#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ro3 n GLU 3 N -4.82 0.00 0.00 0.00 -0.58 -1.26 -4.98 120.64 109.00 1ro3 n GLU 3 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1ro3 n GLU 3 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ro3 n SER 4 N 0.00 0.00 -4.67 1.62 2.88 -1.26 -5.13 113.62 107.06 1ro3 n SER 4 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1ro3 n SER 4 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ro3 n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ro3 s GLY 5 N 0.00 1.71 0.22 0.46 0.00 -1.26 -4.16 107.32 104.28 1ro3 s GLY 5 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 44.72 45.60 1ro3 s GLY 5 CO 0.00 2.66 1.49 -0.56 0.00 0.00 0.00 173.10 176.69 1ro3 h PRO 6 N 8.42 0.01 -3.88 2.90 0.13 -1.60 -3.16 132.00 134.83 1ro3 h PRO 6 Ca -0.35 -0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.11 1ro3 h PRO 6 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ro3 h PRO 6 CO 0.93 0.76 3.04 0.00 -0.23 0.00 0.00 178.00 182.51 1ro3 n ARG 9 N 2.21 -0.02 0.00 0.00 0.00 -1.15 -2.46 116.66 115.24 1ro3 n ARG 9 Ca 0.10 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 1ro3 n ARG 9 Cb 0.64 -0.48 0.00 0.00 -0.00 0.00 0.00 32.46 32.62 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1ro3 n ASN 10 N -4.20 2.22 0.00 2.89 6.94 -1.26 -4.34 115.26 117.52 1ro3 n ASN 10 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1ro3 n ASN 10 Cb 0.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ro3 s LYS 12 N 0.00 0.48 0.00 0.00 -2.85 -1.26 -4.97 119.74 111.14 1ro3 s LYS 12 Ca 0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 1ro3 s LYS 12 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1ro3 s LYS 12 CO 0.00 -0.60 0.00 0.34 0.10 0.00 0.00 175.35 175.19 1ro3 n PHE 13 N 2.93 0.00 0.00 1.78 7.35 -0.49 -4.45 117.46 124.59 1ro3 n PHE 13 Ca 0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 1ro3 n PHE 13 Cb 0.62 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.45 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ro3 n LEU 14 N 0.00 1.63 -2.68 -2.13 7.94 -1.26 -4.86 117.00 115.64 1ro3 n LEU 14 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1ro3 n LEU 14 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1ro3 n LEU 14 CO 0.00 0.00 0.50 -1.59 -1.11 0.00 0.00 177.39 175.19 1ro3 s LYS 15 N 0.00 0.17 0.00 1.96 -2.85 -1.26 -5.07 119.74 112.69 1ro3 s LYS 15 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1ro3 s LYS 15 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1ro3 s LYS 15 CO 0.00 -0.21 0.00 0.39 0.10 0.00 0.00 175.35 175.63 1ro3 n GLU 16 N 2.69 0.00 0.00 1.78 1.02 -1.26 -3.97 120.64 120.90 1ro3 n GLU 16 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ro3 n GLU 16 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 1ro3 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ro3 n GLY 17 N 0.00 0.59 0.19 0.62 0.00 -1.26 -5.00 105.19 100.33 1ro3 n GLY 17 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ro3 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ro3 h THR 18 N 0.00 0.00 -1.65 2.61 2.02 -1.81 -3.46 112.91 110.62 1ro3 h THR 18 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ro3 h THR 18 Cb 0.00 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1ro3 h THR 18 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1ro3 n ILE 19 N -2.55 0.00 0.00 3.11 3.06 -1.14 0.23 119.36 122.07 1ro3 n ILE 19 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1ro3 n ILE 19 Cb 0.24 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.42 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ro3 s LYS 21 N -0.09 2.38 -0.43 0.00 1.02 -1.26 -2.95 119.74 118.41 1ro3 s LYS 21 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 1ro3 s LYS 21 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1ro3 s LYS 21 CO 0.00 -0.02 1.53 -2.13 -0.92 0.00 0.00 175.35 173.81 1ro3 n ARG 22 N 4.08 1.00 0.00 1.68 3.00 0.85 -4.46 116.66 122.81 1ro3 n ARG 22 Ca -0.20 -0.95 0.00 0.00 -0.00 0.00 0.00 57.85 56.71 1ro3 n ARG 22 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 n ALA 23 N 4.57 0.00 -0.23 5.13 0.00 0.11 0.91 120.51 131.00 1ro3 n ALA 23 Ca 0.21 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.84 1ro3 n ALA 23 Cb 0.07 0.24 0.30 0.00 0.00 0.00 0.00 19.45 20.06 1ro3 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ro3 n ARG 24 N -2.43 -0.01 0.00 0.00 1.74 -1.26 -2.30 116.66 112.39 1ro3 n ARG 24 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1ro3 n ARG 24 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ro3 n GLY 25 N -1.27 0.00 0.00 -0.13 0.00 1.17 -4.91 105.19 100.05 1ro3 n GLY 25 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ro3 n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ro3 n ASP 26 N -2.65 0.00 -3.62 1.61 4.64 5.55 -4.98 116.55 117.10 1ro3 n ASP 26 Ca 0.00 