#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 -4.30 1.97 0.31 -1.26 -5.02 118.33 110.04 1sju n VAL 2 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1sju n VAL 2 Cb 0.00 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 1sju n VAL 2 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1sju n ASN 3 N -2.85 0.94 -2.78 4.52 0.23 -1.26 -4.85 115.26 109.22 1sju n ASN 3 Ca 0.00 -1.26 -0.09 0.00 -0.53 0.00 0.00 54.58 52.70 1sju n ASN 3 Cb 0.44 -1.57 0.04 0.00 -2.08 0.00 0.00 39.78 36.62 1sju n ASN 3 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1sju n GLN 4 N -4.54 0.77 -1.77 -3.83 7.27 -1.26 -4.81 117.38 109.21 1sju n GLN 4 Ca -0.33 -1.82 0.00 0.00 0.07 0.00 0.00 57.00 54.92 1sju n GLN 4 Cb 0.69 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.89 1sju n GLN 4 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1sju n HIS 5 N 1.64 -4.11 0.00 3.69 8.25 -1.20 -5.02 115.22 118.48 1sju n HIS 5 Ca 0.10 2.45 0.00 0.00 -0.26 0.00 0.00 57.72 60.01 1sju n HIS 5 Cb 0.62 -3.40 0.00 0.00 1.12 0.00 0.00 29.99 28.34 1sju n HIS 5 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sju n LEU 6 N 1.46 0.00 -2.30 2.41 7.99 0.77 -4.88 117.00 122.45 1sju n LEU 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1sju n LEU 6 Cb 0.00 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1sju n LEU 6 CO 0.00 -0.30 -0.49 0.00 -1.51 0.00 0.00 177.39 175.09 1sju n GLY 8 N 1.85 0.00 0.16 0.00 0.00 -1.26 -0.20 105.19 105.74 1sju n GLY 8 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.29 -0.01 1.61 7.64 -1.26 0.33 113.62 121.63 1sju n SER 9 Ca 0.00 0.74 -0.16 0.00 1.01 0.00 0.00 58.87 60.46 1sju n SER 9 Cb 0.00 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 62.90 1sju n SER 9 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sju n ASP 10 N -4.61 1.59 -0.21 6.43 9.92 0.73 -2.60 116.55 127.79 1sju n ASP 10 Ca 0.04 0.27 -0.07 0.00 -0.53 0.00 0.00 54.79 54.50 1sju n ASP 10 Cb 0.16 -0.49 0.03 0.00 -0.64 0.00 0.00 41.12 40.18 1sju n ASP 10 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1sju h LEU 11 N 0.04 0.84 -0.01 0.64 6.46 0.20 -0.85 115.31 122.63 1sju h LEU 11 Ca -0.38 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.17 1sju h LEU 11 Cb 2.03 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 1sju h LEU 11 CO 0.08 0.80 -0.11 0.58 -0.62 0.00 0.00 178.44 179.17 1sju h VAL 12 N 0.84 1.54 0.00 1.05 2.07 0.52 -1.95 116.25 120.32 1sju h VAL 12 Ca 0.20 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1sju h VAL 12 Cb 0.23 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1sju h VAL 12 CO -0.01 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 177.42 1sju n GLU 13 N -4.65 0.11 -0.04 1.57 1.02 -1.07 -1.71 120.64 115.87 1sju n GLU 13 Ca -0.09 0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 57.56 1sju n GLU 13 Cb 0.40 -1.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1sju n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sju n ALA 14 N -1.69 0.27 -0.55 0.62 0.00 -0.33 -2.65 120.51 116.18 1sju n ALA 14 Ca -0.00 -0.31 0.46 0.00 0.00 0.00 0.00 53.44 53.59 1sju n ALA 14 Cb 0.07 0.01 0.78 0.00 0.00 0.00 0.00 19.45 20.31 1sju n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sju h LEU 15 N -0.57 0.00 0.62 0.00 -0.00 -1.28 3.09 115.31 117.17 1sju h LEU 15 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1sju h LEU 15 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1sju h LEU 15 CO 0.00 0.00 -0.30 0.22 -0.00 0.00 0.00 178.44 178.36 1sju h TYR 16 N 0.00 -0.77 -0.23 1.13 3.20 -1.45 -1.26 116.97 117.59 1sju h TYR 16 Ca 0.79 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.54 1sju h TYR 16 Cb 3.25 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 41.76 