#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 4.14 0.18 5.15 1.09 -1.26 -2.20 121.20 128.30 1drs s ILE 2 Ca 0.00 -0.28 -0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1drs s ILE 2 Cb 0.00 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 1drs s ILE 2 CO 0.00 0.53 0.10 0.00 -0.10 0.00 0.00 174.94 175.47 1drs s TYR 4 N -4.09 3.56 -0.10 0.00 1.51 -1.26 -0.62 117.35 116.33 1drs s TYR 4 Ca 0.34 1.73 0.20 0.00 -1.01 0.00 0.00 57.07 58.34 1drs s TYR 4 Cb 0.07 -2.97 0.44 0.00 -0.11 0.00 0.00 41.96 39.39 1drs s TYR 4 CO 0.09 -0.03 1.18 0.27 -1.11 0.00 0.00 175.55 175.95 1drs n ASN 5 N 0.31 1.48 -2.24 2.29 6.94 -0.98 -3.92 115.26 119.15 1drs n ASN 5 Ca 0.03 -2.63 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 1drs n ASN 5 Cb 0.50 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1drs n HIS 6 N -0.14 -3.24 -1.01 -2.53 8.25 -1.09 -4.79 115.22 110.67 1drs n HIS 6 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.67 1drs n HIS 6 Cb 0.97 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.06 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 4.77 -1.25 -4.55 117.00 118.38 1drs n LEU 7 Ca 0.00 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1drs n LEU 7 Cb 0.00 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1drs n LEU 7 CO 0.00 -1.42 0.00 0.61 -1.33 0.00 0.00 177.39 175.25 1drs n GLY 8 N -2.49 0.58 0.00 -0.72 0.00 -1.26 -4.23 105.19 97.08 1drs n GLY 8 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.71 0.00 -2.34 2.61 -1.04 -1.26 -5.09 114.28 104.45 1drs n THR 9 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1drs n THR 9 Cb 0.01 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.00 3.26 0.86 -2.82 -0.14 -1.26 -5.07 119.74 114.57 1drs s LYS 10 Ca 0.00 0.24 -0.11 0.00 -1.36 0.00 0.00 55.97 54.74 1drs s LYS 10 Cb 0.00 -2.25 0.11 0.00 -1.68 0.00 0.00 37.83 34.00 1drs s LYS 10 CO 0.00 -0.53 1.09 -2.14 -0.76 0.00 0.00 175.35 173.02 1drs s PRO 11 N -4.97 1.58 0.39 -1.68 0.02 -1.26 -3.84 135.00 125.24 1drs s PRO 11 Ca 0.52 0.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.06 1drs s PRO 11 Cb -0.11 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1drs s PRO 11 CO 0.47 -2.00 1.08 -2.30 -0.33 0.00 0.00 177.00 173.92 1drs n PRO 12 N -3.71 1.54 -3.53 5.54 -0.02 -1.26 -4.55 135.00 129.00 1drs n PRO 12 Ca 0.07 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1drs n PRO 12 Cb 0.55 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1drs n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1drs s THR 13 N -1.21 0.00 0.05 3.45 -4.23 -1.26 -5.01 115.64 107.44 1drs s THR 13 Ca 0.61 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1drs s THR 13 Cb -0.57 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1drs s THR 13 CO 0.58 0.00 -0.11 0.42 -0.54 0.00 0.00 174.62 174.97 1drs s THR 14 N -2.17 0.86 -0.71 3.99 -4.23 -1.26 -2.32 115.64 109.79 1drs s THR 14 Ca 0.01 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1drs s THR 14 Cb -0.01 -0.86 0.18 0.00 1.34 0.00 0.00 72.50 73.16 1drs s THR 14 CO -0.03 -0.25 0.55 -0.70 -0.54 0.00 0.00 174.62 173.65 1drs s GLU 15 N -1.57 2.81 -0.69 3.99 2.12 0.21 -4.86 118.70 