#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 -4.71 135.00 134.55 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 -3.35 0.00 6.02 -1.26 -4.39 117.38 114.40 1tle n GLN 4 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1tle n GLN 4 Cb 0.00 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 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 5.36 -1.15 0.00 0.00 4.13 -1.26 -4.63 115.26 117.71 1tle n ASN 6 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1tle n ASN 6 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.73 0.00 -3.30 6.41 8.00 -1.26 -4.65 116.55 120.03 1tle n ASP 7 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1tle n ASP 7 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1tle n ASN 8 N 0.00 3.78 -4.13 -2.24 5.03 -1.26 -4.99 115.26 111.44 1tle n ASN 8 Ca 0.00 -3.47 -0.09 0.00 0.87 0.00 0.00 54.58 51.89 1tle n ASN 8 Cb 0.00 -0.64 -0.10 0.00 -1.02 0.00 0.00 39.78 38.02 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1tle s ILE 9 N -2.90 0.26 -0.25 2.41 -4.36 -1.26 -0.20 121.20 114.89 1tle s ILE 9 Ca 0.42 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 1tle s ILE 9 Cb 0.18 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 1tle s ILE 9 CO -0.04 -0.77 0.06 -1.81 0.24 0.00 0.00 174.94 172.62 1tle s ASP 10 N -2.99 5.07 0.00 4.36 1.01 -1.26 -4.89 116.67 117.96 1tle s ASP 10 Ca 0.15 -0.28 0.26 0.00 0.71 0.00 0.00 52.55 53.38 1tle s ASP 10 Cb 0.07 -1.91 1.36 0.00 1.01 0.00 0.00 42.92 43.46 1tle s ASP 10 CO -0.04 -0.05 1.87 -0.81 0.21 0.00 0.00 175.17 176.34 1tle n PRO 11 N 4.91 0.49 -0.00 8.23 -0.04 -1.26 -4.03 135.00 143.30 1tle n PRO 11 Ca -0.16 0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 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 -0.91 -0.04 0.00 0.00 175.50 174.55 1tle h ASN 12 N 0.00 -0.01 -3.84 3.54 4.21 -2.07 -3.46 115.58 113.95 1tle h ASN 12 Ca 0.00 0.00 -0.45 0.00 1.21 0.00 0.00 56.30 57.06 1tle h ASN 12 Cb 0.17 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 37.54 1tle h ASN 12 CO 0.00 0.05 0.19 0.00 -1.29 0.00 0.00 177.43 176.38 1tle s ALA 13 N -2.97 0.92 0.33 -0.83 0.00 -1.26 -5.06 121.76 112.89 1tle s ALA 13 Ca -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1tle s ALA 13 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1tle s ALA 13 CO 0.00 -2.94 0.14 0.08 0.00 0.00 0.00 175.76 173.04 1tle s VAL 14 N -3.00 3.09 0.00 0.00 1.01 -1.26 -4.64 120.40 115.60 1tle s VAL 14 Ca 0.66 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1tle s VAL 14 Cb -0.17 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1tle s VAL 14 CO 0.57 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1tle n GLY 15 N -1.14 0.73 0.00 4.51 0.00 -1.26 -4.94 105.19 103.10 1tle n GLY 15 Ca -0.03 0.00 0.03 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 -4.29 1.61 3.02 -1.26 -4.65 115.26 109.68 1tle n ASN 16 Ca 0.00 -0.10 -0.18 0.00 -0.03 0.00 0.00 54.58 54.27 1tle n ASN 16 Cb 0.00 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1tle