#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 1.52 -1.04 2.89 -0.04 -1.26 -4.93 135.00 132.14 1tle n PRO 2 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1tle n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.82 0.06 0.25 0.00 0.74 -1.26 -4.86 119.66 113.77 1tle s GLN 4 Ca 0.47 0.14 0.09 0.00 0.05 0.00 0.00 55.36 56.11 1tle s GLN 4 Cb -0.46 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.69 1tle s GLN 4 CO 0.53 -0.03 0.05 0.00 -0.55 0.00 0.00 175.29 175.29 1tle s ASN 6 N -3.65 6.65 0.00 0.00 0.02 -1.26 -4.76 114.94 111.93 1tle s ASN 6 Ca 0.31 -1.88 0.00 0.00 -1.02 0.00 0.00 52.86 50.27 1tle s ASN 6 Cb -0.07 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1tle s ASN 6 CO 0.21 -1.36 0.00 -0.90 0.02 0.00 0.00 177.10 175.07 1tle n ASP 7 N 8.66 2.21 -4.38 -1.22 5.68 -1.26 -5.06 116.55 121.19 1tle n ASP 7 Ca 0.40 0.00 -0.45 0.00 -0.50 0.00 0.00 54.79 54.24 1tle n ASP 7 Cb 0.49 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.46 1tle n ASP 7 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1tle s ASN 8 N 2.00 7.10 -0.01 -1.12 0.01 -1.26 -4.97 114.94 116.69 1tle s ASN 8 Ca 0.00 -3.15 -0.14 0.00 -0.71 0.00 0.00 52.86 48.86 1tle s ASN 8 Cb 0.00 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.41 1tle s ASN 8 CO 0.00 -0.52 0.30 0.27 -1.51 0.00 0.00 177.10 175.64 1tle s ILE 9 N 0.02 0.06 -0.19 0.60 -5.25 -1.26 -0.79 121.20 114.39 1tle s ILE 9 Ca 0.31 -0.51 -0.05 0.00 -0.99 0.00 0.00 60.65 59.42 1tle s ILE 9 Cb -0.08 -0.63 -0.03 0.00 2.95 0.00 0.00 42.46 44.68 1tle s ILE 9 CO -0.07 -0.28 -0.00 -1.81 -1.79 0.00 0.00 174.94 171.00 1tle s ASP 10 N -1.39 4.94 0.27 4.36 1.11 -1.26 -4.95 116.67 119.75 1tle s ASP 10 Ca -0.13 -0.14 0.25 0.00 0.18 0.00 0.00 52.55 52.71 1tle s ASP 10 Cb -0.05 -1.83 0.87 0.00 1.07 0.00 0.00 42.92 42.98 1tle s ASP 10 CO 0.04 0.11 1.75 1.55 1.18 0.00 0.00 175.17 179.80 1tle h PRO 11 N 7.16 0.00 0.00 8.23 0.13 -1.98 -3.36 132.00 142.18 1tle h PRO 11 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1tle h PRO 11 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1tle h PRO 11 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1tle n ASN 12 N -2.37 0.00 -3.68 1.44 4.13 -1.26 -4.79 115.26 108.73 1tle n ASN 12 Ca 0.04 0.43 -0.27 0.00 1.68 0.00 0.00 54.58 56.46 1tle n ASN 12 Cb 0.36 -0.43 0.24 0.00 -1.54 0.00 0.00 39.78 38.41 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tle n ALA 13 N -1.78 -3.45 -2.55 5.41 0.00 -1.26 -5.02 120.51 111.86 1tle n ALA 13 Ca 0.00 -1.50 -0.24 0.00 0.00 0.00 0.00 53.44 51.70 1tle n ALA 13 Cb 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.16 2.80 0.00 0.00 1.01 -1.26 -4.69 120.40 116.09 1tle s VAL 14 Ca 0.57 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1tle s VAL 14 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1tle s VAL 14 CO 0.53 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1tle n GLY 15 N -0.94 2.43 0.00 4.51 0.00 -1.26 -4.92 105.19 105.00 1tle n GLY 15 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.98 