#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 0.00 5.56 -0.04 -1.26 -4.66 135.00 134.60 1tle n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1tle n PRO 2 Cb 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.00 0.00 0.00 0.00 7.27 -1.26 -3.41 117.38 119.98 1tle n GLN 4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1tle n GLN 4 Cb 0.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tle n ASN 6 N 0.00 -2.55 -3.93 0.00 4.13 -1.26 -4.78 115.26 106.87 1tle n ASN 6 Ca 0.00 -0.33 -0.43 0.00 1.68 0.00 0.00 54.58 55.50 1tle n ASN 6 Cb 0.00 -0.50 0.01 0.00 -1.54 0.00 0.00 39.78 37.74 1tle n ASN 6 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1tle n ASP 7 N -2.17 5.41 -3.08 6.41 9.92 -1.26 -4.71 116.55 127.08 1tle n ASP 7 Ca 0.05 -3.18 -0.17 0.00 -0.53 0.00 0.00 54.79 50.96 1tle n ASP 7 Cb 0.23 -1.43 -0.02 0.00 -0.64 0.00 0.00 41.12 39.26 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1tle n ASN 8 N 3.33 -0.18 -3.75 -2.24 3.02 -1.26 -4.93 115.26 109.25 1tle n ASN 8 Ca 0.36 -3.06 -0.13 0.00 -0.03 0.00 0.00 54.58 51.72 1tle n ASN 8 Cb 0.36 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1tle s ILE 9 N -1.39 0.06 -0.24 2.41 -4.36 -1.26 -1.06 121.20 115.36 1tle s ILE 9 Ca 0.35 -0.47 -0.06 0.00 -0.26 0.00 0.00 60.65 60.21 1tle s ILE 9 Cb 0.28 -0.65 -0.02 0.00 1.25 0.00 0.00 42.46 43.32 1tle s ILE 9 CO -0.10 -0.26 0.03 -1.81 0.24 0.00 0.00 174.94 173.04 1tle s ASP 10 N -1.37 4.81 0.00 4.36 1.01 -1.26 -4.94 116.67 119.28 1tle s ASP 10 Ca -0.13 -0.28 0.22 0.00 0.71 0.00 0.00 52.55 53.08 1tle s ASP 10 Cb -0.05 -1.85 1.20 0.00 1.01 0.00 0.00 42.92 43.24 1tle s ASP 10 CO 0.04 -0.03 1.73 -0.81 0.21 0.00 0.00 175.17 176.31 1tle n PRO 11 N 4.86 0.45 0.00 8.23 -0.04 -1.26 -3.87 135.00 143.38 1tle n PRO 11 Ca -0.17 0.05 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1tle n PRO 11 Cb 0.51 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1tle n PRO 11 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1tle h ASN 12 N 0.00 -0.02 -3.05 3.54 -1.24 -2.06 -3.46 115.58 109.28 1tle h ASN 12 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.63 1tle h ASN 12 Cb 0.14 0.01 0.22 0.00 0.73 0.00 0.00 38.32 39.41 1tle h ASN 12 CO 0.00 0.09 -0.12 0.00 -1.29 0.00 0.00 177.43 176.11 1tle s ALA 13 N -2.96 -0.70 0.10 1.57 0.00 -1.25 -5.03 121.76 113.49 1tle s ALA 13 Ca -0.00 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1tle s ALA 13 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1tle s ALA 13 CO 0.01 -4.62 -0.18 0.08 0.00 0.00 0.00 175.76 171.06 1tle s VAL 14 N -2.29 2.86 0.00 0.00 1.01 -1.26 -4.63 120.40 116.09 1tle s VAL 14 Ca 0.69 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1tle s VAL 14 Cb -0.12 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1tle s VAL 14 CO 0.57 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1tle n GLY 15 N 0.90 1.33 0.63 4.51 0.00 -1.26 -4.94 105.19 106.35 1tle n GLY 15 Ca -0.16 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.32 1tle n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tle n ASN 16 N 0.00 0.00 -4.36 1.61 5.03 -1.26 -4.24 115.26 112.03 1tle n ASN 16 Ca 0.00 0.88 -0.22 0.00 0.87 0.00 0.00 54.58 56.10 1tle n ASN 16 Cb 0.00 -0.42 -0.11 0.00 -1.02 0.00 0.00 39.78 38.23 1tle n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tle s ASN 18 N -2.83 7.01 0.52 0.00 -0.87 0.02 -4.65 114.94 114.13 1tle s ASN 18 Ca 0.19 1.23 0.35 0.00 -1.57 0.00 0.00 52.86 53.06 1tle s ASN 18 Cb -0.05 -2.52 1.77 0.00 -0.02 0.00 0.00 41.25 40.42 1tle s ASN 18 CO 0.08 -0.68 2.06 0.03 -2.57 0.00 0.00 177.10 176.02 1tle h ARG 19 N 7.63 0.00 0.00 -0.60 3.08 -1.91 0.10 114.38 122.68 1tle h ARG 19 Ca -0.20 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.57 1tle h ARG 19 Cb 1.