#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 1.55 0.39 0.55 1.01 -1.26 -0.60 121.20 122.84 1drs s ILE 2 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1drs s ILE 2 Cb 0.00 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1drs s ILE 2 CO 0.00 0.45 0.18 0.00 0.00 0.00 0.00 174.94 175.57 1drs s TYR 4 N -3.27 3.18 0.00 0.00 1.51 -1.26 -0.45 117.35 117.06 1drs s TYR 4 Ca 0.28 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1drs s TYR 4 Cb 0.02 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1drs s TYR 4 CO 0.18 -0.18 0.68 0.27 -1.11 0.00 0.00 175.55 175.39 1drs n ASN 5 N -1.87 0.00 -2.83 2.29 6.94 -0.68 -3.14 115.26 115.98 1drs n ASN 5 Ca 0.00 -1.46 -0.09 0.00 -0.02 0.00 0.00 54.58 53.01 1drs n ASN 5 Cb 0.58 -0.09 0.08 0.00 -2.36 0.00 0.00 39.78 37.98 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 0.00 -3.29 -0.48 -2.53 8.25 -1.16 -4.30 115.22 111.72 1drs n HIS 6 Ca 0.00 -0.31 0.06 0.00 -0.26 0.00 0.00 57.72 57.21 1drs n HIS 6 Cb 0.59 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.24 0.00 2.41 4.77 -0.69 -4.30 117.00 118.96 1drs n LEU 7 Ca 0.05 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1drs n LEU 7 Cb 0.18 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 1drs n LEU 7 CO 0.13 -1.28 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 1drs n GLY 8 N -2.13 1.98 1.25 -0.72 0.00 -1.26 -3.64 105.19 100.68 1drs n GLY 8 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.95 2.61 -1.04 -1.26 -5.11 114.28 105.53 1drs n THR 9 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1drs n THR 9 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1drs n THR 9 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1drs s LYS 10 N -1.69 3.36 1.10 -2.82 2.20 -1.24 -5.12 119.74 115.53 1drs s LYS 10 Ca 0.00 -0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 1drs s LYS 10 Cb 0.00 -3.09 0.22 0.00 -1.51 0.00 0.00 37.83 33.46 1drs s LYS 10 CO 0.00 0.72 0.90 -2.30 -0.36 0.00 0.00 175.35 174.31 1drs n PRO 11 N 1.54 -1.81 -0.81 4.03 -0.02 -1.26 -1.70 135.00 134.97 1drs n PRO 11 Ca -0.16 -0.49 -0.32 0.00 -2.02 0.00 0.00 63.50 60.51 1drs n PRO 11 Cb 0.54 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1drs n PRO 11 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1drs n PRO 12 N -4.31 0.00 -3.49 0.52 -0.02 -1.26 -4.59 135.00 121.85 1drs n PRO 12 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 1drs n PRO 12 Cb 0.54 -0.80 -0.04 0.00 -0.02 0.00 0.00 33.50 33.18 1drs n PRO 12 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1drs s THR 13 N 0.13 0.00 0.06 3.45 2.01 -1.26 -4.99 115.64 115.03 1drs s THR 13 Ca 0.49 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 1drs s THR 13 Cb -0.69 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1drs s THR 13 CO 0.31 0.00 0.07 0.42 -0.69 0.00 0.00 174.62 174.74 1drs s THR 14 N -2.23 0.17 -0.16 -0.82 -4.23 -1.26 -1.69 115.64 105.42 1drs s THR 14 