120.71 1drs s GLU 15 Ca -0.05 -2.79 -0.27 0.00 0.36 0.00 0.00 54.97 52.22 1drs s GLU 15 Cb -0.10 -3.81 0.03 0.00 0.26 0.00 0.00 34.13 30.52 1drs s GLU 15 CO 0.01 -1.21 1.27 0.99 -0.54 0.00 0.00 175.26 175.78 1drs s THR 16 N -0.50 3.80 0.28 -1.70 2.01 -1.26 -2.68 115.64 115.58 1drs s THR 16 Ca 0.20 0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.82 1drs s THR 16 Cb -0.16 -4.84 -0.06 0.00 0.01 0.00 0.00 72.50 67.45 1drs s THR 16 CO -0.07 -1.69 -0.06 0.00 -0.69 0.00 0.00 174.62 172.11 1drs h GLN 18 N 2.29 0.00 -6.76 0.00 3.07 -1.94 0.26 115.11 112.03 1drs h GLN 18 Ca -0.40 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 57.83 1drs h GLN 18 Cb 1.23 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.82 1drs h GLN 18 CO 0.67 0.23 0.55 -1.21 0.09 0.00 0.00 178.83 179.16 1drs s GLU 19 N -3.09 4.51 0.21 0.06 0.41 -1.26 -4.16 118.70 115.39 1drs s GLU 19 Ca 0.01 1.93 -0.14 0.00 -0.41 0.00 0.00 54.97 56.37 1drs s GLU 19 Cb 0.08 -3.18 0.25 0.00 -1.78 0.00 0.00 34.13 29.49 1drs s GLU 19 CO 0.76 -0.01 1.61 -0.44 -0.49 0.00 0.00 175.26 176.70 1drs h ASP 20 N 4.37 -0.69 -4.28 -0.19 5.19 -1.91 0.57 116.42 119.48 1drs h ASP 20 Ca -0.46 0.21 -0.69 0.00 -0.62 0.00 0.00 57.03 55.46 1drs h ASP 20 Cb 1.22 0.44 -0.26 0.00 0.18 0.00 0.00 39.33 40.90 1drs h ASP 20 CO 0.70 -0.23 -0.82 -0.55 -3.12 0.00 0.00 179.24 175.22 1drs s SER 21 N -5.23 3.60 0.04 6.45 0.15 -1.26 -4.35 113.70 113.10 1drs s SER 21 Ca -0.14 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.21 1drs s SER 21 Cb 0.20 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1drs s SER 21 CO 0.74 0.33 -0.09 0.00 1.20 0.00 0.00 173.24 175.41 1drs s TYR 23 N -1.07 2.27 -0.24 0.00 -0.85 -0.21 -2.61 117.35 114.63 1drs s TYR 23 Ca -0.05 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 55.87 1drs s TYR 23 Cb -0.08 -1.36 0.02 0.00 0.38 0.00 0.00 41.96 40.92 1drs s TYR 23 CO 0.01 0.44 -0.06 0.15 -1.52 0.00 0.00 175.55 174.58 1drs s LYS 24 N -3.67 2.94 -0.17 -3.49 3.01 -0.27 -2.62 119.74 115.46 1drs s LYS 24 Ca 0.32 -0.91 0.01 0.00 -1.01 0.00 0.00 55.97 54.37 1drs s LYS 24 Cb 0.04 -3.00 0.01 0.00 -1.01 0.00 0.00 37.83 33.88 1drs s LYS 24 CO 0.15 -0.37 -0.17 1.21 0.51 0.00 0.00 175.35 176.68 1drs s ASN 25 N 1.36 3.38 0.00 2.83 2.47 -1.26 -2.64 114.94 121.07 1drs s ASN 25 Ca 0.01 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.72 1drs s ASN 25 Cb -0.16 -1.52 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 1drs s ASN 25 CO -0.04 0.03 0.00 2.30 -3.72 0.00 0.00 177.10 175.67 1drs n ILE 26 N 4.44 0.00 0.00 -5.21 -0.00 -1.26 -2.28 119.36 115.05 1drs n ILE 26 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1drs n ILE 26 Cb 0.51 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.94 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 -0.92 0.00 0.00 4.28 2.14 -1.26 -4.03 117.44 117.66 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 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.63 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 0.11 -1.67 5.66 -1.26 -1.64 114.28 115.47 1drs n THR 28 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1drs n THR 28 Cb 0.00 