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 1tle h ARG 19 CO 0.97 0.00 -2.05 1.47 -1.07 0.00 0.00 179.97 179.29 1tle n LEU 20 N -2.81 2.89 -0.02 3.04 -0.00 -1.26 -4.71 117.00 114.13 1tle n LEU 20 Ca -0.01 -0.08 -0.13 0.00 -0.00 0.00 0.00 56.01 55.79 1tle n LEU 20 Cb 0.13 -0.64 -0.14 0.00 -0.00 0.00 0.00 43.42 42.78 1tle n LEU 20 CO 0.19 0.79 -0.69 0.35 -0.00 0.00 0.00 177.39 178.03 1tle n THR 21 N -3.09 1.64 -1.30 1.47 -2.24 -1.21 -5.04 114.28 104.52 1tle n THR 21 Ca -0.33 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1tle n THR 21 Cb 0.84 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 1.74 -0.16 3.74 3.38 0.00 0.02 -4.88 105.19 109.03 1tle n GLY 22 Ca -0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.82 1.40 -0.35 1.61 2.56 -1.26 -1.62 118.70 118.22 1tle s GLU 23 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 54.97 53.96 1tle s GLU 23 Cb 0.00 0.50 -0.04 0.00 2.00 0.00 0.00 34.13 36.60 1tle s GLU 23 CO 0.00 -0.64 2.04 0.00 -0.56 0.00 0.00 175.26 176.10 1tle n LEU 25 N 11.95 4.37 -2.73 0.00 0.00 -0.25 -4.64 117.00 125.70 1tle n LEU 25 Ca 0.27 -2.20 -0.07 0.00 0.00 0.00 0.00 56.01 54.01 1tle n LEU 25 Cb 0.48 -0.55 0.05 0.00 0.00 0.00 0.00 43.42 43.40 1tle n LEU 25 CO 0.68 0.74 0.31 1.17 0.00 0.00 0.00 177.39 180.30 1tle n LYS 26 N 1.02 0.57 -1.62 1.96 4.81 -1.24 -4.89 118.16 118.77 1tle n LYS 26 Ca 0.23 -1.44 -0.38 0.00 -0.87 0.00 0.00 58.31 55.85 1tle n LYS 26 Cb 0.82 -1.09 0.05 0.00 0.02 0.00 0.00 35.03 34.83 1tle n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tle n ILE 28 N -1.51 0.98 -1.51 0.00 -5.35 -0.22 -4.78 119.36 106.96 1tle n ILE 28 Ca 0.13 0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.74 1tle n ILE 28 Cb 0.46 -1.90 -0.10 0.00 -1.74 0.00 0.00 39.64 36.36 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 -3.67 0.84 -2.60 4.28 4.01 -1.26 -4.18 117.16 114.58 1tle n TYR 29 Ca -0.07 -0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.55 1tle n TYR 29 Cb 0.26 -2.32 -0.01 0.00 -0.31 0.00 0.00 39.34 36.96 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 17.64 0.06 -4.38 7.72 3.02 -1.26 -4.73 115.26 133.33 1tle n ASN 30 Ca 0.39 -0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.63 1tle n ASN 30 Cb 0.45 -0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.41 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 -3.07 2.06 0.00 3.41 -4.23 -1.26 -1.43 115.64 111.13 1tle s THR 31 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1tle s THR 31 Cb -0.00 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1tle s THR 31 CO 0.06 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 1tle n ALA 32 N 0.21 0.00 0.00 3.99 0.00 -0.62 -4.06 120.51 120.03 1tle n ALA 32 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tle n ALA 32 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 3.75 -2.06 0.47 0.00 0.00 -1.26 -1.22 105.19 104.87 1tle n GLY 33 Ca 0.00 -1.32 0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -0.82 1.61 3.04 -1.98 -0.92 116.94 117.87 1tle h PHE 34 Ca 0.00 0.00 -0.53 0.00 3.98 0.00 0.00 57.97 61.42 1tle h PHE 34 Cb 0.00 -0.00 -0.43 0.00 2.56 0.00 0.00 35.95 38.08 1tle h PHE 34 CO 0.00 0.00 -0.84 0.66 -2.02 0.00 0.00 178.31 176.11 1tle n TYR 35 N -4.27 2.68 -2.42 0.41 4.01 -1.26 -4.40 117.16 111.91 1tle n TYR 35 Ca 0.19 -2.33 -0.11 0.00 -0.16 0.00 0.00 57.90 55.49 1tle n TYR 35 Cb 0.97 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.74 2.15 -1.10 0.00 5.68 -0.53 -4.63 116.55 116.38 1tle n ASP 37 Ca -0.13 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1tle n ASP 37 Cb 0.59 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1tle n ASP 37 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1tle n ARG 38 N 0.60 1.20 -4.97 0.11 0.63 -0.36 -4.91 116.66 108.96 1tle n ARG 38 Ca 0.13 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.75 1tle n ARG 38 Cb 0.35 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.09 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 3.71 1.84 -1.70 0.00 4.81 -0.51 -4.26 118.16 122.05 1tle n LYS 40 Ca -0.20 0.66 -0.42 0.00 -0.87 0.00 0.00 58.31 57.48 1tle n LYS 40 Cb 0.52 -2.39 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 1tle n LYS 40 