#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 0.92 -3.77 5.56 -0.04 -1.26 -4.76 135.00 131.66 1tle n PRO 2 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1tle n PRO 2 Cb 0.00 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.03 0.34 -0.03 0.00 -2.07 -1.26 -4.72 119.66 111.89 1tle s GLN 4 Ca -0.02 0.40 -0.01 0.00 -1.82 0.00 0.00 55.36 53.91 1tle s GLN 4 Cb -0.03 0.16 0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1tle s GLN 4 CO 0.01 -0.04 0.06 0.00 -1.32 0.00 0.00 175.29 173.99 1tle s ASN 6 N 1.18 6.49 0.00 0.00 -0.87 -1.26 -4.75 114.94 115.74 1tle s ASN 6 Ca -0.08 -2.19 0.00 0.00 -1.57 0.00 0.00 52.86 49.02 1tle s ASN 6 Cb -0.13 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 1tle s ASN 6 CO -0.04 -1.53 0.00 0.47 -2.57 0.00 0.00 177.10 173.43 1tle n ASP 7 N 9.48 1.55 -4.23 -1.22 8.00 -1.26 -5.04 116.55 123.82 1tle n ASP 7 Ca 0.46 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 1tle n ASP 7 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 5.17 -4.13 -2.24 5.03 -1.26 -4.93 115.26 112.90 1tle n ASN 8 Ca 0.00 -3.03 -0.10 0.00 0.87 0.00 0.00 54.58 52.32 1tle n ASN 8 Cb 0.00 -1.54 -0.09 0.00 -1.02 0.00 0.00 39.78 37.13 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 1.14 0.06 -0.13 2.41 -5.25 -1.26 -0.63 121.20 117.54 1tle s ILE 9 Ca 0.42 -1.84 -0.05 0.00 -0.99 0.00 0.00 60.65 58.19 1tle s ILE 9 Cb 0.02 -2.16 -0.04 0.00 2.95 0.00 0.00 42.46 43.23 1tle s ILE 9 CO 0.00 -0.27 0.04 -1.81 -1.79 0.00 0.00 174.94 171.11 1tle s ASP 10 N -3.07 5.48 0.33 4.36 1.11 -1.26 -4.87 116.67 118.74 1tle s ASP 10 Ca 0.28 0.14 0.17 0.00 0.18 0.00 0.00 52.55 53.31 1tle s ASP 10 Cb 0.06 -1.76 0.37 0.00 1.07 0.00 0.00 42.92 42.66 1tle s ASP 10 CO 0.05 0.29 1.58 1.55 1.18 0.00 0.00 175.17 179.82 1tle h PRO 11 N 5.84 0.00 0.00 8.23 0.13 -2.00 -3.15 132.00 141.05 1tle h PRO 11 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1tle h PRO 11 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1tle h PRO 11 CO 0.61 0.43 0.00 0.09 -0.23 0.00 0.00 178.00 178.90 1tle n ASN 12 N -3.34 0.10 -2.48 1.44 4.13 -1.26 -4.81 115.26 109.04 1tle n ASN 12 Ca 0.01 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.78 1tle n ASN 12 Cb 0.63 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 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 -1.53 0.00 -3.67 5.41 0.00 -1.19 -4.99 120.51 114.53 1tle n ALA 13 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 1tle n ALA 13 Cb 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.58 4.10 0.00 0.00 1.01 -1.26 -4.71 120.40 118.96 1tle s VAL 14 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 61.98 58.33 1tle s VAL 14 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tle s VAL 14 CO 0.00 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.68 1tle n GLY 15 N 2.62 3.04 2.00 4.51 0.00 -1.26 -4.28 105.19 111.82 1tle n GLY 15 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.89 -4.56 1.61 3.02 -1.26 -4.55 115.26 107.63 1tle n ASN 16 Ca 0.00 0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.52 1tle n ASN 16 Cb 0.00 -1.84 -0.09 0.00 -0.61 0.00 0.00 39.78 37.25 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 -3.75 6.86 0.06 0.00 -0.87 0.10 -4.67 114.94 112.67 1tle s ASN 18 Ca 0.18 1.06 0.06 0.00 -1.57 0.00 0.00 52.86 52.59 1tle s ASN 18 Cb 0.04 -2.42 0.31 0.00 -0.02 0.00 0.00 41.25 39.16 1tle s ASN 18 CO 0.10 -0.37 1.20 -2.11 -2.57 0.00 0.00 177.10 173.35 1tle n ARG 19 N 5.22 0.03 -0.06 -0.60 1.85 -1.26 -0.98 116.66 120.85 1tle n ARG 19 Ca 0.03 0.48 -0.09 0.00 -1.00 0.00 0.00 57.85 57.27 1tle n ARG 19 Cb 0.49 -1.59 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 1tle n ARG 19 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1tle n LEU 20 N -1.65 2.78 -0.01 2.89 -0.00 -1.26 -4.73 117.00 115.01 1tle n LEU 20 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 1tle n LEU 20 Cb 0.04 -0.44 -0.14 0.00 -0.00 0.00 0.00 43.42 42.88 1tle n LEU 20 CO 0.04 0.67 -0.60 0.35 -0.00 0.00 0.00 177.39 177.85 1tle n THR 21 N -2.94 1.67 -1.18 1.47 -2.24 -1.19 -5.03 114.28 104.83 1tle n THR 21 Ca -0.23 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1tle n THR 21 Cb 0.73 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 1.68 -0.09 3.59 3.38 0.00 -0.15 -4.98 105.19 108.62 1tle n GLY 22 Ca -0.21 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1tle n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tle s GLU 23 N -2.61 0.66 -0.31 1.61 8.01 -1.26 -4.85 118.70 119.95 1tle s GLU 23 Ca 0.00 0.39 -0.29 0.00 0.01 0.00 0.00 54.97 55.08 1tle s GLU 23 Cb 0.00 0.32 -0.07 0.00 -4.31 0.00 0.00 34.13 30.07 1tle s GLU 23 CO 0.00 -0.16 2.27 0.00 0.01 0.00 0.00 175.26 177.38 1tle n LEU 25 N 12.33 3.61 -2.99 0.00 -0.00 -0.15 -4.32 117.00 125.48 1tle n LEU 25 Ca 0.34 -4.35 -0.14 0.00 -0.00 0.00 0.00 56.01 51.86 1tle n LEU 25 Cb 0.43 -0.08 0.02 0.00 -0.00 0.00 0.00 43.42 43.79 1tle n LEU 25 CO 0.69 1.83 0.02 1.17 -0.00 0.00 0.00 177.39 181.10 1tle n LYS 26 N -0.52 0.99 -1.59 1.47 3.00 -1.23 -4.90 118.16 115.38 1tle n LYS 26 Ca 0.29 -2.75 -0.38 0.00 -0.00 0.00 0.00 58.31 55.48 1tle n LYS 26 Cb 0.83 -1.41 0.05 0.00 0.00 0.00 0.00 35.03 34.50 1tle n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tle n ILE 28 N -1.80 1.10 -1.25 0.00 -5.35 0.20 -4.79 119.36 107.47 1tle n ILE 28 Ca 0.14 0.26 -0.37 0.00 -0.27 0.00 0.00 62.75 62.51 1tle n ILE 28 Cb 0.48 -1.86 -0.03 0.00 -1.74 0.00 0.00 39.64 36.49 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 -3.72 2.32 -4.00 4.28 4.01 -1.26 -4.64 117.16 114.16 1tle n TYR 29 Ca -0.06 -2.43 -0.40 0.00 -0.16 0.00 0.00 57.90 54.85 1tle n TYR 29 Cb 0.23 -2.09 0.01 0.00 -0.31 0.00 0.00 39.34 37.18 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 5.53 -3.91 -4.33 7.72 5.03 -1.26 -4.77 115.26 119.27 1tle n ASN 30 Ca 0.55 -1.16 -0.20 0.00 0.87 0.00 0.00 54.58 