#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle s PRO 2 N 0.00 0.42 -0.78 2.89 0.04 -1.26 -4.87 135.00 131.45 1tle s PRO 2 Ca 0.00 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.67 1tle s PRO 2 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 1tle s PRO 2 CO 0.00 -2.61 2.22 0.00 0.04 0.00 0.00 177.00 176.65 1tle s GLN 4 N 8.08 1.25 -0.72 0.00 -0.21 -1.26 -4.93 119.66 121.86 1tle s GLN 4 Ca 0.84 -1.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 1tle s GLN 4 Cb -0.11 -2.49 0.18 0.00 1.00 0.00 0.00 33.01 31.59 1tle s GLN 4 CO 0.08 -1.08 0.56 0.00 -2.12 0.00 0.00 175.29 172.73 1tle n ASN 6 N 2.89 0.00 0.00 0.00 3.02 -1.26 -4.19 115.26 115.72 1tle n ASN 6 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1tle n ASN 6 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1tle n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1tle n ASP 7 N 0.00 0.00 -3.10 6.41 8.00 -1.26 -1.96 116.55 124.64 1tle n ASP 7 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1tle n ASP 7 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 2.27 -0.37 -4.07 -2.24 4.13 -1.26 -4.97 115.26 108.75 1tle n ASN 8 Ca 0.00 -2.88 -0.09 0.00 1.68 0.00 0.00 54.58 53.29 1tle n ASN 8 Cb 0.00 -0.11 -0.09 0.00 -1.54 0.00 0.00 39.78 38.04 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 -0.97 0.12 -0.37 2.41 -5.25 -0.83 -0.58 121.20 115.73 1tle s ILE 9 Ca 0.35 -1.70 -0.10 0.00 -0.99 0.00 0.00 60.65 58.21 1tle s ILE 9 Cb 0.21 -1.84 0.03 0.00 2.95 0.00 0.00 42.46 43.81 1tle s ILE 9 CO -0.13 -0.53 0.18 -1.81 -1.79 0.00 0.00 174.94 170.86 1tle s ASP 10 N -2.99 5.62 0.00 4.36 1.01 -1.26 -4.89 116.67 118.52 1tle s ASP 10 Ca 0.18 -1.06 0.26 0.00 0.71 0.00 0.00 52.55 52.64 1tle s ASP 10 Cb 0.06 -1.98 1.33 0.00 1.01 0.00 0.00 42.92 43.34 1tle s ASP 10 CO -0.02 -0.38 1.89 -0.81 0.21 0.00 0.00 175.17 176.07 1tle n PRO 11 N 4.94 0.37 0.00 8.23 -0.04 -1.26 -4.06 135.00 143.18 1tle n PRO 11 Ca -0.12 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tle n PRO 11 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.29 0.00 -4.69 3.54 5.03 -1.26 -4.85 115.26 111.74 1tle n ASN 12 Ca 0.12 0.50 -0.31 0.00 0.87 0.00 0.00 54.58 55.77 1tle n ASN 12 Cb 0.21 -0.46 0.15 0.00 -1.02 0.00 0.00 39.78 38.66 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tle s ALA 13 N -3.06 1.54 0.10 5.41 0.00 -1.26 -5.01 121.76 119.48 1tle s ALA 13 Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1tle s ALA 13 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1tle s ALA 13 CO 0.00 -2.60 0.13 0.08 0.00 0.00 0.00 175.76 173.38 1tle s VAL 14 N -2.70 4.73 0.00 0.00 1.01 -1.26 -4.49 120.40 117.69 1tle s VAL 14 Ca 0.66 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1tle s VAL 14 Cb -0.22 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1tle s VAL 14 CO 0.58 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1tle n GLY 15 N 0.14 0.69 0.00 