#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 0.09 -3.93 -0.14 -0.04 -1.26 -5.07 135.00 124.65 1tle n PRO 2 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1tle n PRO 2 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1tle n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tle n GLN 4 N -0.55 0.00 -1.67 0.00 6.02 -1.26 -4.18 117.38 115.74 1tle n GLN 4 Ca -0.07 0.00 -0.49 0.00 -0.01 0.00 0.00 57.00 56.44 1tle n GLN 4 Cb 0.54 -0.16 -0.05 0.00 1.02 0.00 0.00 30.24 31.59 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tle n ASN 6 N 4.71 0.00 0.00 0.00 3.02 -1.26 -4.78 115.26 116.95 1tle n ASN 6 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1tle n ASN 6 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1tle n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tle n ASP 7 N 0.00 0.00 -3.24 6.41 -0.08 -1.26 -4.46 116.55 113.92 1tle n ASP 7 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 1tle n ASP 7 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1tle n ASN 8 N 4.20 0.53 -3.93 1.67 4.13 -1.26 -4.96 115.26 115.63 1tle n ASN 8 Ca 0.00 -2.75 -0.10 0.00 1.68 0.00 0.00 54.58 53.41 1tle n ASN 8 Cb 0.00 -0.64 -0.11 0.00 -1.54 0.00 0.00 39.78 37.50 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1tle s ILE 9 N -1.23 0.09 -0.18 2.41 -4.36 -1.26 -0.65 121.20 116.02 1tle s ILE 9 Ca 0.35 -0.78 -0.04 0.00 -0.26 0.00 0.00 60.65 59.92 1tle s ILE 9 Cb 0.16 -0.32 -0.02 0.00 1.25 0.00 0.00 42.46 43.52 1tle s ILE 9 CO -0.11 -0.43 -0.03 -1.81 0.24 0.00 0.00 174.94 172.81 1tle s ASP 10 N -1.37 4.71 0.00 4.36 1.01 -1.26 -4.91 116.67 119.21 1tle s ASP 10 Ca -0.15 -0.20 0.26 0.00 0.71 0.00 0.00 52.55 53.17 1tle s ASP 10 Cb -0.09 -1.79 1.17 0.00 1.01 0.00 0.00 42.92 43.22 1tle s ASP 10 CO 0.00 0.10 1.86 -0.81 0.21 0.00 0.00 175.17 176.52 1tle n PRO 11 N 4.01 0.08 0.00 8.23 -0.04 -1.26 -4.18 135.00 141.84 1tle n PRO 11 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1tle n PRO 11 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1tle n PRO 11 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1tle n ASN 12 N -1.46 0.00 -4.53 3.54 5.15 -1.26 -4.89 115.26 111.81 1tle n ASN 12 Ca 0.08 0.32 -0.28 0.00 -0.60 0.00 0.00 54.58 54.09 1tle n ASN 12 Cb 0.29 -0.29 0.23 0.00 -0.53 0.00 0.00 39.78 39.48 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tle s ALA 13 N -3.38 -0.11 0.21 5.20 0.00 -1.26 -5.03 121.76 117.39 1tle s ALA 13 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1tle s ALA 13 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1tle s ALA 13 CO 0.00 -3.60 0.14 0.08 0.00 0.00 0.00 175.76 172.38 1tle s VAL 14 N -2.63 4.33 0.00 0.00 1.01 -1.26 -4.55 120.40 117.30 1tle s VAL 14 Ca 0.68 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1tle s VAL 14 Cb -0.23 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1tle s VAL 14 CO 0.62 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1tle n GLY 15 N -0.72 2.34 0.47 4.51 0.00 -1.26 -4.89 105.19 105.63 1tle n GLY 15 Ca -0.08 -0.18 0.23 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 