#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle n PRO 2 N 0.00 0.00 -2.36 5.56 -0.04 -1.26 -4.87 135.00 132.03 1tle n PRO 2 Ca 0.00 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1tle n PRO 2 Cb 0.00 -0.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1tle n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tle s GLN 4 N -3.45 0.52 0.18 0.00 -2.07 -1.26 -5.05 119.66 108.53 1tle s GLN 4 Ca 0.67 0.94 -0.24 0.00 -1.82 0.00 0.00 55.36 54.91 1tle s GLN 4 Cb -0.18 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1tle s GLN 4 CO 0.25 -0.60 0.90 0.00 -1.32 0.00 0.00 175.29 174.53 1tle n ASN 6 N -0.47 -3.09 -3.73 0.00 4.13 -1.26 -4.71 115.26 106.14 1tle n ASN 6 Ca -0.06 0.76 -0.42 0.00 1.68 0.00 0.00 54.58 56.55 1tle n ASN 6 Cb 0.60 -0.87 -0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1tle n ASN 6 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1tle n ASP 7 N 2.38 4.11 -3.19 6.41 2.03 -1.26 -4.63 116.55 122.40 1tle n ASP 7 Ca 0.10 -2.86 -0.21 0.00 0.52 0.00 0.00 54.79 52.35 1tle n ASP 7 Cb 0.42 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.13 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1tle n ASN 8 N 5.83 0.66 -2.55 1.67 4.13 -1.26 -5.04 115.26 118.71 1tle n ASN 8 Ca 0.52 -2.89 -0.10 0.00 1.68 0.00 0.00 54.58 53.79 1tle n ASN 8 Cb 0.38 -0.63 -0.00 0.00 -1.54 0.00 0.00 39.78 37.99 1tle n ASN 8 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1tle n ILE 9 N 0.78 0.00 -3.71 2.41 -0.00 -1.26 -0.77 119.36 116.81 1tle n ILE 9 Ca 0.23 -1.13 -0.38 0.00 -0.00 0.00 0.00 62.75 61.47 1tle n ILE 9 Cb 0.59 0.85 -0.12 0.00 -0.00 0.00 0.00 39.64 40.97 1tle n ILE 9 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1tle s ASP 10 N -2.73 5.37 0.00 7.28 1.01 -1.26 -4.82 116.67 121.51 1tle s ASP 10 Ca 0.18 -0.88 0.25 0.00 0.71 0.00 0.00 52.55 52.82 1tle s ASP 10 Cb -0.02 -1.92 1.15 0.00 1.01 0.00 0.00 42.92 43.13 1tle s ASP 10 CO 0.13 -0.27 1.83 -0.81 0.21 0.00 0.00 175.17 176.25 1tle n PRO 11 N 4.89 0.13 0.00 8.23 -0.04 -1.26 -4.11 135.00 142.84 1tle n PRO 11 Ca -0.13 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1tle n PRO 11 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1tle n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1tle n ASN 12 N -1.42 0.00 -3.20 3.54 5.03 -1.26 -4.89 115.26 113.05 1tle n ASN 12 Ca 0.08 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1tle n ASN 12 Cb 0.26 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tle n ALA 13 N -1.38 0.00 -2.41 5.41 0.00 -1.26 -5.04 120.51 115.83 1tle n ALA 13 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1tle n ALA 13 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1tle n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tle s VAL 14 N -0.76 1.62 0.00 0.00 1.01 -1.26 -4.75 120.40 116.26 1tle s VAL 14 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1tle s VAL 14 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1tle s VAL 14 CO 0.00 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1tle n GLY 15 N 0.10 3.11 0.21 4.51 0.00 -1.26 -4.90 105.19 106.95 1tle n GLY 15 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1tle n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tle h ASN 