#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 -4.02 2.89 -0.04 -1.26 -4.96 135.00 127.61 1tle n PRO 2 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1tle n PRO 2 Cb 0.00 -0.04 -0.05 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.12 0.42 -3.52 0.00 10.64 -1.26 -4.77 117.38 119.01 1tle n GLN 4 Ca -0.08 -0.74 -0.08 0.00 -1.83 0.00 0.00 57.00 54.28 1tle n GLN 4 Cb 0.52 -3.18 -0.02 0.00 -0.86 0.00 0.00 30.24 26.71 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1tle n ASN 6 N -0.28 0.00 0.00 0.00 4.13 -1.26 -4.98 115.26 112.86 1tle n ASN 6 Ca -0.09 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1tle n ASN 6 Cb 0.62 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 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 -0.07 0.00 -3.36 6.41 8.00 -1.26 -4.43 116.55 121.84 1tle n ASP 7 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1tle n ASP 7 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 4.43 1.24 -3.83 -2.24 4.13 -1.26 -4.93 115.26 112.79 1tle n ASN 8 Ca 0.00 -2.87 -0.12 0.00 1.68 0.00 0.00 54.58 53.27 1tle n ASN 8 Cb 0.00 -0.64 -0.09 0.00 -1.54 0.00 0.00 39.78 37.51 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 -1.30 0.08 -0.04 2.41 -5.25 -1.26 -0.85 121.20 115.00 1tle s ILE 9 Ca 0.35 -0.67 0.01 0.00 -0.99 0.00 0.00 60.65 59.35 1tle s ILE 9 Cb 0.12 -0.57 -0.03 0.00 2.95 0.00 0.00 42.46 44.92 1tle s ILE 9 CO -0.11 -0.37 -0.04 -1.81 -1.79 0.00 0.00 174.94 170.83 1tle s ASP 10 N -1.50 4.86 0.00 4.36 1.01 -1.26 -4.92 116.67 119.22 1tle s ASP 10 Ca -0.13 -0.02 0.25 0.00 0.71 0.00 0.00 52.55 53.37 1tle s ASP 10 Cb -0.06 -1.24 1.13 0.00 1.01 0.00 0.00 42.92 43.76 1tle s ASP 10 CO 0.01 0.32 1.82 -0.81 0.21 0.00 0.00 175.17 176.73 1tle n PRO 11 N 1.83 0.09 -0.04 8.23 -0.04 -1.26 -3.74 135.00 140.07 1tle n PRO 11 Ca -0.17 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 1tle n PRO 11 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.12 -1.03 3.54 -0.00 -2.02 -3.46 115.58 112.73 1tle h ASN 12 Ca 0.00 -0.83 -0.05 0.00 -0.00 0.00 0.00 56.30 55.42 1tle h ASN 12 Cb 0.39 -0.04 0.03 0.00 -0.00 0.00 0.00 38.32 38.70 1tle h ASN 12 CO 0.00 0.94 -0.02 0.00 -0.00 0.00 0.00 177.43 178.34 1tle n ALA 13 N -2.54 -0.72 -3.68 1.57 0.00 -1.25 -4.90 120.51 108.98 1tle n ALA 13 Ca -0.10 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1tle n ALA 13 Cb 0.48 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.97 4.05 0.00 0.00 1.01 -1.26 -4.71 120.40 118.51 1tle s VAL 14 Ca 0.09 -3.65 0.00 0.00 0.00 0.00 0.00 61.98 58.42 1tle s VAL 14 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1tle s VAL 14 CO 0.08 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.77 1tle n GLY 15 N 2.62 2.95 2.21 4.51 0.00 -1.26 -4.69 105.19 111.53 1tle n GLY 15 Ca 0.17 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 0.59 -3.48 -4.41 1.61 3.02 -1.26 -3.01 115.26 108.32 1tle n ASN 16 