1.61 4.13 -1.26 -2.71 115.26 113.05 1tle n ASN 16 Ca 0.00 -0.05 -0.15 0.00 1.68 0.00 0.00 54.58 56.06 1tle n ASN 16 Cb 0.00 -0.13 -0.14 0.00 -1.54 0.00 0.00 39.78 37.98 1tle n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tle s ASN 18 N -0.45 7.13 0.59 0.00 0.01 -0.16 -4.73 114.94 117.33 1tle s ASN 18 Ca -0.01 1.69 0.37 0.00 -0.71 0.00 0.00 52.86 54.20 1tle s ASN 18 Cb -0.04 -2.56 1.74 0.00 0.41 0.00 0.00 41.25 40.80 1tle s ASN 18 CO -0.00 -0.53 2.13 0.08 -1.51 0.00 0.00 177.10 177.27 1tle h ARG 19 N 7.31 0.00 0.00 -0.60 -0.00 -1.95 -0.08 114.38 119.06 1tle h ARG 19 Ca -0.32 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.34 1tle h ARG 19 Cb 1.15 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.07 1tle h ARG 19 CO 0.87 0.02 -2.17 1.47 -0.00 0.00 0.00 179.97 180.17 1tle n LEU 20 N -3.15 2.69 0.06 0.08 -0.00 -1.26 -4.69 117.00 110.73 1tle n LEU 20 Ca -0.01 -0.03 -0.22 0.00 -0.00 0.00 0.00 56.01 55.75 1tle n LEU 20 Cb 0.22 -0.70 -0.15 0.00 -0.00 0.00 0.00 43.42 42.80 1tle n LEU 20 CO 0.25 0.76 -0.57 0.71 -0.00 0.00 0.00 177.39 178.55 1tle h THR 21 N -0.16 0.90 -2.27 1.47 1.35 -1.97 -3.49 112.91 108.74 1tle h THR 21 Ca -0.47 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1tle h THR 21 Cb 1.66 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.79 1tle h THR 21 CO -0.12 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1tle n GLY 22 N 1.86 -0.06 3.60 5.82 0.00 -0.05 -4.97 105.19 111.39 1tle n GLY 22 Ca -0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.56 0.36 -0.10 1.61 2.56 -1.26 -4.85 118.70 114.45 1tle s GLU 23 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 54.97 54.44 1tle s GLU 23 Cb 0.00 0.15 -0.16 0.00 2.00 0.00 0.00 34.13 36.13 1tle s GLU 23 CO 0.00 -0.16 1.58 0.00 -0.56 0.00 0.00 175.26 176.13 1tle n LEU 25 N 4.23 0.00 -4.04 0.00 -0.00 -0.41 -4.66 117.00 112.12 1tle n LEU 25 Ca 0.23 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.90 1tle n LEU 25 Cb 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.50 1tle n LEU 25 CO 0.72 0.00 0.12 -0.75 -0.00 0.00 0.00 177.39 177.48 1tle s LYS 26 N -1.79 2.76 0.72 1.96 2.20 -1.10 -4.97 119.74 119.53 1tle s LYS 26 Ca 0.00 -3.01 -0.16 0.00 -0.36 0.00 0.00 55.97 52.44 1tle s LYS 26 Cb 0.00 -3.71 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1tle s LYS 26 CO 0.00 -1.23 0.88 0.00 -0.36 0.00 0.00 175.35 174.64 1tle n ILE 28 N -2.50 0.45 -1.63 0.00 -5.35 0.03 -4.83 119.36 105.52 1tle n ILE 28 Ca 0.12 0.30 -0.34 0.00 -0.27 0.00 0.00 62.75 62.57 1tle n ILE 28 Cb 0.49 -1.57 -0.07 0.00 -1.74 0.00 0.00 39.64 36.75 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 -3.02 2.17 -3.48 4.28 4.01 -1.26 -4.49 117.16 115.37 1tle n TYR 29 Ca -0.03 -1.45 -0.16 0.00 -0.16 0.00 0.00 57.90 56.10 1tle n TYR 29 Cb 0.11 -2.20 -0.03 0.00 -0.31 0.00 0.00 39.34 36.91 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 12.03 -0.08 -4.39 7.72 4.13 -1.26 -4.84 115.26 128.57 1tle n ASN 30 Ca 0.46 -0.61 -0.27 0.00 1.68 0.00 