1sju h TYR 16 CO 0.00 -0.48 -0.29 1.37 -1.64 0.00 0.00 178.16 177.13 1sju h LEU 17 N -1.16 0.46 -0.63 2.82 8.10 0.17 2.32 115.31 127.39 1sju h LEU 17 Ca -0.08 -0.16 0.10 0.00 0.11 0.00 0.00 57.88 57.84 1sju h LEU 17 Cb 0.64 -0.13 -0.08 0.00 -0.44 0.00 0.00 40.66 40.65 1sju h LEU 17 CO 0.14 0.73 0.24 0.58 -4.11 0.00 0.00 178.44 176.02 1sju h VAL 18 N 0.40 0.75 0.00 0.15 2.07 0.50 -3.32 116.25 116.80 1sju h VAL 18 Ca 0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1sju h VAL 18 Cb 0.71 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1sju h VAL 18 CO 0.05 0.08 -1.04 0.00 0.02 0.00 0.00 177.57 176.68 1sju n GLY 20 N 1.46 0.15 3.76 0.00 0.00 0.77 -4.84 105.19 106.48 1sju n GLY 20 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.19 -0.43 1.61 0.00 -0.29 -4.84 120.64 111.51 1sju n GLU 21 Ca 0.00 0.62 0.08 0.00 0.00 0.00 0.00 57.16 57.86 1sju n GLU 21 Cb 0.00 -5.29 0.27 0.00 0.00 0.00 0.00 31.44 26.42 1sju n GLU 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1sju n ARG 22 N -4.41 2.89 -1.56 5.31 5.12 -1.26 -4.89 116.66 117.85 1sju n ARG 22 Ca -0.19 -2.12 0.00 0.00 -1.93 0.00 0.00 57.85 53.60 1sju n ARG 22 Cb 0.63 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1sju n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sju n GLY 23 N 1.04 0.48 3.54 -0.13 0.00 -1.26 -4.70 105.19 104.17 1sju n GLY 23 Ca 0.19 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.82 -0.23 -3.09 1.61 1.16 -1.26 -4.74 117.46 110.08 1sju n PHE 24 Ca 0.00 0.32 -0.39 0.00 -1.87 0.00 0.00 57.45 55.51 1sju n PHE 24 Cb 0.40 -1.92 -0.05 0.00 -1.61 0.00 0.00 39.48 36.30 1sju n PHE 24 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1sju s PHE 25 N -2.39 3.61 -0.43 2.97 0.08 0.43 -4.93 117.98 117.33 1sju s PHE 25 Ca 0.63 1.24 0.10 0.00 0.12 0.00 0.00 56.93 59.02 1sju s PHE 25 Cb -0.24 -2.75 0.35 0.00 -0.57 0.00 0.00 43.02 39.82 1sju s PHE 25 CO 0.61 0.17 0.81 0.66 -0.10 0.00 0.00 175.22 177.37 1sju n TYR 26 N 3.44 1.37 -2.71 0.36 4.02 -1.26 -4.82 117.16 117.57 1sju n TYR 26 Ca -0.03 -3.81 0.01 0.00 -0.01 0.00 0.00 57.90 54.06 1sju n TYR 26 Cb 0.51 -0.43 0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1sju n TYR 26 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1sju n THR 27 N 0.10 0.78 -0.73 -0.72 5.66 -1.26 -5.11 114.28 113.01 1sju n THR 27 Ca 0.26 -2.16 -0.01 0.00 -3.05 0.00 0.00 64.05 59.10 1sju n THR 27 Cb 0.59 1.18 0.01 0.00 -1.55 0.00 0.00 70.33 70.56 1sju n THR 27 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1sju n ASP 28 N -0.32 -0.60 -3.54 1.09 8.00 -1.26 -4.90 116.55 115.02 1sju n ASP 28 Ca 0.04 -0.72 -0.40 0.00 0.71 0.00 0.00 54.79 54.41 1sju n ASP 28 Cb 0.91 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1sju n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sju n LYS 29 N -1.39 4.72 -0.78 -1.24 4.76 -1.26 -4.55 118.16 118.42 1sju n LYS 29 Ca 0.00 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.72 1sju n LYS 29 Cb 0.02 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 30.60 1sju n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sju n GLY 30 N 1.42 1.07 0.52 0.72 0.00 -1.26 -4.83 105.19 102.84 1sju n GLY 30 Ca 0.58 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.93 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 -2.00 0.00 0.39 -0.61 3.06 -1.26 0.29 119.36 119.23 1sju n ILE 31 Ca 0.00 1.17 0.05 0.00 -2.50 0.00 0.00 62.75 61.47 1sju n ILE 31 Cb 0.00 -2.04 0.23 0.00 0.54 0.00 0.00 39.64 38.37 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 -3.25 1.14 1.75 9.51 0.31 -1.26 -1.65 118.33 124.88 1sju n VAL 32 Ca 0.28 0.29 0.11 0.00 -0.01 0.00 0.00 64.34 65.00 1sju n VAL 32 Cb 1.50 -1.11 0.64 0.00 -0.91 0.00 0.00 33.84 33.96 1sju n VAL 32 