#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 5.07 0.02 5.15 1.01 -1.26 -2.20 121.20 129.00 1drs s ILE 2 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.71 1drs s ILE 2 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1drs s ILE 2 CO 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 174.94 175.03 1drs s TYR 4 N -1.06 3.07 -0.37 0.00 2.02 -1.26 -1.13 117.35 118.61 1drs s TYR 4 Ca -0.09 0.56 0.13 0.00 -0.37 0.00 0.00 57.07 57.30 1drs s TYR 4 Cb -0.08 -3.02 0.40 0.00 -0.40 0.00 0.00 41.96 38.86 1drs s TYR 4 CO -0.00 -1.18 0.98 -1.71 -1.57 0.00 0.00 175.55 172.07 1drs n ASN 5 N -2.80 0.13 -3.16 2.29 5.15 -1.04 -4.03 115.26 111.79 1drs n ASN 5 Ca 0.07 -2.89 -0.15 0.00 -0.60 0.00 0.00 54.58 51.00 1drs n ASN 5 Cb 0.59 0.06 0.10 0.00 -0.53 0.00 0.00 39.78 40.00 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 0.00 -3.74 -3.65 1.20 8.25 -1.24 -4.60 115.22 111.44 1drs n HIS 6 Ca 0.11 -0.75 0.01 0.00 -0.26 0.00 0.00 57.72 56.84 1drs n HIS 6 Cb 0.76 -0.52 -0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.81 -4.51 117.00 118.85 1drs n LEU 7 Ca 0.09 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1drs n LEU 7 Cb 0.32 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1drs n LEU 7 CO 0.23 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 1drs n GLY 8 N -0.40 2.89 0.00 -0.72 0.00 -1.26 -4.03 105.19 101.66 1drs n GLY 8 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.35 2.61 -1.04 -1.26 -5.11 114.28 106.13 1drs n THR 9 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1drs n THR 9 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 3.78 0.00 -2.82 -0.14 -1.26 -5.09 119.74 114.21 1drs s LYS 10 Ca 0.00 0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.90 1drs s LYS 10 Cb 0.00 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 33.58 1drs s LYS 10 CO 0.00 0.27 0.87 -0.35 -0.76 0.00 0.00 175.35 175.38 1drs n PRO 11 N -0.35 1.55 0.03 -1.68 -0.04 -1.26 -1.93 135.00 131.31 1drs n PRO 11 Ca 0.00 -1.24 0.10 0.00 -0.04 0.00 0.00 63.50 62.32 1drs n PRO 11 Cb 0.53 -1.06 0.42 0.00 -0.04 0.00 0.00 33.50 33.36 1drs n PRO 11 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1drs n PRO 12 N -0.11 0.06 -4.39 0.54 -0.02 -1.26 -4.80 135.00 125.02 1drs n PRO 12 Ca 0.02 0.22 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 1drs n PRO 12 Cb 0.20 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 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 -3.06 2.81 0.04 3.45 -4.23 -1.26 -5.10 115.64 108.29 1drs s THR 13 Ca 0.09 -2.13 -0.07 0.00 -1.18 0.00 0.00 61.69 58.40 1drs s THR 13 Cb 0.12 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 1drs s THR 13 CO 0.38 -0.33 0.12 0.42 -0.54 0.00 0.00 174.62 174.67 1drs s THR 14 N -2.46 0.13 -0.65 3.99 -4.23 -1.26 -2.50 115.64 108.67 1drs s THR 14 Ca 0.32 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 1drs s THR 14 Cb -0.04 -0.99 0.17 0.00 1.34 0.00 0.00 72.50 72.98 1drs s THR 14 CO 0.18 -0.60 0.52 -1.61 -0.54 0.00 0.00 174.62 172.56 1drs s GLU 15 N -2.82 2.88 -0.06 3.99 0.41 -0.29 -4.88 118.70 117.92 1drs s GLU 15 Ca -0.03 -2.29 -0.30 0.00 -0.41 0.00 0.00 54.97 51.94 1drs