0.65 0.00 -3.34 1.61 2.35 -1.82 -3.30 115.58 111.73 1tle h ASN 16 Ca 0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 1tle h ASN 16 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 1tle h ASN 16 CO 0.00 0.00 -0.71 0.00 -1.65 0.00 0.00 177.43 175.07 1tle s ASN 18 N -3.32 6.45 0.36 0.00 0.02 0.52 -4.46 114.94 114.51 1tle s ASN 18 Ca 0.24 0.53 0.05 0.00 -1.02 0.00 0.00 52.86 52.66 1tle s ASN 18 Cb 0.02 -2.19 0.68 0.00 0.02 0.00 0.00 41.25 39.77 1tle s ASN 18 CO 0.07 0.09 1.93 0.03 0.02 0.00 0.00 177.10 179.24 1tle h ARG 19 N 6.69 0.54 0.00 -0.60 3.08 -1.94 0.78 114.38 122.93 1tle h ARG 19 Ca -0.41 -0.09 -0.36 0.00 0.07 0.00 0.00 59.98 59.19 1tle h ARG 19 Cb 1.16 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.06 1tle h ARG 19 CO 0.76 0.50 -2.36 1.47 -1.07 0.00 0.00 179.97 179.27 1tle n LEU 20 N -4.34 2.23 0.05 3.04 -0.00 -1.26 -4.44 117.00 112.27 1tle n LEU 20 Ca 0.02 -0.10 0.13 0.00 -0.00 0.00 0.00 56.01 56.06 1tle n LEU 20 Cb 0.19 -0.52 0.31 0.00 -0.00 0.00 0.00 43.42 43.39 1tle n LEU 20 CO 0.38 0.80 0.57 0.35 -0.00 0.00 0.00 177.39 179.49 1tle n THR 21 N -3.08 0.27 -3.93 1.47 -2.24 -1.24 -4.94 114.28 100.59 1tle n THR 21 Ca -0.40 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 1tle n THR 21 Cb 1.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.39 -0.35 3.42 3.38 0.00 0.27 -4.89 105.19 108.41 1tle n GLY 22 Ca 0.05 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1tle n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tle s GLU 23 N -6.50 1.60 -0.55 1.61 4.04 -1.26 -4.44 118.70 113.20 1tle s GLU 23 Ca 0.31 -1.88 -0.27 0.00 0.04 0.00 0.00 54.97 53.17 1tle s GLU 23 Cb -0.16 -0.69 -0.02 0.00 0.02 0.00 0.00 34.13 33.28 1tle s GLU 23 CO 0.86 -0.23 1.80 0.00 -1.84 0.00 0.00 175.26 175.86 1tle n LEU 25 N 11.95 0.22 -3.17 0.00 0.00 0.66 -4.63 117.00 122.02 1tle n LEU 25 Ca 0.20 0.52 0.03 0.00 0.00 0.00 0.00 56.01 56.76 1tle n LEU 25 Cb 0.51 -0.46 -0.00 0.00 0.00 0.00 0.00 43.42 43.47 1tle n LEU 25 CO 0.70 -0.08 0.10 -0.75 0.00 0.00 0.00 177.39 177.37 1tle s LYS 26 N -3.03 0.67 0.73 1.96 2.20 -1.19 -4.87 119.74 116.20 1tle s LYS 26 Ca 0.12 0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.77 1tle s LYS 26 Cb 0.16 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 1tle s LYS 26 CO 0.53 -1.10 0.79 0.00 -0.36 0.00 0.00 175.35 175.21 1tle n ILE 28 N -2.52 1.46 -0.38 0.00 -5.35 0.17 -4.61 119.36 108.13 1tle n ILE 28 Ca 0.12 0.16 -0.00 0.00 -0.27 0.00 0.00 62.75 62.76 1tle n ILE 28 Cb 0.50 -2.24 -0.00 0.00 -1.74 0.00 0.00 39.64 36.15 1tle n ILE 28 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1tle n TYR 29 N -4.33 0.00 -3.15 4.28 4.01 -1.26 -4.75 117.16 111.96 1tle n TYR 29 Ca -0.13 -0.76 -0.04 0.00 -0.16 0.00 0.00 57.90 56.81 1tle n TYR 29 Cb 0.46 -0.45 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.63 -7.39 -4.08 7.72 3.02 -1.26 -4.61 115.26 110.28 1tle n ASN 30 Ca 0.00 -0.23 -0.16 0.00 -0.03 0.00 0.00 54.58 54.16 1tle n ASN 30 Cb 0.38 -4.99 -0.12 0.00 -0.61 0.00 0.00 39.78 34.44 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 -3.06 0.75 0.00 3.41 -4.23 -1.26 -1.66 115.64 109.60 1tle s THR 31 Ca 0.07 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1tle s THR 31 Cb -0.01 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1tle s THR 31 CO 0.76 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 174.65 1tle n ALA 32 N 1.76 0.00 0.00 3.99 0.00 -0.19 -4.59 120.51 121.48 1tle n ALA 32 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1tle n ALA 32 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1tle n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tle n GLY 33 N 5.00 -1.30 0.47 0.00 0.00 -1.26 0.86 105.19 108.96 1tle n GLY 33 Ca 0.00 -1.40 0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 0.04 -0.93 1.61 3.57 -1.98 -0.91 116.94 118.34 1tle h PHE 34 Ca 0.00 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 61.00 1tle h PHE 34 Cb 0.00 -0.01 -0.42 0.00 2.79 0.00 0.00 35.95 38.31 1tle h PHE 34 CO 0.00 0.01 -0.86 0.66 -2.23 0.00 0.00 178.31 175.88 1tle n TYR 35 N -4.27 2.62 -3.83 0.41 4.01 -1.26 -4.37 117.16 110.47 1tle n TYR 35 Ca 0.20 -2.49 -0.24 0.00 -0.16 0.00 0.00 57.90 55.20 1tle n TYR 35 Cb 0.99 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.77 1tle n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tle n ASP 37 N -2.99 3.26 -2.01 0.00 9.92 0.25 -4.70 116.55 120.28 1tle n ASP 37 Ca -0.24 -1.98 -0.06 0.00 -0.53 0.00 0.00 54.79 51.97 1tle n ASP 37 Cb 0.65 -0.17 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 1tle n ASP 37 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1tle n ARG 38 N 1.41 0.81 -5.03 -1.24 0.63 -0.39 -4.88 116.66 107.97 1tle n ARG 38 Ca 0.18 -0.82 -0.32 0.00 -0.92 0.00 0.00 57.85 55.97 1tle n ARG 38 Cb 0.60 0.46 -0.16 0.00 0.45 0.00 0.00 32.46 33.81 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tle n LYS 40 N 3.46 1.40 -1.82 0.00 4.81 -0.66 -4.49 118.16 120.86 1tle n LYS 40 Ca -0.18 0.52 -0.42 0.00 -0.87 0.00 0.00 58.31 57.35 1tle n LYS 40 Cb 0.53 -2.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.19 1tle n LYS 40 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1tle s GLU 41 N -2.69 4.17 0.00 1.64 -6.30 -1.26 -2.32 118.70 111.94 1tle s GLU 41 Ca 0.71 2.49 0.00 0.00 -2.50 0.00 0.00 54.97 55.67 1tle s GLU 41 Cb -0.44 -3.21 0.00 0.00 0.00 0.00 0.00 34.13 30.48 1tle s GLU 41 CO 0.50 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1tle n GLY 42 N 3.92 2.14 3.10 -1.50 0.00 -1.26 -5.04 105.19 106.55 1tle n GLY 42 Ca 0.15 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.36 1.75 0.45 1.61 0.40 -0.98 -4.64 117.98 116.22 1tle s PHE 43 Ca 0.00 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1tle s PHE 43 Cb 0.00 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.35 1tle s PHE 43 CO 0.00 -0.26 0.28 1.19 0.70 0.00 0.00 175.22 177.13 1tle n PHE 44 N 3.49 -0.42 0.00 0.36 3.72 0.65 -4.23 117.46 121.03 1tle n PHE 44 Ca -0.20 -1.97 0.00 0.00 -0.05 0.00 0.00 57.45 55.22 1tle n PHE 44 Cb 0.52 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.46 0.32 2.92 1.37 0.00 -1.26 0.19 105.19 108.28 