#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drs s ILE 2 N 0.00 5.16 -0.01 0.55 1.09 -1.26 -2.41 121.20 124.32 1drs s ILE 2 Ca 0.00 0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 60.19 1drs s ILE 2 Cb 0.00 -3.73 -0.00 0.00 -1.06 0.00 0.00 42.46 37.67 1drs s ILE 2 CO 0.00 0.16 0.04 0.00 -0.10 0.00 0.00 174.94 175.04 1drs s TYR 4 N -0.47 3.45 -0.15 0.00 2.02 -1.26 -1.30 117.35 119.65 1drs s TYR 4 Ca -0.05 0.71 0.18 0.00 -0.37 0.00 0.00 57.07 57.54 1drs s TYR 4 Cb -0.03 -2.13 0.34 0.00 -0.40 0.00 0.00 41.96 39.73 1drs s TYR 4 CO -0.00 0.34 1.20 -1.71 -1.57 0.00 0.00 175.55 173.81 1drs n ASN 5 N -0.07 2.54 -3.13 2.29 5.15 -1.04 -1.93 115.26 119.06 1drs n ASN 5 Ca -0.01 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1drs n ASN 5 Cb 0.52 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1drs n HIS 6 N -1.27 -0.05 -4.61 1.20 8.25 -0.86 -4.76 115.22 113.11 1drs n HIS 6 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1drs n HIS 6 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1drs n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1drs n LEU 7 N 0.00 0.00 0.00 2.41 4.32 0.37 -4.60 117.00 119.50 1drs n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1drs n LEU 7 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1drs n LEU 7 CO 0.00 -0.68 0.00 0.61 -1.22 0.00 0.00 177.39 176.10 1drs n GLY 8 N 0.00 2.07 0.00 -0.72 0.00 -1.26 -3.12 105.19 102.16 1drs n GLY 8 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1drs n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1drs n THR 9 N 0.00 0.00 -3.48 2.61 -1.04 -1.26 -5.11 114.28 106.00 1drs n THR 9 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1drs n THR 9 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1drs n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1drs s LYS 10 N -1.00 2.96 0.00 -2.82 -0.14 -1.18 -5.03 119.74 112.53 1drs s LYS 10 Ca 0.00 -1.02 0.11 0.00 -1.36 0.00 0.00 55.97 53.70 1drs s LYS 10 Cb 0.00 -3.94 0.46 0.00 -1.68 0.00 0.00 37.83 32.67 1drs s LYS 10 CO 0.00 -0.73 1.33 -0.35 -0.76 0.00 0.00 175.35 174.83 1drs n PRO 11 N 5.13 1.40 0.15 -1.68 -0.04 -1.26 -0.47 135.00 138.22 1drs n PRO 11 Ca -0.11 -0.61 0.03 0.00 -0.04 0.00 0.00 63.50 62.77 1drs n PRO 11 Cb 0.47 -1.22 0.08 0.00 -0.04 0.00 0.00 33.50 32.79 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1drs h PRO 12 N 1.07 0.00 -5.77 0.54 0.11 -1.96 -3.41 132.00 122.58 1drs h PRO 12 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 1drs h PRO 12 Cb 0.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.28 1drs h PRO 12 CO 0.00 0.48 -0.36 0.95 -0.21 0.00 0.00 178.00 178.86 1drs s THR 13 N -3.06 5.30 0.06 -1.15 -4.23 -1.26 -5.01 115.64 106.28 1drs s THR 13 Ca 0.03 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 1drs s THR 13 Cb 0.08 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 1drs s THR 13 CO 0.73 0.58 -0.20 0.42 -0.54 0.00 0.00 174.62 175.62 1drs s THR 14 N -0.91 1.62 -0.69 3.99 -4.23 -1.26 -2.03 115.64 112.13 1drs s THR 14 Ca 0.18 -1.27 -0.22 0.00 -1.18 0.00 0.00 61.69 59.20 1drs s THR 14 Cb -0.14 -1.43 0.07 0.00 1.34 0.00 0.00 72.50 72.34 1drs s THR 14 CO 0.08 0.11 0.99 -1.61 -0.54 0.00 0.00 174.62 173.65 1drs s GLU 15 N -1.37 3.16 -0.67 3.99 