#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 3.38 -0.73 -0.14 0.04 -1.26 -4.94 135.00 131.36 1tle s PRO 2 Ca 0.00 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 1tle s PRO 2 Cb 0.00 -4.08 0.03 0.00 0.04 0.00 0.00 34.50 30.49 1tle s PRO 2 CO 0.00 -1.86 1.27 0.00 0.04 0.00 0.00 177.00 176.45 1tle n GLN 4 N 9.30 1.79 -3.63 0.00 7.27 -1.26 -4.87 117.38 125.97 1tle n GLN 4 Ca 0.03 0.57 -0.03 0.00 0.07 0.00 0.00 57.00 57.65 1tle n GLN 4 Cb 0.49 -2.75 -0.03 0.00 2.41 0.00 0.00 30.24 30.36 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tle n ASN 6 N 0.28 0.00 0.00 0.00 3.02 -1.26 -5.02 115.26 112.28 1tle n ASN 6 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1tle n ASN 6 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 -4.00 6.41 8.00 -1.26 -4.32 116.55 121.38 1tle n ASP 7 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1tle n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 4.82 5.11 -3.90 -2.24 3.02 -1.26 -4.91 115.26 115.89 1tle n ASN 8 Ca 0.00 -3.08 -0.11 0.00 -0.03 0.00 0.00 54.58 51.36 1tle n ASN 8 Cb 0.00 -1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 37.56 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1tle s ILE 9 N 0.68 0.08 0.19 2.41 -5.25 -1.26 -0.81 121.20 117.23 1tle s ILE 9 Ca 0.40 -0.68 0.09 0.00 -0.99 0.00 0.00 60.65 59.47 1tle s ILE 9 Cb 0.07 -0.34 -0.04 0.00 2.95 0.00 0.00 42.46 45.10 1tle s ILE 9 CO 0.00 -0.37 -0.10 -1.81 -1.79 0.00 0.00 174.94 170.87 1tle s ASP 10 N -1.24 4.19 0.45 4.36 1.01 -1.26 -4.94 116.67 119.24 1tle s ASP 10 Ca -0.13 -0.62 0.25 0.00 0.71 0.00 0.00 52.55 52.76 1tle s ASP 10 Cb -0.08 -0.68 0.59 0.00 1.01 0.00 0.00 42.92 43.77 1tle s ASP 10 CO 0.01 0.10 1.70 1.55 0.21 0.00 0.00 175.17 178.73 1tle h PRO 11 N 2.85 0.00 0.03 8.23 0.13 -2.00 -3.28 132.00 137.96 1tle h PRO 11 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1tle h PRO 11 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1tle h PRO 11 CO 0.54 0.00 -0.99 -0.91 -0.23 0.00 0.00 178.00 176.41 1tle h ASN 12 N 0.00 0.27 -0.70 1.44 4.21 -2.01 -3.46 115.58 115.33 1tle h ASN 12 Ca 0.00 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1tle h ASN 12 Cb 0.87 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 1tle h ASN 12 CO 0.00 1.10 0.00 0.00 -1.29 0.00 0.00 177.43 177.24 1tle n ALA 13 N -2.46 0.00 -3.42 -0.83 0.00 -1.24 -4.85 120.51 107.70 1tle n ALA 13 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1tle n ALA 13 Cb 0.88 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 1tle n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tle n VAL 14 N -2.64 4.08 0.00 0.00 0.31 -1.26 -4.64 118.33 114.17 1tle n VAL 14 Ca 0.00 -5.33 0.00 0.00 -0.01 0.00 0.00 64.34 59.00 1tle n VAL 14 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 1tle n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tle n GLY 15 N 2.45 2.49 3.60 2.92 0.00 -1.26 -4.43 105.19 110.95 1tle n GLY 15 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.85 -0.99 -4.52 1.61 3.02 -1.26 -4.71 115.26 109.26 1tle n ASN 16 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1tle n ASN 16 Cb 0.00 -2.11 -0.07 0.00 -0.61 0.00 0.00 39.78 36.98 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 -3.80 6.68 0.46 0.00 -0.87 0.07 -4.70 114.94 112.77 1tle s ASN 18 Ca 0.09 0.81 0.24 0.00 -1.57 0.00 0.00 52.86 52.42 1tle s ASN 18 Cb 0.01 -2.27 1.07 0.00 -0.02 0.00 0.00 41.25 40.03 1tle s ASN 18 CO 0.06 0.04 1.90 -0.09 -2.57 0.00 0.00 177.10 176.45 1tle h ARG 19 N 6.49 0.00 0.03 -0.60 2.43 -1.97 0.11 114.38 120.87 1tle h ARG 19 Ca -0.42 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.38 1tle h ARG 19 Cb 1.18 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1tle h ARG 19 CO 0.74 0.22 -2.26 1.47 -1.51 0.00 0.00 179.97 178.63 1tle n LEU 20 N -3.54 1.97 0.00 3.80 -0.00 -1.26 -4.57 117.00 113.40 1tle n LEU 20 Ca -0.01 0.04 -0.20 0.00 -0.00 0.00 0.00 56.01 55.84 1tle n LEU 20 Cb 0.37 -0.51 -0.14 0.00 -0.00 0.00 0.00 43.42 43.14 1tle n LEU 20 CO 0.33 0.76 -0.80 0.35 -0.00 0.00 0.00 177.39 178.03 1tle n THR 21 N -3.17 1.76 -1.30 1.47 -2.24 -1.23 -5.04 114.28 104.54 1tle n THR 21 Ca -0.36 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1tle n THR 21 Cb 1.05 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 1.96 -0.17 3.56 3.38 0.00 0.37 -4.97 105.19 109.33 1tle n GLY 22 Ca -0.31 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.73 0.52 -0.22 1.61 2.56 -1.26 -4.85 118.70 114.33 1tle s GLU 23 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 54.97 54.57 1tle s GLU 23 Cb 0.00 0.24 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 1tle s GLU 23 CO 0.00 -0.21 2.03 0.00 -0.56 0.00 0.00 175.26 176.52 1tle n LEU 25 N 10.60 3.35 -2.97 0.00 -0.00 -0.47 -4.53 117.00 122.98 1tle n LEU 25 Ca 0.26 -3.93 -0.16 0.00 -0.00 0.00 0.00 56.01 52.19 1tle n LEU 25 Cb 0.45 0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1tle n LEU 25 CO 0.67 1.59 -0.03 1.17 -0.00 0.00 0.00 177.39 180.79 1tle n LYS 26 N -0.65 0.80 -1.61 1.47 4.81 -1.24 -4.93 118.16 116.81 1tle n LYS 26 Ca 0.27 -2.53 -0.39 0.00 -0.87 0.00 0.00 58.31 54.79 1tle n LYS 26 Cb 0.89 -1.35 0.03 0.00 0.02 0.00 0.00 35.03 34.63 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 -1.15 1.19 -1.30 0.00 -5.35 0.01 -4.73 119.36 108.02 1tle n ILE 28 Ca 0.11 0.23 -0.37 0.00 -0.27 0.00 0.00 62.75 62.45 1tle n ILE 28 Cb 0.44 -2.07 -0.02 0.00 -1.74 0.00 0.00 39.64 36.25 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 -3.96 2.48 -4.05 4.28 4.01 -1.26 -4.67 117.16 113.98 1tle n TYR 29 Ca -0.09 -2.74 -0.44 0.00 -0.16 0.00 0.00 57.90 54.47 1tle n TYR 29 Cb 0.35 -2.29 0.02 0.00 -0.31 0.00 0.00 39.34 37.11 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 4.73 -3.95 -4.31 7.72 3.02 -1.26 -4.50 115.26 116.71 1tle n ASN 30 Ca 0.63 -1.23 -0.26 0.00 -0.03 0.00 0.00 54.58 53.68 1tle n ASN 30 Cb 0.27 -1.51 -0.13 0.00 -0.61 0.00 0.00 39.78 37.80 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1tle