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1sju n GLU 33 N -1.44 0.87 0.02 5.55 0.28 0.83 -2.57 120.64 124.18 1sju n GLU 33 Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.14 1sju n GLU 33 Cb 0.11 -1.39 -0.13 0.00 1.43 0.00 0.00 31.44 31.46 1sju n GLU 33 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1sju n GLN 34 N -0.89 0.65 -0.03 3.44 7.27 -0.66 -4.31 117.38 122.85 1sju n GLN 34 Ca 0.16 -0.12 0.02 0.00 0.07 0.00 0.00 57.00 57.13 1sju n GLN 34 Cb 0.07 -1.59 0.03 0.00 2.41 0.00 0.00 30.24 31.16 1sju n GLN 34 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sju n THR 37 N -2.85 1.27 -2.37 0.00 -2.24 -1.26 -4.51 114.28 102.31 1sju n THR 37 Ca -0.23 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1sju n THR 37 Cb 1.06 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1sju n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sju n SER 38 N -3.20 0.75 -4.90 3.42 7.64 -1.26 -4.86 113.62 111.21 1sju n SER 38 Ca -0.40 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.20 1sju n SER 38 Cb 0.91 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 1sju n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sju s ILE 39 N 1.63 4.99 0.00 0.44 -1.09 -1.26 -3.22 121.20 122.69 1sju s ILE 39 Ca 0.00 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1sju s ILE 39 Cb 0.00 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1sju s ILE 39 CO 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 174.94 173.32 1sju s SER 41 N -1.00 -1.60 0.62 0.00 0.15 -1.26 -4.87 113.70 105.75 1sju s SER 41 Ca 0.00 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.68 1sju s SER 41 Cb 0.00 2.01 0.64 0.00 -1.71 0.00 0.00 66.02 66.96 1sju s SER 41 CO 0.00 -0.25 1.22 0.17 1.20 0.00 0.00 173.24 175.58 1sju h LEU 42 N 7.64 0.00 -0.14 3.45 -0.00 -1.99 1.65 115.31 125.92 1sju h LEU 42 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.83 1sju h LEU 42 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1sju h LEU 42 CO 0.13 0.00 -0.16 0.22 -0.00 0.00 0.00 178.44 178.63 1sju h TYR 43 N 0.00 0.43 -0.23 0.17 5.03 -1.99 -1.44 116.97 118.95 1sju h TYR 43 Ca 0.34 -0.13 -0.17 0.00 2.58 0.00 0.00 58.73 61.34 1sju h TYR 43 Cb 2.62 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 40.81 1sju h TYR 43 CO 0.00 0.77 -0.51 1.96 -1.32 0.00 0.00 178.16 179.06 1sju h GLN 44 N -0.03 0.74 -0.09 1.82 1.08 0.20 -2.86 115.11 115.96 1sju h GLN 44 Ca 0.02 -0.50 0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1sju h GLN 44 Cb 0.71 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1sju h GLN 44 CO 0.04 1.12 0.07 -0.07 -0.95 0.00 0.00 178.83 179.04 1sju h LEU 45 N 0.47 0.00 0.00 1.46 3.38 -1.05 0.65 115.31 120.22 1sju h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sju h LEU 45 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1sju h LEU 45 CO 0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 1sju n GLU 46 N -4.33 0.27 -0.90 1.13 -0.58 -0.54 -2.49 120.64 113.18 1sju n GLU 46 Ca -0.01 0.08 -0.08 0.00 -0.42 0.00 0.00 57.16 56.73 1sju n GLU 46 Cb 0.18 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.76 1sju n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sju n ASN 47 N -1.12 3.10 -0.36 1.62 3.02 0.22 -4.41 115.26 117.32 1sju n ASN 47 Ca 0.07 -3.63 0.04 0.00 -0.03 0.00 0.00 54.58 51.03 1sju n ASN 47 Cb 0.06 -0.69 0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1sju n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sju n TYR 48 N -1.01 0.00 -3.32 3.10 4.01 -1.04 -5.04 117.16 113.86 1sju n TYR 48 Ca 0.40 -0.46 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1sju n TYR 48 Cb 1.22 -0.10 -0.00 0.00 -0.31 0.00 0.00 39.34 40.15 1sju n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40