0.00 54.58 55.85 1tle n ASN 30 Cb 0.44 -0.75 -0.12 0.00 -1.54 0.00 0.00 39.78 37.81 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1tle s THR 31 N -3.80 2.20 0.00 3.41 -4.23 -1.26 -1.80 115.64 110.16 1tle s THR 31 Ca 0.05 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1tle s THR 31 Cb -0.03 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1tle s THR 31 CO 0.47 -0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.52 1tle n ALA 32 N 0.67 0.00 0.00 3.99 0.00 -0.41 -4.63 120.51 120.13 1tle n ALA 32 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1tle n ALA 32 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.46 0.32 0.00 0.00 -1.26 -1.66 105.19 105.13 1tle n GLY 33 Ca 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.17 1.61 3.57 -1.98 -1.54 116.94 118.43 1tle h PHE 34 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1tle h PHE 34 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1tle h PHE 34 CO 0.00 0.00 -0.02 0.66 -2.23 0.00 0.00 178.31 176.72 1tle n TYR 35 N -3.65 0.59 -2.31 0.41 4.01 -1.26 -4.67 117.16 110.28 1tle n TYR 35 Ca -0.02 -0.98 -0.19 0.00 -0.16 0.00 0.00 57.90 56.55 1tle n TYR 35 Cb 0.14 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.54 4.52 -3.17 0.00 9.92 -0.84 -4.43 116.55 121.02 1tle n ASP 37 Ca -0.22 -3.24 -0.18 0.00 -0.53 0.00 0.00 54.79 50.62 1tle n ASP 37 Cb 0.67 -0.70 -0.05 0.00 -0.64 0.00 0.00 41.12 40.39 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 -0.27 0.70 -5.19 -1.24 0.63 -0.67 -4.90 116.66 105.72 1tle n ARG 38 Ca 0.37 -2.42 -0.29 0.00 -0.92 0.00 0.00 57.85 54.58 1tle n ARG 38 Cb 1.28 1.30 -0.16 0.00 0.45 0.00 0.00 32.46 35.33 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 2.51 1.86 -1.74 0.00 4.81 -0.75 -4.38 118.16 120.48 1tle n LYS 40 Ca -0.16 0.66 -0.42 0.00 -0.87 0.00 0.00 58.31 57.52 1tle n LYS 40 Cb 0.52 -2.25 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 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 -1.98 4.13 0.00 1.64 2.12 -1.26 -2.12 118.70 121.24 1tle s GLU 41 Ca 0.59 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.51 1tle s GLU 41 Cb -0.56 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1tle s GLU 41 CO 0.60 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1tle n GLY 42 N 4.04 2.49 3.02 -1.50 0.00 -1.26 -5.03 105.19 106.94 1tle n GLY 42 Ca 0.16 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.25 1.47 0.54 1.61 0.40 -0.90 -4.69 117.98 116.17 1tle s PHE 43 Ca 0.00 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1tle s PHE 43 Cb 0.00 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.49 1tle s PHE 43 CO 0.00 -0.29 0.36 1.19 0.70 0.00 0.00 175.22 177.18 1tle n PHE 44 N 3.86 -0.37 0.00 0.36 3.72 0.96 -4.09 117.46 121.90 1tle n PHE 44 Ca -0.22 -2.33 0.00 0.00 -0.05 0.00 0.00 57.45 54.85 1tle n PHE 44 Cb 0.52 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.50 0.48 2.91 1.37 0.00 -1.26 0.81 105.19 108.00 1tle n GLY 45 Ca -0.04 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 