#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle h PRO 2 N 0.00 -0.12 -7.74 2.89 0.13 -1.93 -3.47 132.00 121.77 1tle h PRO 2 Ca 0.00 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.68 1tle h PRO 2 Cb 0.00 0.03 0.14 0.00 0.13 0.00 0.00 31.00 31.29 1tle h PRO 2 CO 0.00 -0.03 0.42 0.00 -0.23 0.00 0.00 178.00 178.15 1tle n GLN 4 N -3.58 0.00 0.00 0.00 -0.06 -1.26 -4.94 117.38 107.54 1tle n GLN 4 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1tle n GLN 4 Cb 0.60 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 1tle n GLN 4 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1tle n ASN 6 N 0.00 0.00 0.00 0.00 3.02 -1.26 -4.66 115.26 112.36 1tle n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1tle n ASN 6 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.73 6.41 8.00 -1.26 -4.35 116.55 121.62 1tle n ASP 7 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 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 3.83 4.05 -3.67 -2.24 5.03 -1.26 -4.98 115.26 116.01 1tle n ASN 8 Ca 0.00 -3.34 -0.15 0.00 0.87 0.00 0.00 54.58 51.97 1tle n ASN 8 Cb 0.00 -0.84 -0.08 0.00 -1.02 0.00 0.00 39.78 37.84 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 -2.11 0.02 -0.17 2.41 -5.25 -1.26 -1.27 121.20 113.57 1tle s ILE 9 Ca 0.33 -0.18 -0.04 0.00 -0.99 0.00 0.00 60.65 59.77 1tle s ILE 9 Cb 0.05 -0.76 -0.03 0.00 2.95 0.00 0.00 42.46 44.67 1tle s ILE 9 CO -0.05 -0.10 -0.03 -1.81 -1.79 0.00 0.00 174.94 171.16 1tle s ASP 10 N -0.78 4.80 0.21 4.36 1.11 -1.26 -4.93 116.67 120.18 1tle s ASP 10 Ca -0.09 -0.15 0.25 0.00 0.18 0.00 0.00 52.55 52.75 1tle s ASP 10 Cb -0.03 -1.79 0.89 0.00 1.07 0.00 0.00 42.92 43.06 1tle s ASP 10 CO 0.05 0.14 1.75 -0.81 1.18 0.00 0.00 175.17 177.48 1tle n PRO 11 N 3.72 0.22 0.00 8.23 -0.04 -1.26 -4.10 135.00 141.77 1tle n PRO 11 Ca -0.17 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1tle n PRO 11 Cb 0.52 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.20 0.00 -4.49 3.54 5.03 -1.26 -4.87 115.26 111.01 1tle n ASN 12 Ca 0.04 0.40 -0.31 0.00 0.87 0.00 0.00 54.58 55.58 1tle n ASN 12 Cb 0.35 -0.39 0.17 0.00 -1.02 0.00 0.00 39.78 38.89 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tle n ALA 13 N -1.66 -2.27 -2.70 5.41 0.00 -1.26 -5.00 120.51 113.02 1tle n ALA 13 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 53.44 52.36 1tle n ALA 13 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 17.44 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 -2.46 4.02 0.00 0.00 1.01 -1.26 -4.57 120.40 117.15 1tle s VAL 14 Ca 0.62 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1tle s VAL 14 Cb -0.21 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1tle s VAL 14 CO 0.64 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1tle n GLY 15 N 0.22 1.60 0.55 4.51 0.00 -1.26 -4.92 105.19 105.88 1tle n GLY 15 Ca -0.10 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.25 1tle n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tle