54.64 1tle n ASN 30 Cb 0.30 -1.46 -0.11 0.00 -1.02 0.00 0.00 39.78 37.49 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1tle s THR 31 N -3.49 1.77 0.00 3.41 -4.23 -1.26 -1.51 115.64 110.33 1tle s THR 31 Ca 0.37 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1tle s THR 31 Cb -0.20 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1tle s THR 31 CO 0.89 -0.41 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 1tle n ALA 32 N 0.08 0.00 0.00 3.99 0.00 -0.49 -4.56 120.51 119.53 1tle n ALA 32 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1tle n ALA 32 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 4.25 -0.51 0.41 0.00 0.00 -1.26 -0.87 105.19 107.21 1tle n GLY 33 Ca 0.00 -1.51 0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 0.33 -0.62 1.61 3.04 -1.98 -1.37 116.94 117.95 1tle h PHE 34 Ca 0.00 0.01 -0.45 0.00 3.98 0.00 0.00 57.97 61.51 1tle h PHE 34 Cb 0.00 -0.10 -0.37 0.00 2.56 0.00 0.00 35.95 38.04 1tle h PHE 34 CO 0.00 0.10 -0.80 0.66 -2.02 0.00 0.00 178.31 176.25 1tle n TYR 35 N -4.43 2.27 -2.88 0.41 4.01 -1.26 -4.35 117.16 110.92 1tle n TYR 35 Ca 0.17 -2.10 -0.20 0.00 -0.16 0.00 0.00 57.90 55.60 1tle n TYR 35 Cb 0.72 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.44 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 -2.24 2.49 -3.46 0.00 5.68 -0.17 -4.63 116.55 114.21 1tle n ASP 37 Ca -0.12 -2.17 -0.21 0.00 -0.50 0.00 0.00 54.79 51.78 1tle n ASP 37 Cb 0.61 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.47 0.61 -4.80 0.11 0.63 -0.05 -4.91 116.66 108.72 1tle n ARG 38 Ca 0.13 -2.92 -0.27 0.00 -0.92 0.00 0.00 57.85 53.87 1tle n ARG 38 Cb 0.46 1.65 -0.17 0.00 0.45 0.00 0.00 32.46 34.85 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 3.73 1.84 -1.86 0.00 4.81 -0.57 -4.58 118.16 121.53 1tle n LYS 40 Ca -0.21 0.66 -0.41 0.00 -0.87 0.00 0.00 58.31 57.47 1tle n LYS 40 Cb 0.52 -2.39 -0.02 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 -2.32 4.17 0.00 1.64 -1.05 -1.26 -2.73 118.70 117.15 1tle s GLU 41 Ca 0.63 2.49 0.00 0.00 -0.15 0.00 0.00 54.97 57.94 1tle s GLU 41 Cb -0.49 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.16 1tle s GLU 41 CO 0.56 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1tle n GLY 42 N 1.78 3.21 3.22 -3.83 0.00 -1.26 -5.03 105.19 103.27 1tle n GLY 42 Ca 0.06 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.01 2.47 0.50 1.61 0.08 -1.10 -4.48 117.98 117.04 1tle s PHE 43 Ca 0.00 -0.96 0.06 0.00 0.12 0.00 0.00 56.93 56.15 1tle s PHE 43 Cb 0.00 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1tle s PHE 43 CO 0.00 -0.37 0.37 -0.06 -0.10 0.00 0.00 175.22 175.06 1tle s PHE 44 N 0.27 1.99 -0.21 0.36 0.40 0.47 -4.51 117.98 116.74 1tle s PHE 44 Ca -0.16 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1tle s PHE 44 Cb -0.17 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1tle s PHE 44 CO 0.08 -0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.09 