2.02 -0.42 -4.85 118.70 120.57 1drs s GLU 15 Ca 0.06 -0.91 -0.27 0.00 0.02 0.00 0.00 54.97 53.87 1drs s GLU 15 Cb -0.09 -4.31 0.02 0.00 0.10 0.00 0.00 34.13 29.85 1drs s GLU 15 CO 0.02 -1.83 1.33 0.99 0.02 0.00 0.00 175.26 175.80 1drs s THR 16 N 3.99 3.76 0.09 3.63 2.01 -1.26 -2.64 115.64 125.22 1drs s THR 16 Ca 0.24 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.84 1drs s THR 16 Cb -0.15 -4.73 -0.03 0.00 0.01 0.00 0.00 72.50 67.59 1drs s THR 16 CO 0.08 -1.58 -0.19 0.00 -0.69 0.00 0.00 174.62 172.25 1drs h GLN 18 N 4.15 0.00 -6.29 0.00 3.07 -1.94 0.63 115.11 114.73 1drs h GLN 18 Ca -0.44 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 57.73 1drs h GLN 18 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.72 1drs h GLN 18 CO 0.40 0.00 1.11 -1.21 0.09 0.00 0.00 178.83 179.22 1drs s GLU 19 N -3.18 3.80 0.00 0.06 0.41 -1.26 -4.76 118.70 113.76 1drs s GLU 19 Ca 0.05 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 1drs s GLU 19 Cb 0.13 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1drs s GLU 19 CO 0.74 -1.29 0.79 -0.25 -0.49 0.00 0.00 175.26 174.76 1drs n ASP 20 N 8.40 0.00 -4.03 -0.19 8.00 -1.26 -3.44 116.55 124.04 1drs n ASP 20 Ca 0.18 0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.83 1drs n ASP 20 Cb 0.45 -0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1drs s SER 21 N -2.58 0.84 0.14 -2.24 0.15 -1.26 -4.67 113.70 104.08 1drs s SER 21 Ca 0.00 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.35 1drs s SER 21 Cb 0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1drs s SER 21 CO 0.00 -0.06 -0.10 0.00 1.20 0.00 0.00 173.24 174.28 1drs s TYR 23 N -3.36 1.76 -0.35 0.00 -0.85 0.01 -1.27 117.35 113.29 1drs s TYR 23 Ca 0.16 -0.34 -0.11 0.00 -0.52 0.00 0.00 57.07 56.26 1drs s TYR 23 Cb 0.03 -1.13 0.01 0.00 0.38 0.00 0.00 41.96 41.25 1drs s TYR 23 CO -0.00 -0.02 0.21 0.15 -1.52 0.00 0.00 175.55 174.37 1drs s LYS 24 N -0.52 3.10 -0.26 -3.49 1.02 -0.56 -2.73 119.74 116.31 1drs s LYS 24 Ca 0.08 -0.89 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 1drs s LYS 24 Cb -0.08 -3.72 0.03 0.00 -0.52 0.00 0.00 37.83 33.53 1drs s LYS 24 CO -0.01 -0.58 -0.04 1.21 -0.92 0.00 0.00 175.35 175.02 1drs s ASN 25 N 1.61 4.47 0.00 2.83 2.47 -1.26 -3.28 114.94 121.78 1drs s ASN 25 Ca 0.04 -0.89 0.00 0.00 0.42 0.00 0.00 52.86 52.43 1drs s ASN 25 Cb -0.18 -1.69 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1drs s ASN 25 CO 0.08 -0.15 0.32 2.30 -3.72 0.00 0.00 177.10 175.93 1drs n ILE 26 N 4.69 0.00 0.00 -5.21 -0.00 -1.25 -2.49 119.36 115.10 1drs n ILE 26 Ca -0.16 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.15 1drs n ILE 26 Cb 0.47 1.08 0.00 0.00 -0.00 0.00 0.00 39.64 41.19 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1drs n TRP 27 N -0.25 0.00 0.00 4.28 2.14 -1.22 -3.88 117.44 118.51 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.52 1drs n TRP 27 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1drs n THR 28 N 0.00 0.00 0.00 -1.67 5.66 -1.26 -2.21 114.28 114.80 1drs n THR 28 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1drs n THR 28 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1drs n THR 28 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1drs n PHE 29 N -1.80 0.00 