR 26 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1sju s THR 27 N 0.13 -0.91 0.00 2.97 -1.32 -1.26 -4.95 115.64 110.30 1sju s THR 27 Ca 0.11 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1sju s THR 27 Cb 0.39 -0.08 0.00 0.00 -1.51 0.00 0.00 72.50 71.29 1sju s THR 27 CO -0.11 -0.08 0.00 0.47 -2.21 0.00 0.00 174.62 172.70 1sju n ASP 28 N 4.31 0.00 -3.99 8.08 8.00 -1.26 -5.15 116.55 126.54 1sju n ASP 28 Ca 0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1sju n ASP 28 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1sju n ASP 28 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1sju s LYS 29 N 0.00 1.36 -0.33 -1.24 2.47 -1.26 -5.05 119.74 115.69 1sju s LYS 29 Ca 0.00 -1.68 0.06 0.00 -1.56 0.00 0.00 55.97 52.79 1sju s LYS 29 Cb 0.00 0.30 0.46 0.00 -1.46 0.00 0.00 37.83 37.13 1sju s LYS 29 CO 0.00 -0.48 1.26 0.41 0.16 0.00 0.00 175.35 176.70 1sju n GLY 30 N -0.36 6.34 0.50 5.54 0.00 -1.26 -4.78 105.19 111.18 1sju n GLY 30 Ca 0.03 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.71 0.01 0.28 -0.61 3.06 -1.26 -3.54 119.36 116.58 1sju n ILE 31 Ca 0.45 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.82 1sju n ILE 31 Cb 0.93 -0.47 0.14 0.00 0.54 0.00 0.00 39.64 40.78 1sju n ILE 31 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1sju h VAL 32 N 0.00 0.00 -0.00 9.51 3.04 -2.01 -3.20 116.25 123.60 1sju h VAL 32 Ca 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1sju h VAL 32 Cb 0.47 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1sju h VAL 32 CO 0.00 0.00 -0.36 -1.84 -1.01 0.00 0.00 177.57 174.36 1sju n GLU 33 N -2.73 0.11 0.04 4.17 0.28 -1.23 -3.14 120.64 118.14 1sju n GLU 33 Ca 0.03 -0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.09 1sju n GLU 33 Cb 0.51 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.12 1sju n GLU 33 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sju n GLN 34 N -1.40 0.17 -0.01 3.44 6.02 -1.21 -3.46 117.38 120.93 1sju n GLN 34 Ca 0.07 0.05 0.02 0.00 -0.01 0.00 0.00 57.00 57.14 1sju n GLN 34 Cb 0.33 -1.61 0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.00 1.60 -3.83 0.00 1.03 -1.84 -3.40 112.91 105.47 1sju h THR 37 Ca -0.25 -3.11 0.00 0.00 -0.01 0.00 0.00 66.41 63.04 1sju h THR 37 Cb 1.21 2.70 0.00 0.00 -1.07 0.00 0.00 68.15 70.99 1sju h THR 37 CO -0.15 0.88 0.00 -1.54 -0.01 0.00 0.00 175.52 174.70 1sju n SER 38 N -3.41 1.14 -4.74 0.00 3.41 -1.26 -5.00 113.62 103.76 1sju n SER 38 Ca -0.00 -0.83 -0.35 0.00 -0.26 0.00 0.00 58.87 57.43 1sju n SER 38 Cb 0.87 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.74 1sju n SER 38 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sju s ILE 39 N 0.12 5.41 0.00 -1.33 -1.09 -1.26 -4.43 121.20 118.63 1sju s ILE 39 Ca 0.00 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1sju s ILE 39 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1sju s ILE 39 CO 0.00 0.45 0.00 0.00 -1.23 0.00 0.00 174.94 174.16 1sju s SER 41 N -1.17 -1.55 0.35 0.00 1.04 -1.26 -4.91 113.70 106.20 1sju s SER 41 Ca 0.00 -0.33 0.29 0.00 0.48 0.00 0.00 55.95 56.39 1sju s SER 41 Cb 0.00 1.97 1.14 0.00 0.10 0.00 0.00 66.02 69.23 1sju s SER 41 CO 0.00 -0.22 1.11 0.00 0.98 0.00 0.00 173.24 175.11 1sju n LEU 42 N 4.86 0.08 0.16 2.42 -0.00 -1.26 0.74 117.00 124.00 1sju n LEU 42 Ca 0.08 0.86 -0.09 0.00 -0.00 0.00 0.00 56.01 56.86 1sju n LEU 42 Cb 0.56 -0.42 -0.05 0.00 -0.00 0.00 0.00 43.42 43.51 1sju n LEU 42 CO -0.03 -0.90 0.51 0.22 -0.00 0.00 0.00 177.39 177.19 1sju h TYR 43 N 0.00 -0.63 -0.20 1.47 3.20 -1.95 2.34 116.97 121.20 1sju h TYR 43 Ca 0.65 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.50 1sju h TYR 43 Cb 2.33 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 40.83 1sju h TYR 43 CO -0.00 -0.32 0.06 1.96 -1.64 0.00 0.00 178.16 178.21 1sju h GLN 44 N -0.51 0.31 -0.66 1.82 1.08 -0.10 -2.65 115.11 114.41 1sju h GLN 44 Ca -0.04 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1sju h GLN 44 Cb 0.42 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1sju h GLN 44 CO 0.01 0.43 0.44 1.25 -0.95 0.00 0.00 178.83 180.00 1sju h LEU 45 N 0.14 0.65 0.00 1.46 7.12 -0.56 0.21 115.31 124.33 1sju h LEU 45 Ca 0.06 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1sju h LEU 45 Cb 0.25 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1sju h LEU 45 CO -0.00 0.44 0.00 -0.62 -0.13 0.00 0.00 178.44 178.13 1sju n GLU 46 N -4.47 0.25 -0.61 1.25 -0.58 0.79 -2.07 120.64 115.21 1sju n GLU 46 Ca 0.09 0.12 0.05 0.00 -0.42 0.00 0.00 57.16 57.00 1sju n GLU 46 Cb 0.16 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 29.80 1sju n GLU 46 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1sju n ASN 47 N -1.23 4.03 -1.42 1.62 5.15 0.73 -4.40 115.26 119.74 1sju n ASN 47 Ca 0.07 -3.13 0.08 0.00 -0.60 0.00 0.00 54.58 51.00 1sju n ASN 47 Cb 0.10 -0.60 0.33 0.00 -0.53 0.00 0.00 39.78 39.09 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1sju n TYR 48 N -0.43 1.50 -3.92 1.20 4.02 -0.88 -4.95 117.16 113.70 1sju n TYR 48 Ca 0.26 -0.75 -0.09 0.00 -0.01 0.00 0.00 57.90 57.31 1sju n TYR 48 Cb 1.01 -0.37 -0.07 0.00 -0.02 0.00 0.00 39.34 39.88 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85