4.51 0.00 -1.26 -4.95 105.19 104.32 1tle n GLY 15 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.64 1.61 3.02 -1.26 -4.64 115.26 109.34 1tle n ASN 16 Ca 0.00 0.29 -0.31 0.00 -0.03 0.00 0.00 54.58 54.53 1tle n ASN 16 Cb 0.00 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.81 6.68 0.07 0.00 0.01 0.12 -4.71 114.94 113.29 1tle s ASN 18 Ca 0.12 0.81 0.17 0.00 -0.71 0.00 0.00 52.86 53.25 1tle s ASN 18 Cb 0.03 -2.26 0.73 0.00 0.41 0.00 0.00 41.25 40.16 1tle s ASN 18 CO 0.06 0.12 1.55 -2.11 -1.51 0.00 0.00 177.10 175.21 1tle n ARG 19 N 3.07 0.05 -0.12 -0.60 0.00 -1.26 -0.53 116.66 117.27 1tle n ARG 19 Ca -0.10 0.29 -0.25 0.00 -0.00 0.00 0.00 57.85 57.79 1tle n ARG 19 Cb 0.52 -1.60 -0.09 0.00 -0.00 0.00 0.00 32.46 31.29 1tle n ARG 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1tle n LEU 20 N -1.70 2.00 0.05 2.89 -0.00 -1.26 -4.63 117.00 114.36 1tle n LEU 20 Ca 0.03 0.22 0.04 0.00 -0.00 0.00 0.00 56.01 56.30 1tle n LEU 20 Cb 0.19 -0.75 -0.06 0.00 -0.00 0.00 0.00 43.42 42.80 1tle n LEU 20 CO 0.16 0.59 -0.25 0.35 -0.00 0.00 0.00 177.39 178.24 1tle n THR 21 N -3.93 0.96 -2.23 1.47 -2.24 -1.24 -5.01 114.28 102.06 1tle n THR 21 Ca -0.48 -0.64 -0.05 0.00 -2.27 0.00 0.00 64.05 60.61 1tle n THR 21 Cb 0.87 -0.57 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.33 -0.07 3.20 3.38 0.00 0.31 -4.97 105.19 108.37 1tle n GLY 22 Ca -0.07 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.50 0.76 -0.21 1.61 2.56 -1.25 -4.83 118.70 113.83 1tle s GLU 23 Ca 0.17 -0.72 -0.29 0.00 0.00 0.00 0.00 54.97 54.13 1tle s GLU 23 Cb -0.02 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 1tle s GLU 23 CO 0.31 -0.23 1.93 0.00 -0.56 0.00 0.00 175.26 176.72 1tle n LEU 25 N 10.00 3.57 -2.88 0.00 -0.00 -0.54 -4.40 117.00 122.75 1tle n LEU 25 Ca 0.24 -4.16 -0.13 0.00 -0.00 0.00 0.00 56.01 51.96 1tle n LEU 25 Cb 0.45 -0.03 0.02 0.00 -0.00 0.00 0.00 43.42 43.85 1tle n LEU 25 CO 0.67 1.73 0.06 1.17 -0.00 0.00 0.00 177.39 181.02 1tle n LYS 26 N -0.61 0.79 -1.47 1.47 4.81 -1.24 -4.93 118.16 116.99 1tle n LYS 26 Ca 0.29 -2.21 -0.37 0.00 -0.87 0.00 0.00 58.31 55.15 1tle n LYS 26 Cb 0.87 -1.37 0.06 0.00 0.02 0.00 0.00 35.03 34.61 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 -2.06 1.39 -0.79 0.00 -5.35 0.25 -4.66 119.36 108.16 1tle n ILE 28 Ca 0.13 0.15 -0.08 0.00 -0.27 0.00 0.00 62.75 62.67 1tle n ILE 28 Cb 0.48 -2.10 -0.12 0.00 -1.74 0.00 0.00 39.64 36.17 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 -4.17 0.00 -3.63 4.28 4.01 -1.26 -4.74 117.16 111.65 1tle n TYR 29 Ca -0.14 -1.23 -0.26 0.00 -0.16 0.00 0.00 57.90 56.10 1tle n TYR 29 Cb 0.43 -1.23 0.03 0.00 -0.31 0.00 0.00 39.34 38.26 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 2.31 -5.57 -4.39 7.72 4.13 -1.26 -4.56 115.26 113.64 1tle n ASN 30 Ca 0.29 -0.88 -0.22 0.00 1.68 0.00 0.00 54.58 55.45 1tle n ASN 30 Cb 0.73 -3.25 -0.10 0.00 -1.54 0.00 0.00 39.78 