h ASN 16 N 1.05 0.00 -4.24 1.61 2.35 -1.81 -3.24 115.58 111.30 1tle h ASN 16 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1tle h ASN 16 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.15 1tle h ASN 16 CO 0.00 0.00 -0.82 0.00 -1.65 0.00 0.00 177.43 174.96 1tle s ASN 18 N -1.82 7.13 0.31 0.00 -0.87 0.02 -4.64 114.94 115.06 1tle s ASN 18 Ca 0.05 1.37 0.04 0.00 -1.57 0.00 0.00 52.86 52.76 1tle s ASN 18 Cb -0.10 -2.50 0.50 0.00 -0.02 0.00 0.00 41.25 39.13 1tle s ASN 18 CO 0.04 -0.33 1.77 0.03 -2.57 0.00 0.00 177.10 176.04 1tle h ARG 19 N 7.05 0.43 0.01 -0.60 3.08 -1.92 0.85 114.38 123.27 1tle h ARG 19 Ca -0.34 -0.14 -0.37 0.00 0.07 0.00 0.00 59.98 59.19 1tle h ARG 19 Cb 1.17 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 1tle h ARG 19 CO 0.81 0.62 -2.37 1.47 -1.07 0.00 0.00 179.97 179.42 1tle n LEU 20 N -4.16 1.33 0.09 3.04 -0.00 -1.26 -4.46 117.00 111.58 1tle n LEU 20 Ca -0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 56.01 56.05 1tle n LEU 20 Cb 0.36 -0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.63 1tle n LEU 20 CO 0.41 0.68 0.00 0.71 -0.00 0.00 0.00 177.39 179.19 1tle h THR 21 N 0.00 0.27 -5.32 1.47 1.35 -1.95 -3.49 112.91 105.25 1tle h THR 21 Ca -0.54 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 63.81 1tle h THR 21 Cb 2.09 1.83 0.01 0.00 -1.73 0.00 0.00 68.15 70.35 1tle h THR 21 CO -0.01 0.16 -0.04 0.61 -0.25 0.00 0.00 175.52 175.99 1tle n GLY 22 N 1.26 -1.21 3.78 5.82 0.00 0.29 -4.93 105.19 110.20 1tle n GLY 22 Ca -0.03 0.46 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 1tle n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tle s GLU 23 N -3.06 1.41 -0.52 1.61 4.04 -1.26 -4.85 118.70 116.07 1tle s GLU 23 Ca 0.02 -0.77 -0.27 0.00 0.04 0.00 0.00 54.97 53.99 1tle s GLU 23 Cb -0.00 0.49 -0.04 0.00 0.02 0.00 0.00 34.13 34.60 1tle s GLU 23 CO 0.73 -0.65 2.08 0.00 -1.84 0.00 0.00 175.26 175.58 1tle h LEU 25 N 17.35 0.00 -6.15 0.00 6.46 -1.03 -3.42 115.31 128.53 1tle h LEU 25 Ca -0.27 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 56.97 1tle h LEU 25 Cb 1.21 0.00 -0.35 0.00 -0.73 0.00 0.00 40.66 40.79 1tle h LEU 25 CO 1.17 0.60 -0.91 1.17 -0.62 0.00 0.00 178.44 179.85 1tle n LYS 26 N -3.07 0.26 -1.35 1.25 3.00 -1.19 -4.93 118.16 112.13 1tle n LYS 26 Ca -0.04 -3.01 -0.36 0.00 -0.00 0.00 0.00 58.31 54.90 1tle n LYS 26 Cb 0.82 -1.62 0.07 0.00 0.00 0.00 0.00 35.03 34.30 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 -2.33 0.74 -1.46 0.00 -5.35 -0.40 -4.66 119.36 105.91 1tle n ILE 28 Ca 0.12 0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 62.53 1tle n ILE 28 Cb 0.49 -1.96 -0.04 0.00 -1.74 0.00 0.00 39.64 36.40 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 -3.48 2.50 -3.70 4.28 4.01 -1.26 -4.59 117.16 114.92 1tle n TYR 29 Ca -0.04 -2.11 -0.22 0.00 -0.16 0.00 0.00 57.90 55.37 1tle n TYR 29 Cb 0.16 -2.05 -0.03 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 