0.87 1.09 3.72 -1.26 -4.77 117.46 115.31 1drs n PHE 29 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1drs n PHE 29 Cb 0.00 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.02 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1drs n ASP 30 N 1.29 0.00 -1.84 4.37 5.75 -1.26 -4.96 116.55 119.90 1drs n ASP 30 Ca 0.00 0.16 -0.02 0.00 -0.01 0.00 0.00 54.79 54.92 1drs n ASP 30 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1drs n ASN 31 N -1.35 -3.45 -3.48 -1.12 5.15 -1.15 -5.06 115.26 104.79 1drs n ASN 31 Ca 0.08 0.11 -0.10 0.00 -0.60 0.00 0.00 54.58 54.07 1drs n ASN 31 Cb 0.18 -2.07 -0.02 0.00 -0.53 0.00 0.00 39.78 37.34 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1drs s ILE 32 N -1.66 0.00 -0.87 -1.44 1.10 -0.94 -4.99 121.20 112.41 1drs s ILE 32 Ca 0.05 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 60.02 1drs s ILE 32 Cb -0.01 -1.00 0.17 0.00 0.15 0.00 0.00 42.46 41.76 1drs s ILE 32 CO 0.19 0.00 0.95 -0.63 -2.11 0.00 0.00 174.94 173.34 1drs s ILE 33 N -3.21 5.10 -0.28 2.00 1.01 -1.26 -3.42 121.20 121.14 1drs s ILE 33 Ca 0.03 -1.91 -0.01 0.00 0.00 0.00 0.00 60.65 58.76 1drs s ILE 33 Cb -0.01 -4.63 0.09 0.00 0.01 0.00 0.00 42.46 37.91 1drs s ILE 33 CO -0.09 -1.29 0.07 -0.60 0.00 0.00 0.00 174.94 173.03 1drs s ARG 34 N 1.65 0.77 0.00 2.79 3.52 -1.04 -4.73 118.95 121.91 1drs s ARG 34 Ca 0.25 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1drs s ARG 34 Cb -0.08 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 1drs s ARG 34 CO -0.08 -0.88 0.00 2.89 -0.81 0.00 0.00 175.30 176.42 1drs n ARG 35 N 4.88 0.00 -1.26 5.12 -4.01 -0.81 -4.64 116.66 115.94 1drs n ARG 35 Ca -0.04 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.77 1drs n ARG 35 Cb 0.43 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.85 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1drs n GLY 36 N 0.00 0.90 3.65 2.89 0.00 -1.10 -3.57 105.19 107.95 1drs n GLY 36 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1drs n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n GLY 38 N 3.83 -1.71 4.40 0.00 0.00 -0.71 -4.93 105.19 106.06 1drs n GLY 38 Ca -0.16 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n PHE 40 N 0.00 2.62 -4.27 0.00 3.72 -1.26 -4.92 117.46 113.35 1drs n PHE 40 Ca 0.00 -2.84 -0.33 0.00 -0.05 0.00 0.00 57.45 54.22 1drs n PHE 40 Cb 0.00 -1.91 -0.16 0.00 -0.94 0.00 0.00 39.48 36.47 1drs n PHE 40 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1drs s THR 41 N -0.67 2.32 1.06 4.37 -1.32 -1.26 -5.15 115.64 114.99 1drs s THR 41 Ca 0.54 -0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 59.98 1drs s THR 41 Cb 0.17 -1.98 0.27 0.00 -1.51 0.00 0.00 72.50 69.45 1drs s THR 41 CO -0.08 0.52 0.87 -2.65 -2.21 0.00 0.00 174.62 171.08 1drs n PRO 42 N 4.44 -3.08 -0.74 7.08 -0.02 -1.26 -4.95 135.00 136.48 1drs n PRO 42 Ca -0.20 -1.41 0.00 0.00 -2.02 0.00 0.00 63.50 59.87 1drs n PRO 42 Cb 0.51 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1drs n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1drs n ARG 43 N -4.44 0.00 -2.23 -0.52 0.63 -1.26 -5.02 116.66 103.81 1drs n ARG 43 Ca 0.12 0.49 -0.29 0.00 -0.92 0.00 0.00 57.85 57.26 1drs n ARG 43 Cb 0.49 -0.24 0.01 0.00 0.45 0.00 0.00 32.46 33.17 1drs n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1drs n GLY 44 N 0.04 6.02 1.80 5.14 0.00 -1.26 -4.78 105.19 112.15 1drs n GLY 44 Ca 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 46.02 43.29 1drs n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1drs n ASP 45 N -0.56 4.45 0.00 1.61 5.68 -1.26 -4.89 116.55 121.58 1drs n ASP 45 Ca 0.44 -3.