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.29 1ro3 n ASP 26 Cb 0.21 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.23 1ro3 n ASP 26 CO 0.00 0.00 0.00 1.51 -0.82 0.00 0.00 177.20 177.89 1ro3 s ASP 27 N 2.00 -0.56 -0.08 1.67 -4.77 -1.23 0.29 116.67 113.99 1ro3 s ASP 27 Ca 0.00 0.99 -0.07 0.00 -3.30 0.00 0.00 52.55 50.17 1ro3 s ASP 27 Cb 0.00 0.97 -0.02 0.00 -1.09 0.00 0.00 42.92 42.78 1ro3 s ASP 27 CO 0.00 -0.25 -0.13 0.23 0.70 0.00 0.00 175.17 175.73 1ro3 n MET 28 N 2.08 0.24 0.00 2.11 2.81 -1.22 -4.20 117.12 118.93 1ro3 n MET 28 Ca -0.13 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1ro3 n MET 28 Cb 0.56 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 1ro3 n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ro3 n ASP 29 N -3.41 0.00 -3.15 7.83 9.92 0.63 -5.00 116.55 123.37 1ro3 n ASP 29 Ca -0.05 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.26 1ro3 n ASP 29 Cb 0.19 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1ro3 s ASP 30 N 1.80 -0.68 0.36 -2.24 -4.77 0.42 -3.37 116.67 108.20 1ro3 s ASP 30 Ca 0.00 0.40 0.08 0.00 -3.30 0.00 0.00 52.55 49.73 1ro3 s ASP 30 Cb 0.00 1.56 -0.04 0.00 -1.09 0.00 0.00 42.92 43.34 1ro3 s ASP 30 CO 0.00 -0.13 0.15 -0.72 0.70 0.00 0.00 175.17 175.17 1ro3 s TYR 31 N 2.93 2.66 0.00 2.11 1.13 -1.26 -2.94 117.35 121.98 1ro3 s TYR 31 Ca 0.05 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1ro3 s TYR 31 Cb -0.11 -1.74 0.00 0.00 -1.10 0.00 0.00 41.96 39.02 1ro3 s TYR 31 CO -0.14 0.29 0.00 0.00 -2.51 0.00 0.00 175.55 173.19 1ro3 n ASN 33 N -0.43 0.00 -1.33 0.00 6.94 -1.25 -4.35 115.26 114.84 1ro3 n ASN 33 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1ro3 n ASN 33 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ro3 n GLY 34 N 0.00 1.65 0.00 4.83 0.00 -1.26 -4.74 105.19 105.67 1ro3 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ro3 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ro3 n LYS 35 N -1.81 0.00 -3.25 1.61 4.81 -1.26 -5.00 118.16 113.26 1ro3 n LYS 35 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.06 1ro3 n LYS 35 Cb 0.66 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.74 1ro3 n LYS 35 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1ro3 s THR 36 N 1.93 2.22 -0.60 3.15 -1.32 -1.26 -2.55 115.64 117.21 1ro3 s THR 36 Ca 0.00 -1.13 0.06 0.00 -1.21 0.00 0.00 61.69 59.41 1ro3 s THR 36 Cb 0.00 -2.35 0.23 0.00 -1.51 0.00 0.00 72.50 68.87 1ro3 s THR 36 CO 0.00 0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.04 1ro3 n ASP 38 N 1.29 1.44 0.00 0.00 5.75 -1.26 -1.33 116.55 122.44 1ro3 n ASP 38 Ca 0.26 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1ro3 n ASP 38 Cb 0.42 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ro3 n PRO 40 N -1.01 2.62 -2.66 0.00 -0.04 -0.67 -1.30 135.00 131.94 1ro3 n PRO 40 Ca 0.00 -1.91 -0.03 0.00 -0.04 0.00 0.00 63.50 61.52 1ro3 n PRO 40 Cb 0.46 -2.75 0.10 0.00 -0.04 0.00 0.00 33.50 31.28 1ro3 n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ro3 n ARG 41 N 4.69 0.12 -2.86 0.54 0.63 -1.25 -4.15 116.66 114.38 1ro3 n ARG 41 Ca 0.57 -0.67 -0.19 0.00 -0.92 0.00 0.00 57.85 56.65 1ro3 n ARG 41 Cb 0.24 -0.11 -0.01 0.00 0.45 0.00 0.00 32.46 33.03 1ro3 n ARG 41 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ro3 n ASN 42 N 0.36 2.40 -2.62 6.15 2.04 -1.25 0.10 115.26 122.43 1ro3 n ASN 42 Ca -0.09 -3.18 -0.18 0.00 -0.44 0.00 0.00 54.58 50.69 1ro3 n ASN 42 Cb 0.75 -0.55 -0.08 0.00 -2.53 0.00 0.00 39.78 37.36 1ro3 n ASN 42 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ro3 n PRO 43 N -0.06 2.09 0.00 -0.53 -0.04 -1.26 -1.51 135.00 133.69 1ro3 n PRO 43 Ca 0.24 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1ro3 n PRO 43 Cb 0.65 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1ro3 n PRO 43 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ro3 n HIS 44 N 3.21 0.00 0.00 0.54 -0.00 -1.26 -4.92 115.22 112.79 1ro3 n HIS 44 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1ro3 n HIS 44 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1ro3 n LYS 45 N 0.00 0.00 -0.29 -0.41 4.76 -1.26 -3.60 118.16 117.35 1ro3 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ro3 n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ro3 n GLY 46 N -0.67 0.61 0.00 0.72 0.00 -1.26 -4.96 105.19 99.63 1ro3 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ro3 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ro3 n PRO 47 N 0.00 1.39 0.00 1.61 -0.04 -1.13 -5.05 135.00 131.78 1ro3 n PRO 47 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ro3 n PRO 47 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1ro3 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ro3 n ALA 48 N -3.00 0.00 -0.81 0.55 0.00 -0.57 -4.51 120.51 112.17 1ro3 n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ro3 n ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91