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.01 1drs n THR 28 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 175.07 174.21 1drs h PHE 29 N 0.00 0.23 0.00 1.09 -0.00 -2.00 -2.21 116.94 114.05 1drs h PHE 29 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.97 57.91 1drs h PHE 29 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 35.90 1drs h PHE 29 CO 0.00 0.59 0.00 -0.40 -0.00 0.00 0.00 178.31 178.50 1drs n ASP 30 N -4.02 0.00 -3.05 -0.68 5.75 -1.26 -4.98 116.55 108.32 1drs n ASP 30 Ca -0.02 -0.24 -0.05 0.00 -0.01 0.00 0.00 54.79 54.47 1drs n ASP 30 Cb 0.48 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.23 -7.61 -3.52 -1.12 5.15 -0.83 -5.04 115.26 101.06 1drs n ASN 31 Ca 0.14 0.08 -0.15 0.00 -0.60 0.00 0.00 54.58 54.04 1drs n ASN 31 Cb 0.18 -5.01 -0.05 0.00 -0.53 0.00 0.00 39.78 34.38 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 -2.82 0.01 -0.23 -1.44 1.10 -0.65 -5.03 121.20 112.14 1drs s ILE 32 Ca 0.10 -0.09 -0.21 0.00 -0.51 0.00 0.00 60.65 59.94 1drs s ILE 32 Cb -0.02 -0.98 -0.02 0.00 0.15 0.00 0.00 42.46 41.58 1drs s ILE 32 CO 0.77 -0.05 0.64 -0.63 -2.11 0.00 0.00 174.94 173.56 1drs s ILE 33 N -2.15 5.00 -0.34 2.00 1.01 -1.26 -4.30 121.20 121.16 1drs s ILE 33 Ca -0.07 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.79 1drs s ILE 33 Cb -0.01 -3.95 0.19 0.00 0.01 0.00 0.00 42.46 38.71 1drs s ILE 33 CO 0.01 0.06 0.70 -0.60 0.00 0.00 0.00 174.94 175.12 1drs s ARG 34 N 2.22 0.56 0.00 2.79 3.52 -0.97 -4.62 118.95 122.46 1drs s ARG 34 Ca 0.28 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1drs s ARG 34 Cb -0.16 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1drs s ARG 34 CO 0.09 -0.93 0.00 2.89 -0.81 0.00 0.00 175.30 176.55 1drs n ARG 35 N 4.87 0.11 -3.74 5.12 1.85 -1.26 -4.65 116.66 118.97 1drs n ARG 35 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1drs n ARG 35 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1drs n GLY 36 N 0.27 -0.95 3.69 2.89 0.00 -1.08 -4.11 105.19 105.90 1drs n GLY 36 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 3.11 -2.12 4.86 0.00 0.00 -1.09 -4.99 105.19 104.96 1drs n GLY 38 Ca 0.06 0.66 0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.31 -1.75 -3.69 0.00 3.72 -1.26 -5.02 117.46 108.16 1drs n PHE 40 Ca 0.00 0.58 -0.39 0.00 -0.05 0.00 0.00 57.45 57.59 1drs n PHE 40 Cb 0.09 -3.61 -0.12 0.00 -0.94 0.00 0.00 39.48 34.90 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 -3.14 4.19 0.04 4.37 -1.32 -1.26 -5.09 115.64 113.44 1drs s THR 41 Ca 0.34 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.65 1drs s THR 41 Cb -0.15 -3.29 -0.05 0.00 -1.51 0.00 0.00 72.50 67.50 1drs s THR 41 CO 0.42 -0.12 1.12 -2.16 -2.21 0.00 0.00 174.62 171.67 1drs s PRO 42 N 1.50 4.48 -0.28 7.08 0.04 -1.26 -5.01 135.00 141.55 1drs s PRO 42 Ca 0.01 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1drs s PRO 42 Cb -0.19 -3.38 0.11 0.00 0.04 0.00 0.00 34.50 31.08 1drs s PRO 42 CO 0.04 -0.17 0.93 -0.98 0.04 0.00 0.00 177.00 176.86 1drs s ARG 43 N 1.00 0.60 0.00 4.56 1.70 -1.26 -4.89 118.95 120.67 1drs s ARG 43 Ca 0.56 0.74 0.00 0.00 -0.47 0.00 0.00 55.73 56.56 1drs s ARG 43 Cb -0.26 