1tle n GLY 45 N -1.65 0.28 2.84 4.36 0.00 -1.25 0.11 105.19 109.87 1tle n GLY 45 Ca -0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 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 1.49 0.00 1.61 0.01 -0.37 -4.81 114.94 108.87 1tle s ASN 46 Ca 0.00 -0.14 0.25 0.00 -0.71 0.00 0.00 52.86 52.27 1tle s ASN 46 Cb 0.00 -0.52 1.17 0.00 0.41 0.00 0.00 41.25 42.31 1tle s ASN 46 CO 0.00 -0.13 1.84 -0.81 -1.51 0.00 0.00 177.10 176.48 1tle n PRO 47 N 4.74 0.15 -1.60 -0.60 -0.04 -1.26 -3.39 135.00 133.00 1tle n PRO 47 Ca -0.14 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.12 1tle n PRO 47 Cb 0.50 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 5.94 -4.92 1.53 7.94 -1.26 -4.82 117.00 120.00 1tle n LEU 48 Ca 0.09 -4.44 -0.30 0.00 -1.11 0.00 0.00 56.01 50.25 1tle n LEU 48 Cb 0.26 -0.63 -0.04 0.00 0.53 0.00 0.00 43.42 43.54 1tle n LEU 48 CO 0.22 1.74 -0.08 0.00 -1.11 0.00 0.00 177.39 178.17 1tle s ALA 49 N -3.64 3.93 0.06 1.96 0.00 -1.22 -4.99 121.76 117.86 1tle s ALA 49 Ca 0.56 -0.78 0.19 0.00 0.00 0.00 0.00 51.96 51.92 1tle s ALA 49 Cb 0.45 -1.93 0.54 0.00 0.00 0.00 0.00 23.12 22.19 1tle s ALA 49 CO 0.02 0.71 1.66 -1.00 0.00 0.00 0.00 175.76 177.15 1tle h PRO 50 N 2.79 0.00 -5.46 0.00 0.13 -1.94 -3.43 132.00 124.09 1tle h PRO 50 Ca -0.46 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 1tle h PRO 50 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1tle h PRO 50 CO 0.73 0.38 -0.50 1.21 -0.23 0.00 0.00 178.00 179.59 1tle s ASN 51 N -6.38 6.14 0.35 1.44 3.04 -1.26 -4.97 114.94 113.30 1tle s ASN 51 Ca 0.01 0.30 0.26 0.00 0.04 0.00 0.00 52.86 53.47 1tle s ASN 51 Cb 0.10 -2.03 0.84 0.00 -1.54 0.00 0.00 41.25 38.62 1tle s ASN 51 CO 0.69 0.28 1.76 1.55 -3.04 0.00 0.00 177.10 178.34 1tle h PRO 52 N 5.93 0.00 0.00 0.43 0.13 -1.99 -2.88 132.00 133.62 1tle h PRO 52 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.67 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.20 1tle n ALA 53 N -1.93 2.61 -0.20 -0.56 0.00 -1.26 -3.41 120.51 115.77 1tle n ALA 53 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1tle n ALA 53 Cb 0.39 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.00 2.61 0.00 0.00 9.92 -1.10 -4.84 116.55 121.14 1tle n ASP 54 Ca 0.05 -2.11 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 1tle n ASP 54 Cb 0.41 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 -0.01 0.00 -3.02 -1.24 4.81 -1.13 -3.47 118.16 114.10 1tle n LYS 55 Ca 0.08 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.08 1tle n LYS 55 Cb 0.40 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.44 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tle s LYS 57 N 1.23 2.18 0.00 0.00 3.01 0.30 -4.38 119.74 122.08 1tle s LYS 57 Ca 0.39 -1.78 0.13 0.00 -1.01 0.00 0.00 55.97 53.70 1tle s LYS 57 Cb -0.04 -1.97 0.80 0.00 -1.01 0.00 0.00 37.83 35.61 1tle s LYS 57 CO -0.03 0.02 1.23 0.00 0.51 0.00 0.00 175.35 177.08