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1drs n ASP 45 Cb 0.67 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1drs n ASP 45 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 1drs n MET 46 N -0.34 0.00 -1.23 0.11 0.00 -1.26 -5.18 117.12 109.21 1drs n MET 46 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.80 1drs n MET 46 Cb 1.31 0.00 0.15 0.00 0.00 0.00 0.00 33.22 34.69 1drs n MET 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1drs s PRO 47 N -3.32 0.86 -1.06 3.17 0.02 -1.26 -4.97 135.00 128.44 1drs s PRO 47 Ca 0.00 0.61 -0.11 0.00 0.02 0.00 0.00 61.00 61.52 1drs s PRO 47 Cb 0.00 -1.78 0.25 0.00 0.02 0.00 0.00 34.50 32.99 1drs s PRO 47 CO 0.00 -2.46 1.08 0.20 -0.33 0.00 0.00 177.00 175.49 1drs s GLY 48 N -3.51 2.96 0.00 0.52 0.00 -1.26 -4.99 107.32 101.04 1drs s GLY 48 Ca 0.64 -3.64 0.00 0.00 0.00 0.00 0.00 44.72 41.73 1drs s GLY 48 CO 0.57 1.44 0.00 -1.05 0.00 0.00 0.00 173.10 174.05 1drs n PRO 49 N 3.49 0.00 -4.93 2.90 -0.01 -1.26 -4.73 135.00 130.47 1drs n PRO 49 Ca 0.23 0.00 -0.26 0.00 -0.01 0.00 0.00 63.50 63.46 1drs n PRO 49 Cb 0.42 0.00 -0.15 0.00 -0.01 0.00 0.00 33.50 33.75 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 175.50 177.01 1drs s TYR 50 N 0.00 1.72 0.27 6.00 -0.85 -1.20 -4.98 117.35 118.31 1drs s TYR 50 Ca 0.00 -0.33 0.12 0.00 -0.52 0.00 0.00 57.07 56.34 1drs s TYR 50 Cb 0.00 -1.11 -0.05 0.00 0.38 0.00 0.00 41.96 41.19 1drs s TYR 50 CO 0.00 -0.03 -0.17 0.00 -1.52 0.00 0.00 175.55 173.83 1drs n GLU 53 N 0.10 2.92 -3.83 0.00 0.28 -1.26 -1.40 120.64 117.46 1drs n GLU 53 Ca -0.13 -4.65 -0.06 0.00 -0.16 0.00 0.00 57.16 52.16 1drs n GLU 53 Cb 0.60 -2.16 -0.02 0.00 1.43 0.00 0.00 31.44 31.29 1drs n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1drs s SER 54 N -3.33 -0.23 -0.07 -1.84 0.01 -1.26 -5.01 113.70 101.96 1drs s SER 54 Ca 0.48 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1drs s SER 54 Cb 0.29 0.65 -0.02 0.00 0.21 0.00 0.00 66.02 67.16 1drs s SER 54 CO -0.13 -1.21 1.00 -0.62 0.41 0.00 0.00 173.24 172.69 1drs s ASP 55 N -2.93 7.29 0.00 2.44 2.15 -1.26 -4.48 116.67 119.87 1drs s ASP 55 Ca 0.11 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.67 1drs s ASP 55 Cb -0.05 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1drs s ASP 55 CO 0.06 -0.38 0.00 0.29 -0.17 0.00 0.00 175.17 174.96 1drs n LYS 56 N 4.64 0.00 -2.27 4.34 4.76 -1.16 -4.68 118.16 123.80 1drs n LYS 56 Ca 0.08 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.47 1drs n LYS 56 Cb 0.49 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.71 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1drs n ASN 58 N -1.85 -6.76 0.00 0.00 2.85 -1.26 -5.12 115.26 103.13 1drs n ASN 58 Ca -0.06 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1drs n ASN 58 Cb 0.55 -4.53 0.00 0.00 1.24 0.00 0.00 39.78 37.03 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04