s THR 31 N -3.54 1.88 0.00 3.41 -4.23 -1.26 -1.41 115.64 110.48 1tle s THR 31 Ca 0.44 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1tle s THR 31 Cb -0.24 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1tle s THR 31 CO 0.93 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 175.10 1tle n ALA 32 N 1.31 0.00 0.00 3.99 0.00 -0.02 -4.49 120.51 121.30 1tle n ALA 32 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1tle n ALA 32 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.27 0.41 0.00 0.00 -1.26 -0.28 105.19 108.79 1tle n GLY 33 Ca 0.00 -1.49 0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.56 1.61 3.57 -1.98 -1.13 116.94 118.45 1tle h PHE 34 Ca 0.00 0.00 -0.41 0.00 3.53 0.00 0.00 57.97 61.09 1tle h PHE 34 Cb 0.00 0.00 -0.33 0.00 2.79 0.00 0.00 35.95 38.41 1tle h PHE 34 CO 0.00 0.00 -0.75 0.66 -2.23 0.00 0.00 178.31 175.99 1tle n TYR 35 N -4.33 2.04 -3.84 0.41 4.02 -1.26 -4.63 117.16 109.56 1tle n TYR 35 Ca 0.12 -2.03 -0.27 0.00 -0.01 0.00 0.00 57.90 55.71 1tle n TYR 35 Cb 0.72 -0.31 0.01 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.90 2.73 -2.37 0.00 -0.08 0.62 -4.48 116.55 110.08 1tle n ASP 37 Ca -0.25 -1.84 -0.10 0.00 -1.51 0.00 0.00 54.79 51.10 1tle n ASP 37 Cb 0.66 -0.03 -0.03 0.00 2.34 0.00 0.00 41.12 44.06 1tle n ASP 37 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tle n ARG 38 N 1.13 0.75 -4.38 -0.67 1.74 -0.68 -4.87 116.66 109.68 1tle n ARG 38 Ca 0.12 -1.34 -0.34 0.00 -0.77 0.00 0.00 57.85 55.53 1tle n ARG 38 Cb 0.50 0.75 -0.14 0.00 -1.02 0.00 0.00 32.46 32.56 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tle n LYS 40 N 3.95 0.71 -1.69 0.00 4.81 -0.50 -4.49 118.16 120.95 1tle n LYS 40 Ca -0.18 0.30 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1tle n LYS 40 Cb 0.52 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 33.22 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 -1.84 2.82 0.00 1.64 4.71 -1.26 -1.80 120.64 124.90 1tle n GLU 41 Ca 0.14 1.03 0.00 0.00 -0.01 0.00 0.00 57.16 58.32 1tle n GLU 41 Cb 0.49 -2.92 0.00 0.00 -1.01 0.00 0.00 31.44 27.99 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 4.24 1.25 3.00 0.62 0.00 -1.26 -5.05 105.19 107.99 1tle n GLY 42 Ca 0.18 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.64 1.37 0.47 1.61 0.40 -0.75 -4.32 117.98 116.12 1tle s PHE 43 Ca 0.00 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1tle s PHE 43 Cb 0.00 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1tle s PHE 43 CO 0.00 -0.29 0.19 -0.06 0.70 0.00 0.00 175.22 175.76 1tle s PHE 44 N 0.79 2.16 -1.37 0.36 0.40 0.38 -4.02 117.98 116.68 1tle s PHE 44 Ca -0.12 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.46 1tle s PHE 44 Cb -0.15 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1tle s PHE 44 CO 0.02 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.38 1tle n GLY 45 N -1.37 0.43 2.85 4.36 0.00 -1.26 0.19 105.19 110.39 1tle n GLY 45 Ca -0.06 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 3.08 0.00 1.61 0.01 -0.30 -4.77 114.94 110.57 1tle s ASN 46 Ca 0.00 -0.82 0.25 0.00 -0.71 0.00 0.00 52.86 51.57 1tle s ASN 46 Cb 0.00 -0.87 1.35 0.00 0.41 0.00 0.00 41.25 42.14 1tle s ASN 46 CO 0.00 -0.23 1.83 -0.81 -1.51 0.00 0.00 177.10 176.38 1tle n PRO 47 N 4.88 0.55 -1.90 -0.60 -0.04 -1.26 -3.27 135.00 133.36 1tle n PRO 47 Ca -0.11 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1tle n PRO 47 Cb 0.47 -1.50 0.03 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 -1.15 5.54 -4.83 1.53 4.77 -1.26 -4.60 117.00 117.00 1tle n LEU 48 Ca 0.15 -4.68 -0.28 0.00 -0.03 0.00 0.00 56.01 51.17 1tle n LEU 48 Cb 0.14 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1tle n LEU 48 CO 0.16 1.98 -0.20 0.00 -1.33 0.00 0.00 177.39 178.00 1tle s ALA 49 N -3.65 3.69 0.12 -1.18 0.00 -1.20 -5.00 121.76 114.53 1tle s ALA 49 Ca 0.54 -1.10 0.13 0.00 0.00 0.00 0.00 51.96 51.53 1tle s ALA 49 Cb 0.43 -1.50 0.28 0.00 0.00 0.00 0.00 23.12 22.33 1tle s ALA 49 CO 0.01 0.59 1.55 -1.00 0.00 0.00 0.00 175.76 176.91 1tle h PRO 50 N 2.61 0.00 -5.60 0.00 0.13 -1.94 -3.43 132.00 123.76 1tle h PRO 50 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1tle h PRO 50 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1tle h PRO 50 CO 0.66 0.59 -0.51 -0.80 -0.23 0.00 0.00 178.00 177.72 1tle s ASN 51 N -6.60 6.15 0.35 1.44 0.02 -1.26 -4.98 114.94 110.06 1tle s ASN 51 Ca 0.01 0.36 0.26 0.00 -1.02 0.00 0.00 52.86 52.47 1tle s ASN 51 Cb 0.10 -1.98 0.84 0.00 0.02 0.00 0.00 41.25 40.23 1tle s ASN 51 CO 0.75 0.35 1.76 1.55 0.02 0.00 0.00 177.10 181.53 1tle h PRO 52 N 5.41 0.00 0.00 -0.60 0.13 -1.98 -3.01 132.00 131.94 1tle h PRO 52 Ca -0.51 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1tle h PRO 52 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1tle h PRO 52 CO 0.61 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 178.03 1tle h ALA 53 N 2.22 0.89 -0.52 -0.56 0.00 -1.97 -3.01 119.26 116.31 1tle h ALA 53 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1tle h ALA 53 Cb 0.67 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 1tle h ALA 53 CO 0.00 0.44 0.13 -0.25 0.00 0.00 0.00 179.25 179.57 1tle n ASP 54 N -3.36 3.31 -0.87 0.00 9.92 -1.14 -4.89 116.55 119.52 1tle n ASP 54 Ca 0.01 -3.53 0.00 0.00 -0.53 0.00 0.00 54.79 50.73 1tle n ASP 54 Cb 0.56 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 -0.89 3.60 -3.03 -1.24 4.81 -1.14 -3.28 118.16 117.00 1tle n LYS 55 Ca 0.38 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.37 1tle n LYS 55 Cb 1.19 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 36.23 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 1.32 2.17 0.00 0.00 1.02 0.50 -4.30 119.74 120.45 1tle s LYS 57 Ca 0.37 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1tle s LYS 57 Cb -0.05 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1tle s LYS 57 CO -0.04 -0.13 0.48 0.00 -0.92 0.00 0.00 175.35 174.75