7.90 -0.67 -4.35 7.72 5.03 -1.26 -4.74 115.26 124.89 1tle n ASN 30 Ca 0.50 -0.74 -0.26 0.00 0.87 0.00 0.00 54.58 54.95 1tle n ASN 30 Cb 0.41 -0.90 -0.12 0.00 -1.02 0.00 0.00 39.78 38.15 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 -3.95 2.02 0.00 3.41 -4.23 -1.26 -1.66 115.64 109.97 1tle s THR 31 Ca 0.12 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1tle s THR 31 Cb -0.07 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1tle s THR 31 CO 0.56 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.57 1tle n ALA 32 N 0.73 0.00 0.00 3.99 0.00 -0.38 -4.49 120.51 120.36 1tle n ALA 32 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1tle n ALA 32 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 4.13 -0.26 0.41 0.00 0.00 -1.26 -1.04 105.19 107.17 1tle n GLY 33 Ca 0.00 -1.57 0.21 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 0.47 -0.73 1.61 3.57 -1.98 -1.23 116.94 118.65 1tle h PHE 34 Ca 0.00 0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.98 1tle h PHE 34 Cb 0.00 -0.14 -0.41 0.00 2.79 0.00 0.00 35.95 38.19 1tle h PHE 34 CO 0.00 0.11 -0.78 0.66 -2.23 0.00 0.00 178.31 176.07 1tle n TYR 35 N -4.49 2.66 -2.87 0.41 4.01 -1.26 -2.40 117.16 113.21 1tle n TYR 35 Ca 0.20 -2.21 -0.17 0.00 -0.16 0.00 0.00 57.90 55.56 1tle n TYR 35 Cb 0.75 -0.35 -0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.03 1.98 -2.35 0.00 2.03 -0.24 -4.58 116.55 111.37 1tle n ASP 37 Ca -0.08 -2.04 -0.10 0.00 0.52 0.00 0.00 54.79 53.10 1tle n ASP 37 Cb 0.57 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 1tle n ASP 37 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1tle n ARG 38 N 0.50 0.73 -5.23 -0.67 3.00 -0.20 -4.84 116.66 109.94 1tle n ARG 38 Ca 0.12 -1.34 -0.32 0.00 -0.00 0.00 0.00 57.85 56.31 1tle n ARG 38 Cb 0.33 0.77 -0.17 0.00 0.00 0.00 0.00 32.46 33.39 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 3.34 1.40 -1.72 0.00 4.81 -0.67 -4.51 118.16 120.82 1tle n LYS 40 Ca -0.18 0.51 -0.42 0.00 -0.87 0.00 0.00 58.31 57.35 1tle n LYS 40 Cb 0.53 -2.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 1tle n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1tle n GLU 41 N -0.58 2.74 0.00 1.64 0.28 -1.26 -2.29 120.64 121.17 1tle n GLU 41 Ca 0.11 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 58.10 1tle n GLU 41 Cb 0.43 -2.83 0.00 0.00 1.43 0.00 0.00 31.44 30.48 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tle n GLY 42 N 3.85 2.32 3.08 -1.84 0.00 -1.26 -5.04 105.19 106.30 1tle n GLY 42 Ca 0.16 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.30 1.80 0.44 1.61 0.40 -0.97 -4.38 117.98 116.58 1tle s PHE 43 Ca 0.00 -0.71 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 1tle s PHE 43 Cb 0.00 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1tle s PHE 43 CO 0.00 -0.34 0.30 -0.06 0.70 0.00 0.00 175.22 175.82 1tle s PHE 44 N 0.62 2.43 -1.87 0.36 0.08 0.53 -4.29 117.98 115.84 1tle s PHE 44 Ca -0.15 