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1tle n GLU 41 N -0.15 2.78 0.00 1.64 4.07 -1.26 -2.00 120.64 125.72 1tle n GLU 41 Ca 0.07 1.01 0.00 0.00 -0.06 0.00 0.00 57.16 58.18 1tle n GLU 41 Cb 0.41 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 28.89 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tle n GLY 42 N 4.17 1.02 2.88 8.31 0.00 -1.26 -5.05 105.19 115.26 1tle n GLY 42 Ca 0.18 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.71 0.77 0.54 1.61 0.40 -0.85 -4.55 117.98 115.19 1tle s PHE 43 Ca 0.00 -0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.16 1tle s PHE 43 Cb 0.00 -0.70 0.06 0.00 0.51 0.00 0.00 43.02 42.88 1tle s PHE 43 CO 0.00 -0.21 0.46 1.19 0.70 0.00 0.00 175.22 177.35 1tle n PHE 44 N 4.17 -0.89 0.00 0.36 3.72 0.11 -4.07 117.46 120.86 1tle n PHE 44 Ca -0.23 -2.22 0.00 0.00 -0.05 0.00 0.00 57.45 54.96 1tle n PHE 44 Cb 0.51 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.48 0.41 2.84 1.37 0.00 -1.26 0.11 105.19 107.18 1tle n GLY 45 Ca 0.01 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 3.89 0.00 1.61 0.01 -0.49 -4.84 114.94 111.12 1tle s ASN 46 Ca 0.00 -1.42 0.30 0.00 -0.71 0.00 0.00 52.86 51.03 1tle s ASN 46 Cb 0.00 -1.04 1.56 0.00 0.41 0.00 0.00 41.25 42.18 1tle s ASN 46 CO 0.00 -0.33 2.07 -0.81 -1.51 0.00 0.00 177.10 176.52 1tle n PRO 47 N 4.74 0.53 -1.56 -0.60 -0.04 -1.26 -3.53 135.00 133.28 1tle n PRO 47 Ca -0.06 -0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.12 1tle n PRO 47 Cb 0.44 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.22 6.07 -4.83 1.53 4.77 -1.26 -4.92 117.00 117.14 1tle n LEU 48 Ca 0.16 -4.41 -0.25 0.00 -0.03 0.00 0.00 56.01 51.48 1tle n LEU 48 Cb 0.23 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1tle n LEU 48 CO 0.22 1.71 -0.18 0.00 -1.33 0.00 0.00 177.39 177.81 1tle s ALA 49 N -3.65 3.64 0.01 -1.18 0.00 -1.23 -5.00 121.76 114.35 1tle s ALA 49 Ca 0.56 -1.23 0.21 0.00 0.00 0.00 0.00 51.96 51.50 1tle s ALA 49 Cb 0.45 -1.42 0.61 0.00 0.00 0.00 0.00 23.12 22.76 1tle s ALA 49 CO 0.02 0.44 1.69 -1.00 0.00 0.00 0.00 175.76 176.91 1tle h PRO 50 N 2.13 0.00 -5.51 0.00 0.13 -1.94 -3.43 132.00 123.38 1tle h PRO 50 Ca -0.48 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.01 1tle h PRO 50 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1tle h PRO 50 CO 0.63 0.30 -0.51 1.21 -0.23 0.00 0.00 178.00 179.40 1tle s ASN 51 N -6.28 6.12 0.44 1.44 3.84 -1.26 -4.97 114.94 114.25 1tle s ASN 51 Ca 0.02 0.31 0.27 0.00 0.21 0.00 0.00 52.86 53.67 1tle s ASN 51 Cb 0.09 -2.00 0.80 0.00 -0.55 0.00 0.00 41.25 39.59 1tle s ASN 51 CO 0.67 0.30 1.77 1.55 -2.79 0.00 0.00 177.10 178.61 1tle h PRO 52 N 5.75 0.00 0.00 0.43 0.13 -1.98 -2.99 132.00 133.34 1tle h PRO 52 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1tle h PRO 52 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1tle h PRO 52 CO 0.65 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1tle h ALA 53 N 2.08 1.00 -0.54 -0.56 0.00 -1.97 -2.75 119.26 116.52 1tle h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tle h ALA 53 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1tle h ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1tle n ASP 54 N -2.72 3.77 0.00 0.00 8.00 -1.13 -4.94 116.55 119.53 1tle n ASP 54 Ca 0.03 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1tle n ASP 54 Cb 0.38 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1tle n ASP 54 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1tle n LYS 55 N 0.94 3.07 -3.36 -1.24 3.00 -1.04 -2.81 118.16 116.73 1tle n LYS 55 Ca 0.20 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 58.06 1tle n LYS 55 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.60 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 5.27 1.22 0.00 0.00 5.02 0.29 -4.48 118.16 125.48 1tle n LYS 57 Ca -0.12 -1.01 0.13 0.00 -2.02 0.00 0.00 58.31 55.28 1tle n LYS 57 Cb 0.43 0.10 0.34 0.00 -0.02 0.00 0.00 35.03 35.88 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88