Ca 0.00 0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.55 1tle n ASN 16 Cb 0.00 -2.87 -0.10 0.00 -0.61 0.00 0.00 39.78 36.19 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 -3.44 6.84 0.54 0.00 0.01 -0.09 -4.64 114.94 114.16 1tle s ASN 18 Ca 0.36 2.01 0.36 0.00 -0.71 0.00 0.00 52.86 54.88 1tle s ASN 18 Cb 0.08 -2.55 1.92 0.00 0.41 0.00 0.00 41.25 41.11 1tle s ASN 18 CO 0.15 -0.77 2.10 -0.09 -1.51 0.00 0.00 177.10 176.97 1tle h ARG 19 N 8.33 0.00 0.00 -0.60 9.65 -1.97 -0.36 114.38 129.43 1tle h ARG 19 Ca -0.35 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.26 1tle h ARG 19 Cb 1.16 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.69 1tle h ARG 19 CO 0.93 0.00 -2.03 1.47 2.80 0.00 0.00 179.97 183.15 1tle n LEU 20 N -2.78 2.76 -0.02 3.80 -0.00 -1.26 -4.74 117.00 114.75 1tle n LEU 20 Ca -0.02 -0.09 -0.22 0.00 -0.00 0.00 0.00 56.01 55.68 1tle n LEU 20 Cb 0.08 -0.56 -0.13 0.00 -0.00 0.00 0.00 43.42 42.80 1tle n LEU 20 CO 0.17 0.77 -0.77 0.35 -0.00 0.00 0.00 177.39 177.91 1tle n THR 21 N -2.99 1.72 -0.59 1.47 -2.24 -1.18 -5.05 114.28 105.42 1tle n THR 21 Ca -0.31 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1tle n THR 21 Cb 0.85 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 1.87 0.24 3.61 3.38 0.00 -0.15 -4.97 105.19 109.17 1tle n GLY 22 Ca -0.33 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.55 0.24 -0.34 1.61 2.56 -1.26 -4.84 118.70 115.13 1tle s GLU 23 Ca 0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 54.97 54.48 1tle s GLU 23 Cb 0.00 0.10 -0.14 0.00 2.00 0.00 0.00 34.13 36.09 1tle s GLU 23 CO 0.00 -0.11 2.00 0.00 -0.56 0.00 0.00 175.26 176.59 1tle n LEU 25 N 7.66 1.84 -2.88 0.00 7.94 -0.75 -4.72 117.00 126.09 1tle n LEU 25 Ca 0.37 -2.05 -0.12 0.00 -1.11 0.00 0.00 56.01 53.10 1tle n LEU 25 Cb 0.15 -0.10 0.03 0.00 0.53 0.00 0.00 43.42 44.03 1tle n LEU 25 CO 0.80 0.50 0.08 0.29 -1.11 0.00 0.00 177.39 177.95 1tle n LYS 26 N -0.66 0.83 -1.57 1.96 5.02 -1.24 -4.89 118.16 117.60 1tle n LYS 26 Ca 0.04 -2.23 -0.38 0.00 -2.02 0.00 0.00 58.31 53.72 1tle n LYS 26 Cb 0.38 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.69 1.03 -1.39 0.00 -5.35 -0.03 -4.79 119.36 107.14 1tle n ILE 28 Ca 0.13 0.25 -0.39 0.00 -0.27 0.00 0.00 62.75 62.48 1tle n ILE 28 Cb 0.47 -1.96 -0.06 0.00 -1.74 0.00 0.00 39.64 36.34 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 -3.76 2.03 -3.81 4.28 4.01 -1.26 -4.57 117.16 114.08 1tle n TYR 29 Ca -0.08 -1.63 -0.17 0.00 -0.16 0.00 0.00 57.90 55.86 1tle n TYR 29 Cb 0.29 -1.94 0.00 0.00 -0.31 0.00 0.00 39.34 37.39 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 9.69 -1.37 -4.37 7.72 4.13 -1.26 -4.66 115.26 125.14 1tle n ASN 30 Ca 0.48 -0.49 -0.26 0.00 1.68 0.00 0.00 54.58 55.99 1tle n ASN 30 Cb 0.42 -0.59 -0.12 0.00 -1.54 0.00 0.00 39.78 37.95 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 -4.37 2.12 0.00 3.41 -4.23 -1.26 -1.69 115.64 109.62 1tle s THR 31 Ca 0.17 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1tle s THR 31 Cb -0.10 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1tle s THR 31 CO 0.37 -0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 1tle n ALA 32 N 0.61 0.00 0.00 3.99 0.00 -0.42 -4.59 120.51 120.09 1tle n ALA 32 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1tle n ALA 32 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.51 0.34 0.00 0.00 -1.26 -1.20 105.19 107.56 1tle n GLY 33 Ca 0.00 -1.52 0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 0.06 -0.38 1.61 3.57 -1.99 -1.17 116.94 118.64 1tle h PHE 34 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.28 1tle h PHE 34 Cb 0.00 -0.02 -0.14 0.00 2.79 0.00 0.00 35.95 38.58 1tle h PHE 34 CO 0.00 0.03 -0.22 0.66 -2.23 0.00 0.00 178.31 176.55 1tle n TYR 35 N -4.44 1.22 -4.07 0.41 4.02 -1.26 -4.47 117.16 108.57 1tle n TYR 35 Ca 0.06 -1.75 -0.33 0.00 -0.01 0.00 0.00 57.90 55.87 1tle n TYR 35 Cb 0.41 -0.48 -0.00 0.00 -0.02 0.00 0.00 39.34 39.25 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 -2.76 3.02 -2.43 0.00 2.03 -0.34 -4.69 116.55 111.37 1tle n ASP 37 Ca 0.02 -1.97 -0.10 0.00 0.52 0.00 0.00 54.79 53.26 1tle n ASP 37 Cb 0.53 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 1tle n ASP 37 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tle n ARG 38 N 1.16 0.81 -5.26 -0.67 5.12 -0.49 -4.86 116.66 112.47 1tle n ARG 38 Ca 0.19 -1.37 -0.31 0.00 -1.93 0.00 0.00 57.85 54.43 1tle n ARG 38 Cb 0.49 0.73 -0.16 0.00 -1.16 0.00 0.00 32.46 32.37 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tle n LYS 40 N 2.70 1.30 -1.83 0.00 4.81 -0.68 -4.46 118.16 119.99 1tle n LYS 40 Ca -0.17 0.48 -0.42 0.00 -0.87 0.00 0.00 58.31 57.33 1tle n LYS 40 Cb 0.52 -2.26 -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 -1.83 1.17 0.00 0.00 177.40 176.74 1tle s GLU 41 N -2.56 4.17 0.00 1.64 -1.05 -1.26 -2.18 118.70 117.46 1tle s GLU 41 Ca 0.70 2.48 0.00 0.00 -0.15 0.00 0.00 54.97 58.00 1tle s GLU 41 Cb -0.46 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1tle s GLU 41 CO 0.51 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 176.43 1tle n GLY 42 N 3.92 2.65 3.02 -3.83 0.00 -1.26 -5.03 105.19 104.66 1tle n GLY 42 Ca 0.15 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.19 1.46 0.22 1.61 0.40 -0.93 -4.59 117.98 115.97 1tle s PHE 43 Ca 0.00 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1tle s PHE 43 Cb 0.00 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1tle s PHE 43 CO 0.00 -0.28 0.11 1.19 0.70 0.00 0.00 175.22 176.95 1tle n PHE 44 N 3.81 -0.63 0.00 0.36 3.72 0.89 -4.02 117.46 121.59 1tle n PHE 44 Ca -0.23 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.20 1tle n PHE 44 Cb 0.52 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 2.37 0.43 2.82 1.37 0.00 -1.26 0.12 105.19 111.04 1tle n GLY 45 Ca -0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 3.94 0.00 1.61 0.01 -0.54 -4.90 114.94 111.07 1tle s ASN 46 Ca 0.00 -1.50 0.20 0.00 -0.71 0.00 0.00 52.86 50.86 1tle s ASN 46 Cb 0.00 -1.01 1.01 0.00 0.41 0.00 0.00 41.25 41.66 1tle s ASN 46 CO 0.00 -0.35 1.64 -0.81 -1.51 0.00 0.00 177.10 176.06 1tle n PRO 47 N 4.75 0.27 -1.57 -0.60 -0.04 -1.26 -2.81 135.00 133.73 1tle n PRO 47 Ca -0.04 0.10 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1tle n PRO 47 Cb 0.43 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.30 6.13 -4.93 1.53 7.99 -1.26 -4.82 117.00 120.35 1tle n LEU 48 Ca 0.09 -4.41 -0.26 0.00 -0.01 0.00 0.00 56.01 51.42 1tle n LEU 48 Cb 0.17 -0.67 -0.02 0.00 -0.11 0.00 0.00 43.42 42.79 1tle n LEU 48 CO 0.16 1.71 0.19 0.00 -1.51 0.00 0.00 177.39 177.94 1tle s ALA 49 N -3.66 3.66 -0.53 -1.18 0.00 -1.13 -4.98 121.76 113.95 1tle s ALA 49 Ca 0.57 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 52.01 1tle s ALA 49 Cb 0.46 -2.19 0.88 0.00 0.00 0.00 0.00 23.12 22.26 1tle s ALA 49 CO 0.02 0.06 1.76 -1.00 0.00 0.00 0.00 175.76 176.59 1tle h PRO 50 N 1.06 0.00 -5.48 0.00 0.13 -1.95 -3.43 132.00 122.33 1tle h PRO 50 Ca -0.49 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.00 1tle h PRO 50 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1tle h PRO 50 CO 0.63 0.00 -0.49 -0.80 -0.23 0.00 0.00 178.00 177.11 1tle s ASN 51 N -4.71 6.23 0.46 1.44 -0.87 -1.26 -4.97 114.94 111.25 1tle s ASN 51 Ca 0.07 0.34 0.28 0.00 -1.57 0.00 0.00 52.86 51.97 1tle s ASN 51 Cb 0.10 -2.05 0.85 0.00 -0.02 0.00 0.00 41.25 40.13 1tle s ASN 51 CO 0.52 0.30 1.79 1.55 -2.57 0.00 0.00 177.10 178.69 1tle h PRO 52 N 5.79 0.00 -0.02 -0.60 0.13 -2.00 -3.04 132.00 132.26 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 0.66 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.36 1tle n ALA 53 N -2.05 2.63 0.61 -0.56 0.00 -1.26 -4.29 120.51 115.59 1tle n ALA 53 Ca 0.03 -0.62 0.07 0.00 0.00 0.00 0.00 53.44 52.92 1tle n ALA 53 Cb 0.41 -0.59 0.02 0.00 0.00 0.00 0.00 19.45 19.28 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 0.76 1.67 0.00 0.00 9.92 -1.16 -4.87 116.55 122.87 1tle n ASP 54 Ca 0.10 -1.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 1tle n ASP 54 Cb 0.42 0.34 0.00 0.00 -0.64 0.00 0.00 41.12 41.24 1tle n ASP 54 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1tle n LYS 55 N 0.10 0.00 -1.53 -1.24 5.02 -1.16 -4.36 118.16 114.98 1tle n LYS 55 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1tle n LYS 55 Cb 0.31 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.53 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tle n LYS 57 N -4.20 0.00 0.00 0.00 4.76 0.33 -4.86 118.16 114.19 1tle n LYS 57 Ca 0.14 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.63 1tle n LYS 57 Cb 0.59 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 34.09 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03