16 N 0.07 0.00 -4.06 1.61 2.35 -1.85 -3.40 115.58 110.30 1tle h ASN 16 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 1tle h ASN 16 Cb 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.14 1tle h ASN 16 CO 0.00 0.00 -0.86 0.00 -1.65 0.00 0.00 177.43 174.92 1tle s ASN 18 N -1.87 7.11 0.15 0.00 0.01 -0.33 -4.77 114.94 115.25 1tle s ASN 18 Ca 0.11 1.80 -0.10 0.00 -0.71 0.00 0.00 52.86 53.96 1tle s ASN 18 Cb -0.10 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1tle s ASN 18 CO 0.05 -0.51 1.51 0.03 -1.51 0.00 0.00 177.10 176.66 1tle h ARG 19 N 7.22 0.96 0.00 -0.60 3.08 -1.92 0.04 114.38 123.16 1tle h ARG 19 Ca -0.36 -0.47 -0.16 0.00 0.07 0.00 0.00 59.98 59.06 1tle h ARG 19 Cb 1.17 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1tle h ARG 19 CO 0.85 1.13 -1.79 1.28 -1.07 0.00 0.00 179.97 180.37 1tle n LEU 20 N -4.08 0.41 -0.04 3.04 4.77 -1.26 -4.38 117.00 115.46 1tle n LEU 20 Ca -0.01 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1tle n LEU 20 Cb 0.51 0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.61 1tle n LEU 20 CO 0.48 0.17 -0.74 0.35 -1.33 0.00 0.00 177.39 176.32 1tle n THR 21 N -2.67 1.60 -2.24 -5.08 -2.24 -1.24 -5.02 114.28 97.38 1tle n THR 21 Ca -0.14 -0.77 -0.04 0.00 -2.27 0.00 0.00 64.05 60.84 1tle n THR 21 Cb 0.83 -1.10 0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1tle n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tle n GLY 22 N 1.72 -0.23 3.42 3.38 0.00 -0.00 -4.99 105.19 108.50 1tle n GLY 22 Ca -0.25 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1tle n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tle s GLU 23 N -3.41 1.26 -0.18 1.61 2.56 -1.25 -4.28 118.70 115.01 1tle s GLU 23 Ca 0.14 -0.43 -0.32 0.00 0.00 0.00 0.00 54.97 54.35 1tle s GLU 23 Cb -0.02 0.58 -0.10 0.00 2.00 0.00 0.00 34.13 36.60 1tle s GLU 23 CO 0.33 -0.54 2.06 0.00 -0.56 0.00 0.00 175.26 176.54 1tle n LEU 25 N 8.91 1.41 -3.83 0.00 0.00 -0.58 -4.51 117.00 118.39 1tle n LEU 25 Ca 0.29 0.02 -0.28 0.00 0.00 0.00 0.00 56.01 56.03 1tle n LEU 25 Cb 0.33 -0.19 -0.12 0.00 0.00 0.00 0.00 43.42 43.44 1tle n LEU 25 CO 0.72 0.68 -0.11 -0.75 0.00 0.00 0.00 177.39 177.92 1tle s LYS 26 N -2.52 2.08 0.80 1.96 2.20 -1.18 -5.02 119.74 118.05 1tle s LYS 26 Ca -0.19 -2.94 -0.15 0.00 -0.36 0.00 0.00 55.97 52.33 1tle s LYS 26 Cb 0.07 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1tle s LYS 26 CO 0.74 -1.25 0.69 0.00 -0.36 0.00 0.00 175.35 175.17 1tle n ILE 28 N -2.90 0.84 -1.56 0.00 -6.64 0.05 -4.80 119.36 104.36 1tle n ILE 28 Ca 0.10 0.27 -0.13 0.00 -1.77 0.00 0.00 62.75 61.22 1tle n ILE 28 Cb 0.51 -1.77 -0.11 0.00 -1.44 0.00 0.00 39.64 36.82 1tle n ILE 28 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1tle n TYR 29 N -3.47 0.90 -2.87 4.28 4.01 -1.26 -4.26 117.16 114.49 1tle n TYR 29 Ca -0.05 -0.14 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 1tle n TYR 29 Cb 0.20 -2.54 -0.01 0.00 -0.31 0.00 0.00 39.34 36.68 1tle n TYR 29 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1tle n ASN 30 N 19.37 0.07 -4.37 7.72 3.02 -1.26 -4.72 115.26 135.09 1tle n ASN 30 Ca 0.40 -0.19 -0.27 0.00 -0.03 0.00 0.00 54.58 54.49 1tle n ASN 30 Cb 0.46 -0.24 -0.12 0.00 -0.61 0.00 0.00 39.78 39.27 