n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tle s ASN 18 N -3.01 6.95 0.36 0.00 -0.87 -0.40 -4.73 114.94 113.25 1tle s ASN 18 Ca 0.17 2.18 0.05 0.00 -1.57 0.00 0.00 52.86 53.68 1tle s ASN 18 Cb -0.01 -2.58 0.72 0.00 -0.02 0.00 0.00 41.25 39.35 1tle s ASN 18 CO 0.04 -0.56 1.99 0.03 -2.57 0.00 0.00 177.10 176.04 1tle h ARG 19 N 6.76 0.75 0.00 -0.60 3.08 -1.92 -0.34 114.38 122.10 1tle h ARG 19 Ca -0.42 -0.05 -0.38 0.00 0.07 0.00 0.00 59.98 59.21 1tle h ARG 19 Cb 1.21 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 1tle h ARG 19 CO 0.84 0.50 -2.42 1.47 -1.07 0.00 0.00 179.97 179.28 1tle n LEU 20 N -4.46 1.26 0.06 3.04 -0.00 -1.26 -4.54 117.00 111.10 1tle n LEU 20 Ca 0.08 -0.06 -0.14 0.00 -0.00 0.00 0.00 56.01 55.89 1tle n LEU 20 Cb 0.13 -0.10 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 1tle n LEU 20 CO 0.35 0.68 -0.25 0.71 -0.00 0.00 0.00 177.39 178.88 1tle h THR 21 N 0.00 1.24 -3.87 1.47 1.35 -1.96 -3.49 112.91 107.66 1tle h THR 21 Ca -0.56 -2.91 -0.03 0.00 -0.55 0.00 0.00 66.41 62.36 1tle h THR 21 Cb 2.09 2.75 0.02 0.00 -1.73 0.00 0.00 68.15 71.29 1tle h THR 21 CO -0.02 0.81 -0.10 0.61 -0.25 0.00 0.00 175.52 176.57 1tle n GLY 22 N 1.59 -0.37 3.48 5.82 0.00 -0.14 -4.95 105.19 110.62 1tle n GLY 22 Ca -0.13 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.17 1.17 -0.28 1.61 2.56 -1.26 -4.23 118.70 115.11 1tle s GLU 23 Ca 0.06 -0.46 -0.40 0.00 0.00 0.00 0.00 54.97 54.17 1tle s GLU 23 Cb -0.01 0.52 -0.16 0.00 2.00 0.00 0.00 34.13 36.49 1tle s GLU 23 CO 0.27 -0.52 1.75 0.00 -0.56 0.00 0.00 175.26 176.21 1tle n LEU 25 N 5.43 1.58 -2.79 0.00 7.94 -0.62 -4.76 117.00 123.79 1tle n LEU 25 Ca 0.26 -2.03 -0.06 0.00 -1.11 0.00 0.00 56.01 53.07 1tle n LEU 25 Cb 0.13 -0.17 0.01 0.00 0.53 0.00 0.00 43.42 43.92 1tle n LEU 25 CO 0.81 0.48 0.12 0.29 -1.11 0.00 0.00 177.39 177.98 1tle n LYS 26 N -0.74 0.58 -1.17 1.96 5.02 -1.25 -4.91 118.16 117.65 1tle n LYS 26 Ca 0.06 -2.03 -0.34 0.00 -2.02 0.00 0.00 58.31 53.98 1tle n LYS 26 Cb 0.51 -1.47 0.11 0.00 -0.02 0.00 0.00 35.03 34.16 1tle n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tle n ILE 28 N -3.03 0.84 -1.25 0.00 -5.35 0.71 -4.85 119.36 106.44 1tle n ILE 28 Ca 0.13 0.26 -0.39 0.00 -0.27 0.00 0.00 62.75 62.48 1tle n ILE 28 Cb 0.50 -1.66 -0.07 0.00 -1.74 0.00 0.00 39.64 36.67 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 -3.38 1.69 -3.77 4.28 4.01 -1.26 -4.50 117.16 114.23 1tle n TYR 29 Ca -0.04 -1.44 -0.23 0.00 -0.16 0.00 0.00 57.90 56.02 1tle n TYR 29 Cb 0.14 -1.78 -0.04 0.00 -0.31 0.00 0.00 39.34 37.35 1tle n TYR 29 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1tle n ASN 30 N 9.72 -0.25 -4.31 7.72 2.85 -1.26 -4.61 115.26 125.12 1tle n ASN 30 Ca 0.48 -0.84 -0.28 0.00 -0.11 0.00 0.00 54.58 53.82 1tle n ASN 30 Cb 0.42 -1.04 -0.14 0.00 1.24 0.00 0.00 39.78 40.26 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1tle s THR 31 N -3.94 1.94 0.31 -0.44 -4.23 -1.26 -1.67 115.64 106.34 1tle s THR 31 Ca 0.09 -1.34 