s GLU 15 Cb 0.00 -4.02 -0.05 0.00 -1.78 0.00 0.00 34.13 28.29 1drs s GLU 15 CO -0.05 -1.22 1.57 0.99 -0.49 0.00 0.00 175.26 176.05 1drs s THR 16 N 0.42 3.69 0.00 3.63 2.01 -1.26 -2.61 115.64 121.52 1drs s THR 16 Ca 0.14 0.87 0.03 0.00 0.31 0.00 0.00 61.69 63.04 1drs s THR 16 Cb -0.19 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1drs s THR 16 CO -0.04 -0.07 -0.09 0.00 -0.69 0.00 0.00 174.62 173.73 1drs n GLN 18 N 2.59 0.44 -2.29 0.00 6.02 -1.26 0.42 117.38 123.30 1drs n GLN 18 Ca -0.15 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.34 1drs n GLN 18 Cb 0.56 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1drs s GLU 19 N -3.32 4.29 0.00 -1.09 2.02 -1.26 -4.70 118.70 114.64 1drs s GLU 19 Ca -0.01 1.88 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1drs s GLU 19 Cb 0.14 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1drs s GLU 19 CO 0.86 -0.57 0.20 -0.25 0.02 0.00 0.00 175.26 175.51 1drs n ASP 20 N 5.56 0.06 -3.77 -0.19 8.00 -1.26 -3.60 116.55 121.35 1drs n ASP 20 Ca 0.13 -0.46 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 1drs n ASP 20 Cb 0.44 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1drs s SER 21 N -1.51 -0.27 0.05 -2.24 0.01 -1.26 -4.67 113.70 103.81 1drs s SER 21 Ca 0.00 0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1drs s SER 21 Cb 0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 1drs s SER 21 CO 0.00 -0.26 -0.07 0.00 0.41 0.00 0.00 173.24 173.33 1drs s TYR 23 N -1.99 2.02 -0.19 0.00 1.13 -0.33 -1.49 117.35 116.49 1drs s TYR 23 Ca -0.05 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 55.17 1drs s TYR 23 Cb -0.06 -0.99 -0.00 0.00 -1.10 0.00 0.00 41.96 39.81 1drs s TYR 23 CO -0.01 0.43 -0.10 0.15 -2.51 0.00 0.00 175.55 173.51 1drs s LYS 24 N -2.86 3.30 -0.12 -3.49 -0.14 -0.57 -2.68 119.74 113.17 1drs s LYS 24 Ca 0.19 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 1drs s LYS 24 Cb -0.06 -2.82 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 1drs s LYS 24 CO 0.09 -0.10 -0.12 1.21 -0.76 0.00 0.00 175.35 175.67 1drs s ASN 25 N 1.17 2.33 0.00 2.83 2.47 -1.26 -2.92 114.94 119.56 1drs s ASN 25 Ca 0.02 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.91 1drs s ASN 25 Cb -0.14 -0.99 0.00 0.00 -1.45 0.00 0.00 41.25 38.67 1drs s ASN 25 CO -0.03 -0.06 0.00 2.30 -3.72 0.00 0.00 177.10 175.59 1drs n ILE 26 N 4.62 0.00 0.00 -5.21 -0.00 -1.26 -2.17 119.36 115.33 1drs n ILE 26 Ca -0.16 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.44 1drs n ILE 26 Cb 0.50 0.69 0.00 0.00 -0.00 0.00 0.00 39.64 40.83 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 -0.59 0.00 0.00 4.28 2.14 -1.24 -4.34 117.44 117.68 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 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 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 -0.04 -1.67 5.66 -1.26 -1.59 114.28 115.37 1drs n THR 28 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1drs n THR 28 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1drs n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1drs h PHE 29 N 0.00 -0.08 0.00 1.09 3.04 -2.01 -2.36 116.94 116.62 1drs h PHE 29 