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.29 1tle s PHE 44 Cb -0.16 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1tle s PHE 44 CO 0.04 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1tle n GLY 45 N -1.46 0.49 3.15 4.36 0.00 -1.26 -0.29 105.19 110.18 1tle n GLY 45 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 4.89 0.00 1.61 -0.87 -0.21 -4.81 114.94 111.56 1tle s ASN 46 Ca 0.00 -1.44 0.22 0.00 -1.57 0.00 0.00 52.86 50.08 1tle s ASN 46 Cb 0.00 -1.71 1.05 0.00 -0.02 0.00 0.00 41.25 40.57 1tle s ASN 46 CO 0.00 -0.30 1.73 -0.81 -2.57 0.00 0.00 177.10 175.15 1tle n PRO 47 N 4.58 0.17 -2.20 -0.60 -0.04 -1.26 -3.26 135.00 132.38 1tle n PRO 47 Ca -0.11 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 1tle n PRO 47 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.39 4.53 -4.91 1.53 -0.00 -1.26 -4.82 117.00 110.68 1tle n LEU 48 Ca 0.08 -4.69 -0.28 0.00 -0.00 0.00 0.00 56.01 51.12 1tle n LEU 48 Cb 0.22 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.33 1tle n LEU 48 CO 0.19 2.04 0.23 0.00 -0.00 0.00 0.00 177.39 179.85 1tle s ALA 49 N -3.59 3.59 -0.10 1.96 0.00 -1.20 -4.98 121.76 117.44 1tle s ALA 49 Ca 0.48 -0.57 0.24 0.00 0.00 0.00 0.00 51.96 52.12 1tle s ALA 49 Cb 0.40 -2.33 0.69 0.00 0.00 0.00 0.00 23.12 21.88 1tle s ALA 49 CO -0.02 0.16 1.73 -1.00 0.00 0.00 0.00 175.76 176.63 1tle h PRO 50 N 1.45 0.00 -5.45 0.00 0.13 -1.93 -3.43 132.00 122.76 1tle h PRO 50 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1tle h PRO 50 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1tle h PRO 50 CO 0.65 0.16 -0.50 -0.80 -0.23 0.00 0.00 178.00 177.27 1tle s ASN 51 N -6.13 6.16 0.46 1.44 0.01 -1.26 -4.97 114.94 110.64 1tle s ASN 51 Ca 0.03 0.30 0.28 0.00 -0.71 0.00 0.00 52.86 52.77 1tle s ASN 51 Cb 0.08 -2.03 0.90 0.00 0.41 0.00 0.00 41.25 40.60 1tle s ASN 51 CO 0.65 0.28 1.80 1.55 -1.51 0.00 0.00 177.10 179.87 1tle h PRO 52 N 5.92 0.00 -0.60 -0.60 0.13 -2.00 -2.92 132.00 131.93 1tle h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1tle n ALA 53 N -2.05 2.69 -2.30 -0.56 0.00 -1.26 -4.10 120.51 112.93 1tle n ALA 53 Ca 0.02 -1.12 0.04 0.00 0.00 0.00 0.00 53.44 52.39 1tle n ALA 53 Cb 0.40 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 1.01 1.16 0.00 0.00 8.00 -1.10 -5.04 116.55 120.58 1tle n ASP 54 Ca 0.20 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.28 1tle n ASP 54 Cb 0.61 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.14 0.00 -3.42 -1.24 5.02 -1.25 -4.13 118.16 113.29 1tle n LYS 55 Ca 0.09 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.94 1tle n LYS 55 Cb 1.05 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.98 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 1.62 2.57 0.00 0.00 3.01 0.60 -4.61 119.74 122.94 1tle s LYS 57 Ca 0.04 -1.50 0.31 0.00 -1.01 0.00 0.00 55.97 53.80 1tle s LYS 57 Cb -0.24 -2.44 1.59 0.00 -1.01 0.00 0.00 37.83 35.73 1tle s LYS 57 CO 0.07 -0.24 2.05 0.00 0.51 0.00 0.00 175.35 177.74