35.62 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 -3.30 2.07 0.00 3.41 -4.23 -1.26 -1.76 115.64 110.57 1tle s THR 31 Ca 0.31 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1tle s THR 31 Cb -0.12 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1tle s THR 31 CO 0.86 -0.43 0.00 0.00 -0.54 0.00 0.00 174.62 174.51 1tle n ALA 32 N -0.27 0.00 0.00 3.99 0.00 -0.52 -4.46 120.51 119.25 1tle n ALA 32 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1tle n ALA 32 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.98 0.39 0.00 0.00 -1.26 -0.07 105.19 108.27 1tle n GLY 33 Ca 0.00 -1.43 0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 0.23 -0.65 1.61 3.57 -1.99 -1.30 116.94 118.42 1tle h PHE 34 Ca 0.00 0.01 -0.47 0.00 3.53 0.00 0.00 57.97 61.03 1tle h PHE 34 Cb 0.00 -0.07 -0.37 0.00 2.79 0.00 0.00 35.95 38.30 1tle h PHE 34 CO 0.00 0.09 -0.76 0.66 -2.23 0.00 0.00 178.31 176.06 1tle n TYR 35 N -4.42 2.37 -3.68 0.41 4.01 -1.26 -4.50 117.16 110.09 1tle n TYR 35 Ca 0.13 -2.13 -0.24 0.00 -0.16 0.00 0.00 57.90 55.51 1tle n TYR 35 Cb 0.62 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 39.35 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 -2.97 2.95 -1.07 0.00 9.92 0.90 -4.39 116.55 121.89 1tle n ASP 37 Ca -0.23 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 1tle n ASP 37 Cb 0.65 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 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 0.83 1.16 -5.18 -1.24 0.63 -0.40 -4.86 116.66 107.60 1tle n ARG 38 Ca 0.13 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.76 1tle n ARG 38 Cb 0.45 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.20 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 2.93 1.50 -1.69 0.00 4.81 -0.72 -4.33 118.16 120.66 1tle n LYS 40 Ca -0.17 0.55 -0.43 0.00 -0.87 0.00 0.00 58.31 57.39 1tle n LYS 40 Cb 0.52 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 1tle n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1tle n GLU 41 N -0.51 2.77 0.00 1.64 4.71 -1.26 -1.86 120.64 126.13 1tle n GLU 41 Ca 0.10 1.01 0.00 0.00 -0.01 0.00 0.00 57.16 58.26 1tle n GLU 41 Cb 0.43 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 27.95 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tle n GLY 42 N 4.25 1.09 3.05 0.62 0.00 -1.26 -5.05 105.19 107.89 1tle n GLY 42 Ca 0.18 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.69 1.64 0.50 1.61 0.40 -0.78 -4.42 117.98 116.25 1tle s PHE 43 Ca 0.00 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1tle s PHE 43 Cb 0.00 -1.18 0.02 0.00 0.51 0.00 0.00 43.02 42.37 1tle s PHE 43 CO 0.00 -0.31 0.39 -0.06 0.70 0.00 0.00 175.22 175.94 1tle s PHE 44 N 0.63 1.99 -3.61 0.36 0.08 0.30 -4.15 117.98 113.58 1tle s PHE 44 Ca -0.15 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.18 1tle s PHE 44 Cb -0.16 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1tle s PHE 44 