1tle n GLY 45 Ca -0.05 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 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 2.22 0.38 1.61 0.02 -0.43 -4.77 114.94 109.96 1tle s ASN 46 Ca 0.00 -0.32 0.26 0.00 -1.02 0.00 0.00 52.86 51.78 1tle s ASN 46 Cb 0.00 -0.87 0.71 0.00 0.02 0.00 0.00 41.25 41.10 1tle s ASN 46 CO 0.00 -0.11 1.73 1.55 0.02 0.00 0.00 177.10 180.29 1tle h PRO 47 N 8.14 0.00 -0.78 -0.60 0.13 -1.83 -3.19 132.00 133.87 1tle h PRO 47 Ca -0.31 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 1tle h PRO 47 Cb 1.13 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 1tle h PRO 47 CO 0.42 0.00 0.08 -0.11 -0.23 0.00 0.00 178.00 178.16 1tle n LEU 48 N -2.78 5.94 -4.89 1.56 7.94 -1.26 -4.81 117.00 118.70 1tle n LEU 48 Ca 0.04 -4.29 -0.31 0.00 -1.11 0.00 0.00 56.01 50.34 1tle n LEU 48 Cb 0.44 -0.68 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 1tle n LEU 48 CO 0.30 1.62 0.18 0.00 -1.11 0.00 0.00 177.39 178.38 1tle s ALA 49 N -3.59 3.63 0.22 1.96 0.00 -1.22 -4.98 121.76 117.77 1tle s ALA 49 Ca 0.55 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.20 1tle s ALA 49 Cb 0.45 -2.33 0.23 0.00 0.00 0.00 0.00 23.12 21.47 1tle s ALA 49 CO 0.02 0.46 1.53 -1.00 0.00 0.00 0.00 175.76 176.77 1tle h PRO 50 N 2.33 0.00 -5.22 0.00 0.13 -1.94 -3.42 132.00 123.87 1tle h PRO 50 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1tle h PRO 50 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1tle h PRO 50 CO 0.69 0.69 -0.52 1.21 -0.23 0.00 0.00 178.00 179.84 1tle s ASN 51 N -6.78 5.99 0.10 1.44 3.84 -1.26 -4.96 114.94 113.32 1tle s ASN 51 Ca -0.00 0.15 0.22 0.00 0.21 0.00 0.00 52.86 53.43 1tle s ASN 51 Cb 0.12 -2.05 0.88 0.00 -0.55 0.00 0.00 41.25 39.65 1tle s ASN 51 CO 0.77 0.15 1.68 -0.81 -2.79 0.00 0.00 177.10 176.10 1tle n PRO 52 N 3.73 0.09 0.21 0.43 -0.04 -1.26 -2.62 135.00 135.54 1tle n PRO 52 Ca -0.16 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1tle n PRO 52 Cb 0.52 -1.65 0.36 0.00 -0.04 0.00 0.00 33.50 32.69 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 2.55 0.95 -0.31 0.55 0.00 -1.97 -2.88 119.26 118.15 1tle h ALA 53 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1tle h ALA 53 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tle h ALA 53 CO 0.00 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 1tle n ASP 54 N -3.27 3.45 -2.55 0.00 9.92 -1.08 -4.92 116.55 118.10 1tle n ASP 54 Ca 0.01 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1tle n ASP 54 Cb 0.49 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.03 2.61 -2.99 -1.24 3.00 -1.09 -2.42 118.16 116.05 1tle n LYS 55 Ca 0.17 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.04 1tle n LYS 55 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.69 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tle n LYS 57 N 5.49 1.12 0.00 0.00 5.02 0.51 -4.41 118.16 125.89 1tle n LYS 57 Ca 0.32 -1.73 0.03 0.00 -2.02 0.00 0.00 58.31 54.91 1tle n LYS 57 Cb 0.44 0.67 0.17 0.00 -0.02 0.00 0.00 35.03 36.29 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88