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1drs h PHE 29 Cb 0.00 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1drs h PHE 29 CO 0.00 -0.07 0.00 -0.40 -2.02 0.00 0.00 178.31 175.82 1drs n ASP 30 N -5.18 0.00 -2.56 0.41 5.68 -1.26 -4.98 116.55 108.66 1drs n ASP 30 Ca -0.02 0.08 -0.05 0.00 -0.50 0.00 0.00 54.79 54.30 1drs n ASP 30 Cb 0.12 -0.32 0.01 0.00 -1.14 0.00 0.00 41.12 39.79 1drs n ASP 30 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1drs n ASN 31 N -1.32 -6.76 -3.74 -1.12 5.15 -0.89 -5.07 115.26 101.51 1drs n ASN 31 Ca 0.09 0.56 -0.05 0.00 -0.60 0.00 0.00 54.58 54.57 1drs n ASN 31 Cb 0.17 -4.50 -0.02 0.00 -0.53 0.00 0.00 39.78 34.90 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 -2.11 0.00 -0.46 -1.44 1.10 -0.62 -5.03 121.20 112.64 1drs s ILE 32 Ca 0.16 -0.64 -0.12 0.00 -0.51 0.00 0.00 60.65 59.54 1drs s ILE 32 Cb -0.05 -1.84 0.09 0.00 0.15 0.00 0.00 42.46 40.82 1drs s ILE 32 CO 0.62 0.00 0.35 -0.63 -2.11 0.00 0.00 174.94 173.16 1drs s ILE 33 N -3.45 4.64 -0.13 2.00 1.09 -1.26 -3.70 121.20 120.39 1drs s ILE 33 Ca 0.11 -1.39 -0.05 0.00 -1.10 0.00 0.00 60.65 58.22 1drs s ILE 33 Cb -0.02 -3.87 0.06 0.00 -1.06 0.00 0.00 42.46 37.56 1drs s ILE 33 CO 0.01 -0.62 0.26 -0.60 -0.10 0.00 0.00 174.94 173.89 1drs s ARG 34 N 1.50 0.16 0.05 2.79 3.52 -0.92 -4.68 118.95 121.36 1drs s ARG 34 Ca 0.04 0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1drs s ARG 34 Cb -0.25 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.10 1drs s ARG 34 CO 0.03 -0.27 0.08 2.89 -0.81 0.00 0.00 175.30 177.23 1drs n ARG 35 N 5.19 0.12 -0.41 5.12 -4.01 -1.26 -4.47 116.66 116.95 1drs n ARG 35 Ca -0.09 -0.29 0.00 0.00 -1.04 0.00 0.00 57.85 56.43 1drs n ARG 35 Cb 0.50 0.33 0.00 0.00 -3.04 0.00 0.00 32.46 30.25 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 -0.07 2.11 3.20 2.89 0.00 -1.09 -4.12 105.19 108.11 1drs n GLY 36 Ca -0.01 -0.79 -0.34 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 4.67 -1.23 7.00 0.00 0.00 -1.02 -5.00 105.19 109.61 1drs n GLY 38 Ca -0.17 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.41 -2.46 0.00 3.72 -1.26 -4.96 117.46 110.09 1drs n PHE 40 Ca 0.00 0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 57.82 1drs n PHE 40 Cb 0.00 -4.39 -0.03 0.00 -0.94 0.00 0.00 39.48 34.12 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -3.26 4.25 0.54 4.37 -4.23 -1.26 -5.00 115.64 111.04 1drs s THR 41 Ca 0.49 1.58 -0.20 0.00 -1.18 0.00 0.00 61.69 62.37 1drs s THR 41 Cb -0.21 -4.01 -0.05 0.00 1.34 0.00 0.00 72.50 69.56 1drs s THR 41 CO 0.60 0.01 1.20 -2.84 -0.54 0.00 0.00 174.62 173.05 1drs s PRO 42 N 2.07 3.30 -1.27 3.99 0.02 -1.26 -4.92 135.00 136.93 1drs s PRO 42 Ca 0.56 1.82 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 1drs s PRO 42 Cb -0.25 -2.12 0.17 0.00 0.02 0.00 0.00 34.50 32.31 1drs s PRO 42 CO 0.23 -0.94 1.81 -2.13 -0.33 0.00 0.00 177.00 175.64 1drs n ARG 43 N -1.14 3.59 -2.53 5.54 3.00 -1.26 -4.52 116.66 119.34 1drs n ARG 43 Ca 0.11 -3.57 -0.26 0.00 -0.00 0.00 0.00 57.85 54.13 1drs n ARG 43 Cb 0.49 -2.94 -0.00 0.00 0.00 0.00 0.00 32.46 30.00 1drs n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1drs n GLY 44 N 2.99 5.70 3.45 5.14 0.00 -1.26 -4.93 105.19 116.29 1drs n GLY 44 Ca 0.39 -2.