CO 0.04 -0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.22 1tle n GLY 45 N -1.68 0.61 2.66 4.36 0.00 -1.25 -0.79 105.19 109.10 1tle n GLY 45 Ca 0.01 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 3.59 0.00 1.61 0.01 0.03 -4.89 114.94 111.30 1tle s ASN 46 Ca 0.00 -1.33 0.21 0.00 -0.71 0.00 0.00 52.86 51.03 1tle s ASN 46 Cb 0.00 -0.61 1.24 0.00 0.41 0.00 0.00 41.25 42.29 1tle s ASN 46 CO 0.00 -0.40 1.66 -0.81 -1.51 0.00 0.00 177.10 176.03 1tle n PRO 47 N 5.05 0.75 -1.62 -0.60 -0.04 -1.26 -3.15 135.00 134.13 1tle n PRO 47 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 1tle n PRO 47 Cb 0.43 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.79 117.00 121.18 1tle n LEU 48 Ca 0.16 -4.46 -0.25 0.00 -0.01 0.00 0.00 56.01 51.44 1tle n LEU 48 Cb 0.07 -0.66 -0.09 0.00 -0.11 0.00 0.00 43.42 42.63 1tle n LEU 48 CO 0.12 1.75 -0.40 0.00 -1.51 0.00 0.00 177.39 177.35 1tle s ALA 49 N -3.68 2.98 -0.49 -1.18 0.00 -1.19 -5.01 121.76 113.19 1tle s ALA 49 Ca 0.57 -1.57 0.26 0.00 0.00 0.00 0.00 51.96 51.22 1tle s ALA 49 Cb 0.46 -0.68 0.86 0.00 0.00 0.00 0.00 23.12 23.76 1tle s ALA 49 CO 0.02 0.38 1.76 -1.00 0.00 0.00 0.00 175.76 176.92 1tle h PRO 50 N 2.54 0.00 -5.31 0.00 0.13 -1.94 -3.43 132.00 123.99 1tle h PRO 50 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1tle h PRO 50 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1tle h PRO 50 CO 0.56 0.00 -0.41 1.21 -0.23 0.00 0.00 178.00 179.13 1tle s ASN 51 N -4.89 6.28 0.47 1.44 3.84 -1.26 -4.96 114.94 115.87 1tle s ASN 51 Ca 0.07 0.32 0.27 0.00 0.21 0.00 0.00 52.86 53.73 1tle s ASN 51 Cb 0.10 -2.14 0.78 0.00 -0.55 0.00 0.00 41.25 39.44 1tle s ASN 51 CO 0.54 0.10 1.77 1.55 -2.79 0.00 0.00 177.10 178.27 1tle h PRO 52 N 6.93 0.00 -0.23 0.43 0.13 -1.98 -2.92 132.00 134.35 1tle h PRO 52 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1tle h PRO 52 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1tle h PRO 52 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1tle n ALA 53 N -2.07 2.49 0.01 -0.56 0.00 -1.26 -3.72 120.51 115.40 1tle n ALA 53 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1tle n ALA 53 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.47 1.16 0.00 0.00 8.00 -1.10 -4.96 116.55 120.13 1tle n ASP 54 Ca 0.15 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1tle n ASP 54 Cb 0.35 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.04 0.00 -3.86 -1.24 5.02 -1.23 -3.15 118.16 113.66 1tle n LYS 55 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1tle n LYS 55 Cb 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.01 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 -2.17 1.64 0.00 0.00 -0.14 0.03 -4.87 119.74 114.23 1tle s LYS 57 Ca 0.31 -0.84 0.21 0.00 -1.36 0.00 0.00 55.97 54.28 1tle s LYS 57 Cb -0.13 0.60 1.24 0.00 -1.68 0.00 0.00 37.83 37.86 1tle s LYS 57 CO 0.22 -0.74 1.62 0.00 -0.76 0.00 0.00 175.35 175.69