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1tle s THR 31 Cb -0.05 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 1tle s THR 31 CO 0.65 0.27 -0.04 0.00 -0.54 0.00 0.00 174.62 174.96 1tle s ALA 32 N -0.83 2.53 0.00 3.99 0.00 -0.23 -4.69 121.76 122.53 1tle s ALA 32 Ca 0.10 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1tle s ALA 32 Cb -0.09 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1tle s ALA 32 CO 0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1tle n GLY 33 N -0.68 3.34 0.35 0.00 0.00 -1.26 0.73 105.19 107.67 1tle n GLY 33 Ca -0.05 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.12 1.61 3.04 -1.99 -1.43 116.94 118.09 1tle h PHE 34 Ca 0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1tle h PHE 34 Cb 0.00 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 1tle h PHE 34 CO 0.00 0.02 -0.33 0.66 -2.02 0.00 0.00 178.31 176.64 1tle n TYR 35 N -4.42 0.38 -4.02 0.41 4.02 -1.26 -4.61 117.16 107.66 1tle n TYR 35 Ca 0.07 -1.51 -0.31 0.00 -0.01 0.00 0.00 57.90 56.14 1tle n TYR 35 Cb 0.47 -0.33 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 -2.82 4.16 -3.82 0.00 5.68 -1.11 -4.64 116.55 114.01 1tle n ASP 37 Ca -0.06 -3.10 -0.25 0.00 -0.50 0.00 0.00 54.79 50.89 1tle n ASP 37 Cb 0.56 -0.60 -0.07 0.00 -1.14 0.00 0.00 41.12 39.88 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 -0.35 0.60 -5.18 0.11 3.00 0.22 -4.90 116.66 110.15 1tle n ARG 38 Ca 0.26 -3.35 -0.30 0.00 -0.00 0.00 0.00 57.85 54.46 1tle n ARG 38 Cb 1.01 1.80 -0.16 0.00 0.00 0.00 0.00 32.46 35.10 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tle n LYS 40 N 2.81 2.15 -1.78 0.00 4.81 -0.67 -4.53 118.16 120.96 1tle n LYS 40 Ca -0.17 0.76 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 1tle n LYS 40 Cb 0.52 -2.38 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 1tle n LYS 40 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1tle s GLU 41 N -1.36 4.14 0.00 1.64 -1.05 -1.26 -2.47 118.70 118.34 1tle s GLU 41 Ca 0.60 2.55 0.00 0.00 -0.15 0.00 0.00 54.97 57.97 1tle s GLU 41 Cb -0.59 -3.09 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1tle s GLU 41 CO 0.58 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1tle n GLY 42 N 3.75 1.91 3.00 -3.83 0.00 -1.26 -5.04 105.19 103.72 1tle n GLY 42 Ca 0.15 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.44 1.21 0.58 1.61 0.08 -1.03 -4.60 117.98 115.39 1tle s PHE 43 Ca 0.00 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.73 1tle s PHE 43 Cb 0.00 -0.90 0.07 0.00 -0.57 0.00 0.00 43.02 41.63 1tle s PHE 43 CO 0.00 -0.21 0.60 1.19 -0.10 0.00 0.00 175.22 176.70 1tle n PHE 44 N 3.68 -1.31 0.00 0.36 3.72 0.82 -4.33 117.46 120.40 1tle n PHE 44 Ca -0.22 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 54.89 1tle n PHE 44 Cb 0.52 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.98 0.43 3.11 1.37 0.00 -1.26 0.20 105.19 107.06 1tle n GLY 45 Ca 0.06 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 4.32 0.18 1.61 -0.87 -0.15 -4.84 114.94 111.18 1tle s ASN 46 Ca 0.00 -1.22 0.09 0.00 -1.57 0.00 0.00 52.86 50.16 1tle s ASN 46 Cb 0.00 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.25 39.60 1tle s ASN 46 CO 0.00 -0.17 1.37 1.55 -2.57 0.00 0.00 177.10 177.28 1tle h PRO 47 N 7.85 0.00 -1.27 -0.60 0.13 -1.80 -3.28 132.00 133.03 1tle h PRO 47 Ca -0.24 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.25 1tle h PRO 47 Cb 1.06 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.83 1tle h PRO 47 CO 0.51 0.85 -0.09 -0.11 -0.23 0.00 0.00 178.00 178.92 1tle n LEU 48 N -3.40 5.92 -4.88 1.56 0.00 -1.26 -4.85 117.00 110.08 1tle n LEU 48 Ca 0.00 -4.82 -0.30 0.00 0.00 0.00 0.00 56.01 50.90 1tle n LEU 48 Cb 0.85 -0.64 -0.04 0.00 0.00 0.00 0.00 43.42 43.59 1tle n LEU 48 CO 0.45 1.95 0.34 0.00 0.00 0.00 0.00 177.39 180.13 1tle s ALA 49 N -3.72 3.46 0.25 1.96 0.00 -1.25 -4.97 121.76 117.49 1tle s ALA 49 Ca 0.53 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1tle s ALA 49 Cb 0.43 -2.54 0.28 0.00 0.00 0.00 0.00 23.12 21.28 1tle s ALA 49 CO -0.13 0.14 1.57 -1.00 0.00 0.00 0.00 175.76 176.34 1tle h PRO 50 N 1.57 0.09 -5.70 0.00 0.13 -1.95 -3.43 132.00 122.71 1tle h PRO 50 Ca -0.47 -0.07 -0.67 0.00 -0.87 0.00 0.00 66.00 63.92 1tle h PRO 50 Cb 1.19 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 1tle h PRO 50 CO 0.65 0.71 -0.52 -0.80 -0.23 0.00 0.00 178.00 177.81 1tle s ASN 51 N -6.87 6.05 0.00 1.44 0.01 -1.26 -4.97 114.94 109.35 1tle s ASN 51 Ca -0.02 0.36 0.22 0.00 -0.71 0.00 0.00 52.86 52.72 1tle s ASN 51 Cb 0.12 -1.91 1.34 0.00 0.41 0.00 0.00 41.25 41.21 1tle s ASN 51 CO 0.78 0.39 1.73 -0.81 -1.51 0.00 0.00 177.10 177.68 1tle n PRO 52 N 2.12 0.76 0.06 -0.60 -0.04 -1.26 -2.80 135.00 133.25 1tle n PRO 52 Ca -0.19 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1tle n PRO 52 Cb 0.54 -1.46 0.34 0.00 -0.04 0.00 0.00 33.50 32.88 1tle n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tle n ALA 53 N -0.96 2.64 -1.73 0.55 0.00 -1.26 -3.68 120.51 116.07 1tle n ALA 53 Ca 0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 1tle n ALA 53 Cb 0.08 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.24 1tle n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tle n ASP 54 N -2.02 6.17 -3.48 0.00 8.00 -1.12 -5.01 116.55 119.10 1tle n ASP 54 Ca 0.05 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.78 1tle n ASP 54 Cb 0.41 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1tle n ASP 54 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1tle n LYS 55 N -0.79 1.69 -3.37 -1.24 5.02 -1.24 -1.07 118.16 117.16 1tle n LYS 55 Ca 0.52 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 56.35 1tle n LYS 55 Cb 0.82 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.80 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tle s LYS 57 N 0.20 2.22 0.00 0.00 3.01 0.52 -4.29 119.74 121.40 1tle s LYS 57 Ca 0.17 -2.15 0.27 0.00 -1.01 0.00 0.00 55.97 53.25 1tle s LYS 57 Cb -0.12 -1.84 1.61 0.00 -1.01 0.00 0.00 37.83 36.47 1tle s LYS 57 CO -0.08 -0.43 1.96 0.00 0.51 0.00 0.00 175.35 177.31