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 1drs n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1drs n ASP 45 N -0.43 -2.71 -3.88 1.61 9.92 -1.26 -5.01 116.55 114.78 1drs n ASP 45 Ca 0.37 -0.68 -0.30 0.00 -0.53 0.00 0.00 54.79 53.64 1drs n ASP 45 Cb 0.65 -4.91 -0.15 0.00 -0.64 0.00 0.00 41.12 36.07 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1drs s MET 46 N -5.33 1.20 -0.24 -1.24 1.75 -1.26 -5.12 119.30 109.06 1drs s MET 46 Ca 0.09 -1.27 -0.25 0.00 -1.25 0.00 0.00 55.69 53.01 1drs s MET 46 Cb -0.01 -2.53 -0.00 0.00 2.84 0.00 0.00 34.83 35.13 1drs s MET 46 CO 0.75 -0.85 0.85 -2.14 -0.65 0.00 0.00 175.02 172.98 1drs s PRO 47 N 1.35 4.20 -0.39 4.11 0.02 -1.26 -4.93 135.00 138.10 1drs s PRO 47 Ca 0.05 0.99 0.02 0.00 0.02 0.00 0.00 61.00 62.08 1drs s PRO 47 Cb -0.18 -3.64 0.12 0.00 0.02 0.00 0.00 34.50 30.81 1drs s PRO 47 CO -0.14 -0.52 0.17 0.20 -0.33 0.00 0.00 177.00 176.37 1drs s GLY 48 N 1.32 1.56 0.00 0.52 0.00 -1.26 -5.08 107.32 104.38 1drs s GLY 48 Ca 0.36 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 42.75 1drs s GLY 48 CO 0.07 1.45 0.00 -1.05 0.00 0.00 0.00 173.10 173.57 1drs n PRO 49 N 4.04 0.00 -3.74 2.90 -0.02 -1.26 -4.73 135.00 132.19 1drs n PRO 49 Ca 0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.40 1drs n PRO 49 Cb 0.38 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.75 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1drs s TYR 50 N 0.00 -0.42 0.16 6.00 1.13 -1.15 -5.00 117.35 118.08 1drs s TYR 50 Ca 0.00 0.97 0.11 0.00 -1.41 0.00 0.00 57.07 56.73 1drs s TYR 50 Cb 0.00 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 1drs s TYR 50 CO 0.00 -0.23 -0.24 0.00 -2.51 0.00 0.00 175.55 172.57 1drs n GLU 53 N -0.74 1.19 -4.57 0.00 0.00 -1.26 -1.61 120.64 113.64 1drs n GLU 53 Ca -0.01 -2.46 -0.26 0.00 0.00 0.00 0.00 57.16 54.42 1drs n GLU 53 Cb 0.65 -0.64 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1drs n GLU 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1drs s SER 54 N -2.59 3.27 -0.29 -1.84 0.01 -1.26 -4.93 113.70 106.07 1drs s SER 54 Ca 0.21 -1.46 -0.29 0.00 1.31 0.00 0.00 55.95 55.73 1drs s SER 54 Cb 0.34 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 1drs s SER 54 CO -0.08 -0.63 1.55 -0.62 0.41 0.00 0.00 173.24 173.86 1drs s ASP 55 N -3.65 6.34 0.00 2.44 2.15 -1.26 -3.96 116.67 118.73 1drs s ASP 55 Ca 0.29 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.60 1drs s ASP 55 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1drs s ASP 55 CO 0.14 -1.34 0.00 0.29 -0.17 0.00 0.00 175.17 174.09 1drs n LYS 56 N 7.82 0.00 -3.32 4.34 4.01 -1.14 -4.70 118.16 125.16 1drs n LYS 56 Ca 0.18 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.81 1drs n LYS 56 Cb 0.46 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.04 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1drs n ASN 58 N -2.98 -5.40 0.00 0.00 3.02 -1.26 -5.01 115.26 103.63 1drs n ASN 58 Ca -0.07 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1drs n ASN 58 Cb 0.60 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82