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1drs s ARG 43 CO 0.29 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 1drs n GLY 44 N 2.48 0.41 2.27 3.88 0.00 -1.26 -4.79 105.19 108.18 1drs n GLY 44 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1drs n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1drs n ASP 45 N -1.39 0.13 -4.94 1.61 2.03 -1.26 -5.13 116.55 107.61 1drs n ASP 45 Ca 0.00 -2.99 -0.20 0.00 0.52 0.00 0.00 54.79 52.12 1drs n ASP 45 Cb 0.00 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1drs s MET 46 N -1.63 2.98 0.71 -0.67 -2.45 -1.26 -5.09 119.30 111.89 1drs s MET 46 Ca 0.36 -1.11 -0.16 0.00 -1.25 0.00 0.00 55.69 53.53 1drs s MET 46 Cb 0.28 -2.70 0.02 0.00 1.25 0.00 0.00 34.83 33.69 1drs s MET 46 CO -0.10 0.08 1.16 -2.30 1.05 0.00 0.00 175.02 174.92 1drs n PRO 47 N -1.54 0.67 0.00 4.11 -0.02 -1.26 -4.87 135.00 132.10 1drs n PRO 47 Ca -0.01 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1drs n PRO 47 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1drs n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1drs n GLY 48 N 0.88 2.57 3.87 -1.23 0.00 -1.26 -4.97 105.19 105.05 1drs n GLY 48 Ca 0.14 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1drs n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1drs s PRO 49 N -2.74 3.64 0.25 1.61 0.04 -1.26 -5.06 135.00 131.49 1drs s PRO 49 Ca 0.00 0.74 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 1drs s PRO 49 Cb 0.00 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1drs s PRO 49 CO 0.00 -0.50 0.86 1.52 0.04 0.00 0.00 177.00 178.91 1drs s TYR 50 N -3.07 3.77 0.11 0.56 -0.85 -1.08 -4.87 117.35 111.92 1drs s TYR 50 Ca 0.55 1.68 0.07 0.00 -0.52 0.00 0.00 57.07 58.85 1drs s TYR 50 Cb -0.11 -2.83 -0.04 0.00 0.38 0.00 0.00 41.96 39.37 1drs s TYR 50 CO 0.50 0.34 -0.16 0.00 -1.52 0.00 0.00 175.55 174.71 1drs n GLU 53 N -0.56 1.80 -4.43 0.00 0.00 -1.26 -1.70 120.64 114.49 1drs n GLU 53 Ca -0.06 -3.28 -0.21 0.00 0.00 0.00 0.00 57.16 53.61 1drs n GLU 53 Cb 0.63 -1.44 -0.10 0.00 0.00 0.00 0.00 31.44 30.52 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -3.15 2.18 -0.14 -1.84 0.15 -1.26 -4.88 113.70 104.76 1drs s SER 54 Ca 0.39 -1.40 -0.29 0.00 0.70 0.00 0.00 55.95 55.34 1drs s SER 54 Cb 0.38 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1drs s SER 54 CO -0.06 -0.65 1.18 -0.62 1.20 0.00 0.00 173.24 174.29 1drs s ASP 55 N -3.46 7.03 0.00 5.45 2.15 -1.26 -4.01 116.67 122.57 1drs s ASP 55 Ca 0.36 1.65 0.00 0.00 0.43 0.00 0.00 52.55 54.99 1drs s ASP 55 Cb 0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1drs s ASP 55 CO 0.15 -0.66 0.00 0.29 -0.17 0.00 0.00 175.17 174.78 1drs n LYS 56 N 5.99 0.00 -3.84 4.34 4.76 -1.18 -4.69 118.16 123.54 1drs n LYS 56 Ca 0.12 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.23 1drs n LYS 56 Cb 0.46 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.67 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 -2.67 -5.03 0.00 0.00 3.02 -1.26 -4.98 115.26 104.34 1drs n ASN 58 Ca -0.16 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1drs n ASN 58 Cb 0.61 -3.25 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82