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1tle s THR 31 N -3.36 2.12 0.47 3.41 -4.23 -1.26 -1.51 115.64 111.28 1tle s THR 31 Ca 0.01 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1tle s THR 31 Cb -0.00 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1tle s THR 31 CO 0.15 -0.02 0.02 0.00 -0.54 0.00 0.00 174.62 174.23 1tle s ALA 32 N -1.29 3.71 0.00 3.99 0.00 -0.38 -4.67 121.76 123.11 1tle s ALA 32 Ca 0.14 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1tle s ALA 32 Cb -0.09 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1tle s ALA 32 CO 0.06 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1tle n GLY 33 N -1.14 2.31 0.35 0.00 0.00 -1.26 -0.52 105.19 104.92 1tle n GLY 33 Ca -0.14 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.24 1tle n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tle h PHE 34 N 0.00 0.24 -0.09 1.61 3.57 -1.96 -1.54 116.94 118.77 1tle h PHE 34 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1tle h PHE 34 Cb 0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1tle h PHE 34 CO 0.00 0.12 -0.08 0.66 -2.23 0.00 0.00 178.31 176.77 1tle n TYR 35 N -4.45 0.31 -3.13 0.41 4.02 -1.26 -4.25 117.16 108.81 1tle n TYR 35 Ca 0.07 -1.10 -0.12 0.00 -0.01 0.00 0.00 57.90 56.74 1tle n TYR 35 Cb 0.39 -0.23 0.06 0.00 -0.02 0.00 0.00 39.34 39.53 1tle n TYR 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tle n ASP 37 N -2.95 0.84 -2.47 0.00 9.92 0.32 -4.77 116.55 117.44 1tle n ASP 37 Ca -0.06 0.34 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1tle n ASP 37 Cb 0.60 0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 41.44 1tle n ASP 37 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1tle n ARG 38 N -2.73 0.70 -4.75 -1.24 1.74 -1.05 -4.70 116.66 104.62 1tle n ARG 38 Ca -0.03 -1.53 -0.33 0.00 -0.77 0.00 0.00 57.85 55.19 1tle n ARG 38 Cb 0.63 0.89 -0.13 0.00 -1.02 0.00 0.00 32.46 32.83 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tle n LYS 40 N 2.58 0.02 -1.68 0.00 5.02 -0.57 -4.72 118.16 118.80 1tle n LYS 40 Ca -0.18 0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 1tle n LYS 40 Cb 0.53 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 1tle n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1tle n GLU 41 N -2.23 2.76 0.00 1.97 2.13 -1.26 -1.73 120.64 122.27 1tle n GLU 41 Ca 0.10 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1tle n GLU 41 Cb 0.51 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tle n GLY 42 N 4.29 0.73 3.05 8.31 0.00 -1.26 -5.05 105.19 115.25 1tle n GLY 42 Ca 0.19 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1tle n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tle s PHE 43 N -0.79 1.69 0.00 1.61 0.08 -0.71 -4.59 117.98 115.27 1tle s PHE 43 Ca 0.00 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1tle s PHE 43 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1tle s PHE 43 CO 0.00 -0.35 0.00 1.19 -0.10 0.00 0.00 175.22 175.96 1tle n PHE 44 N 3.93 0.00 0.00 0.36 3.72 0.52 -4.13 117.46 121.86 1tle n PHE 44 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1tle n PHE 44 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1tle n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tle n GLY 45 