4.46 0.00 1.61 0.01 0.18 -4.90 114.94 112.31 1tle s ASN 46 Ca 0.00 -1.92 0.29 0.00 -0.71 0.00 0.00 52.86 50.52 1tle s ASN 46 Cb 0.00 -1.33 1.32 0.00 0.41 0.00 0.00 41.25 41.66 1tle s ASN 46 CO 0.00 -0.39 1.96 -0.81 -1.51 0.00 0.00 177.10 176.35 1tle n PRO 47 N 4.49 0.16 -1.51 -0.60 -0.04 -1.26 -3.57 135.00 132.66 1tle n PRO 47 Ca 0.01 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 1tle n PRO 47 Cb 0.42 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1tle n PRO 47 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1tle n LEU 48 N -1.42 6.02 -4.71 1.53 0.00 -1.26 -4.78 117.00 112.38 1tle n LEU 48 Ca 0.10 -4.35 -0.28 0.00 0.00 0.00 0.00 56.01 51.47 1tle n LEU 48 Cb 0.30 -0.67 -0.07 0.00 0.00 0.00 0.00 43.42 42.98 1tle n LEU 48 CO 0.25 1.66 -0.30 0.00 0.00 0.00 0.00 177.39 179.01 1tle s ALA 49 N -3.62 3.35 0.13 1.96 0.00 -1.23 -5.00 121.76 117.34 1tle s ALA 49 Ca 0.56 -1.21 0.14 0.00 0.00 0.00 0.00 51.96 51.45 1tle s ALA 49 Cb 0.45 -1.19 0.36 0.00 0.00 0.00 0.00 23.12 22.75 1tle s ALA 49 CO 0.02 0.59 1.58 -1.00 0.00 0.00 0.00 175.76 176.95 1tle h PRO 50 N 2.94 0.00 -5.45 0.00 0.13 -1.94 -3.43 132.00 124.26 1tle h PRO 50 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1tle h PRO 50 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1tle h PRO 50 CO 0.60 0.55 -0.51 -0.80 -0.23 0.00 0.00 178.00 177.62 1tle s ASN 51 N -6.58 6.10 0.00 1.44 0.01 -1.26 -4.96 114.94 109.69 1tle s ASN 51 Ca 0.01 0.28 0.24 0.00 -0.71 0.00 0.00 52.86 52.68 1tle s ASN 51 Cb 0.11 -2.02 1.41 0.00 0.41 0.00 0.00 41.25 41.16 1tle s ASN 51 CO 0.74 0.27 1.81 -0.81 -1.51 0.00 0.00 177.10 177.60 1tle n PRO 52 N 2.89 0.69 0.15 -0.60 -0.04 -1.26 -3.06 135.00 133.77 1tle n PRO 52 Ca -0.18 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1tle n PRO 52 Cb 0.53 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 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 3.45 0.91 -0.80 0.55 0.00 -1.96 -2.77 119.26 118.64 1tle h ALA 53 Ca 0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 54.91 53.97 1tle h ALA 53 Cb 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.49 1tle h ALA 53 CO 0.00 0.68 0.41 -0.25 0.00 0.00 0.00 179.25 180.09 1tle n ASP 54 N -3.61 3.94 -1.76 0.00 9.92 -1.17 -4.95 116.55 118.93 1tle n ASP 54 Ca -0.00 -3.70 0.00 0.00 -0.53 0.00 0.00 54.79 50.56 1tle n ASP 54 Cb 0.61 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 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 -1.10 3.13 -3.33 -1.24 4.81 -1.05 -0.64 118.16 118.75 1tle n LYS 55 Ca 0.52 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.49 1tle n LYS 55 Cb 1.33 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 36.34 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 4.48 1.66 0.00 0.00 5.02 0.24 -4.45 118.16 125.11 1tle n LYS 57 Ca 0.03 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.42 1tle n LYS 57 Cb 0.44 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.04 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88