Ca -0.04 -1.41 -0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1drs s THR 14 Cb -0.00 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.60 1drs s THR 14 CO -0.01 -0.78 -0.07 -1.61 -0.54 0.00 0.00 174.62 171.61 1drs s GLU 15 N -3.52 1.66 -0.08 3.99 2.02 0.40 -4.88 118.70 118.28 1drs s GLU 15 Ca 0.03 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 1drs s GLU 15 Cb 0.04 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1drs s GLU 15 CO -0.09 -0.39 1.14 0.99 0.02 0.00 0.00 175.26 176.93 1drs s THR 16 N 1.58 4.42 -0.02 3.63 2.01 -1.26 -2.65 115.64 123.34 1drs s THR 16 Ca 0.01 1.73 0.06 0.00 0.31 0.00 0.00 61.69 63.80 1drs s THR 16 Cb -0.15 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 1drs s THR 16 CO -0.08 -0.01 -0.22 0.00 -0.69 0.00 0.00 174.62 173.62 1drs n GLN 18 N 2.65 0.66 -2.65 0.00 0.00 -1.26 -0.53 117.38 116.25 1drs n GLN 18 Ca -0.16 -0.14 -0.43 0.00 0.00 0.00 0.00 57.00 56.28 1drs n GLN 18 Cb 0.52 -1.54 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1drs s GLU 19 N -3.31 3.59 0.00 2.61 2.02 -1.26 -4.91 118.70 117.44 1drs s GLU 19 Ca -0.08 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1drs s GLU 19 Cb 0.12 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1drs s GLU 19 CO 0.89 -1.48 0.04 -0.25 0.02 0.00 0.00 175.26 174.48 1drs n ASP 20 N 7.93 0.00 -3.71 -0.19 9.92 -1.26 -4.59 116.55 124.65 1drs n ASP 20 Ca 0.09 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.24 1drs n ASP 20 Cb 0.49 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.85 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1drs s SER 21 N -0.87 -0.43 0.01 -2.24 0.15 -1.26 -4.79 113.70 104.28 1drs s SER 21 Ca 0.00 0.77 0.02 0.00 0.70 0.00 0.00 55.95 57.43 1drs s SER 21 Cb 0.00 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1drs s SER 21 CO 0.00 -0.18 -0.06 0.00 1.20 0.00 0.00 173.24 174.21 1drs s TYR 23 N -0.63 1.74 -0.01 0.00 -0.85 -0.33 -2.39 117.35 114.87 1drs s TYR 23 Ca -0.03 -0.67 -0.15 0.00 -0.52 0.00 0.00 57.07 55.70 1drs s TYR 23 Cb -0.05 -0.90 -0.06 0.00 0.38 0.00 0.00 41.96 41.33 1drs s TYR 23 CO 0.00 0.27 0.41 0.15 -1.52 0.00 0.00 175.55 174.85 1drs s LYS 24 N -3.70 3.95 -0.06 -3.49 -0.14 -0.24 -2.65 119.74 113.40 1drs s LYS 24 Ca 0.25 0.40 -0.01 0.00 -1.36 0.00 0.00 55.97 55.25 1drs s LYS 24 Cb 0.02 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1drs s LYS 24 CO 0.08 0.65 -0.00 1.21 -0.76 0.00 0.00 175.35 176.53 1drs s ASN 25 N -0.93 1.29 0.00 2.83 2.47 -1.26 -1.96 114.94 117.38 1drs s ASN 25 Ca 0.24 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1drs s ASN 25 Cb -0.16 -0.39 0.00 0.00 -1.45 0.00 0.00 41.25 39.25 1drs s ASN 25 CO 0.13 -0.16 0.00 2.30 -3.72 0.00 0.00 177.10 175.64 1drs n ILE 26 N 4.85 0.00 0.00 -5.21 -0.00 -1.26 -1.98 119.36 115.75 1drs n ILE 26 Ca -0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1drs n ILE 26 Cb 0.50 0.38 0.00 0.00 -0.00 0.00 0.00 39.64 40.52 