N 5.00 0.12 2.69 1.37 0.00 -1.26 -0.59 105.19 112.51 1tle n GLY 45 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1tle n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tle s ASN 46 N -4.00 3.37 0.00 1.61 -0.87 -0.47 -4.88 114.94 109.70 1tle s ASN 46 Ca 0.00 -1.17 0.25 0.00 -1.57 0.00 0.00 52.86 50.36 1tle s ASN 46 Cb 0.00 -0.62 1.47 0.00 -0.02 0.00 0.00 41.25 42.08 1tle s ASN 46 CO 0.00 -0.37 1.89 -0.81 -2.57 0.00 0.00 177.10 175.24 1tle n PRO 47 N 5.04 0.90 -1.51 -0.60 -0.04 -1.26 -3.32 135.00 134.20 1tle n PRO 47 Ca -0.06 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.13 1tle n PRO 47 Cb 0.45 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1tle n PRO 47 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tle n LEU 48 N -0.93 6.22 -4.58 1.53 7.99 -1.26 -4.91 117.00 121.06 1tle n LEU 48 Ca 0.18 -4.36 -0.30 0.00 -0.01 0.00 0.00 56.01 51.52 1tle n LEU 48 Cb 0.08 -0.70 -0.10 0.00 -0.11 0.00 0.00 43.42 42.59 1tle n LEU 48 CO 0.14 1.65 -0.41 0.00 -1.51 0.00 0.00 177.39 177.26 1tle s ALA 49 N -3.65 2.96 0.19 -1.18 0.00 -1.21 -5.01 121.76 113.86 1tle s ALA 49 Ca 0.57 -1.19 0.13 0.00 0.00 0.00 0.00 51.96 51.47 1tle s ALA 49 Cb 0.46 -0.95 0.35 0.00 0.00 0.00 0.00 23.12 22.98 1tle s ALA 49 CO 0.02 0.64 1.59 -1.00 0.00 0.00 0.00 175.76 177.00 1tle h PRO 50 N 3.84 0.00 -5.72 0.00 0.13 -1.93 -3.44 132.00 124.88 1tle h PRO 50 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1tle h PRO 50 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1tle h PRO 50 CO 0.53 0.59 -0.51 0.54 -0.23 0.00 0.00 178.00 178.92 1tle s ASN 51 N -6.68 6.19 0.09 1.44 4.22 -1.26 -4.97 114.94 113.96 1tle s ASN 51 Ca -0.00 0.39 0.23 0.00 -2.14 0.00 0.00 52.86 51.34 1tle s ASN 51 Cb 0.11 -1.96 0.92 0.00 1.28 0.00 0.00 41.25 41.61 1tle s ASN 51 CO 0.75 0.38 1.71 -0.81 -2.04 0.00 0.00 177.10 177.09 1tle n PRO 52 N 1.84 0.08 0.22 3.55 -0.04 -1.26 -2.80 135.00 136.60 1tle n PRO 52 Ca -0.18 0.20 0.15 0.00 -0.04 0.00 0.00 63.50 63.62 1tle n PRO 52 Cb 0.54 -1.63 0.47 0.00 -0.04 0.00 0.00 33.50 32.85 1tle n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tle h ALA 53 N 2.62 1.00 -0.15 0.55 0.00 -1.97 -2.98 119.26 118.33 1tle h ALA 53 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1tle h ALA 53 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1tle h ALA 53 CO 0.00 0.00 -0.34 -0.25 0.00 0.00 0.00 179.25 178.66 1tle n ASP 54 N -2.91 2.04 0.00 0.00 9.92 -1.12 -4.99 116.55 119.49 1tle n ASP 54 Ca 0.02 -3.87 0.00 0.00 -0.53 0.00 0.00 54.79 50.42 1tle n ASP 54 Cb 0.38 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1tle n ASP 54 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1tle n LYS 55 N -1.12 3.52 -2.98 -1.24 4.81 -1.13 -3.21 118.16 116.81 1tle n LYS 55 Ca 0.25 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.45 1tle n LYS 55 Cb 0.83 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.88 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tle n LYS 57 N -2.08 -1.01 0.00 0.00 4.76 0.24 -4.93 118.16 115.14 1tle n LYS 57 Ca -0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 1tle n LYS 57 Cb 0.57 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 34.44 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03