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 -0.39 0.00 -0.07 4.28 2.14 -1.26 -4.14 117.44 118.00 1drs n TRP 27 Ca 0.00 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.58 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 -0.05 -0.11 -1.67 5.66 -1.26 -2.24 114.28 114.60 1drs n THR 28 Ca 0.00 0.05 -0.11 0.00 -3.05 0.00 0.00 64.05 60.94 1drs n THR 28 Cb 0.00 -0.07 0.02 0.00 -1.55 0.00 0.00 70.33 68.72 1drs n THR 28 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1drs h PHE 29 N -0.07 1.04 0.00 1.09 0.04 -2.00 -3.03 116.94 114.01 1drs h PHE 29 Ca -0.01 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1drs h PHE 29 Cb 0.07 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1drs h PHE 29 CO 0.00 1.08 0.00 -0.40 -0.60 0.00 0.00 178.31 178.39 1drs n ASP 30 N -4.08 0.00 -2.58 2.17 5.75 -1.26 -4.99 116.55 111.56 1drs n ASP 30 Ca -0.01 -0.15 -0.02 0.00 -0.01 0.00 0.00 54.79 54.60 1drs n ASP 30 Cb 0.50 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.26 -6.31 -3.61 -1.12 5.15 -1.14 -5.06 115.26 101.91 1drs n ASN 31 Ca 0.13 0.13 -0.06 0.00 -0.60 0.00 0.00 54.58 54.18 1drs n ASN 31 Cb 0.20 -4.19 -0.02 0.00 -0.53 0.00 0.00 39.78 35.24 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 -2.66 0.00 -0.52 -1.44 1.10 -0.95 -5.06 121.20 111.66 1drs s ILE 32 Ca 0.08 -0.28 -0.15 0.00 -0.51 0.00 0.00 60.65 59.79 1drs s ILE 32 Cb -0.02 -1.43 0.12 0.00 0.15 0.00 0.00 42.46 41.28 1drs s ILE 32 CO 0.56 0.00 0.46 -0.63 -2.11 0.00 0.00 174.94 173.22 1drs s ILE 33 N -3.18 5.07 -0.23 2.00 1.09 -1.26 -4.06 121.20 120.63 1drs s ILE 33 Ca 0.08 -1.48 -0.03 0.00 -1.10 0.00 0.00 60.65 58.12 1drs s ILE 33 Cb -0.01 -4.23 0.11 0.00 -1.06 0.00 0.00 42.46 37.28 1drs s ILE 33 CO -0.04 -0.81 0.28 -0.60 -0.10 0.00 0.00 174.94 173.67 1drs s ARG 34 N 1.57 0.26 0.00 2.79 3.52 -0.84 -4.59 118.95 121.66 1drs s ARG 34 Ca 0.03 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1drs s ARG 34 Cb -0.29 -0.90 -0.00 0.00 -1.56 0.00 0.00 34.95 32.20 1drs s ARG 34 CO 0.03 -0.71 0.00 2.89 -0.81 0.00 0.00 175.30 176.70 1drs n ARG 35 N 5.33 0.00 -3.37 5.12 1.85 -1.26 -4.53 116.66 119.81 1drs n ARG 35 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1drs n ARG 35 Cb 0.49 0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 -0.01 -0.84 3.56 2.89 0.00 -1.08 -4.10 105.19 105.61 1drs n GLY 36 Ca 0.00 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 4.79 -1.50 4.50 0.00 0.00 -1.09 -5.02 105.19 106.86 1drs n GLY 38 Ca 0.03 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 4.84 -3.82 0.00 3.72 -1.26 -4.89 117.46 116.05 1drs n PHE 40 Ca 0.00 -3.17 -0.35 0.00 -0.05 0.00 0.00 57.45 53.88 1drs n PHE 40 Cb 0.00 -2.35 -0.12 0.00 -0.94 0.00 0.00 39.48 36.07 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 2.50 3.13 -1.35 4.37 -1.32 -1.26 -5.02 115.64 116.69 1drs s THR 41 Ca 0.47 -2.20 -0.10 0.00 -1.21 0.00 0.00 61.69 58.64 1drs s THR 41 Cb -0.00 -3.16 0.12 0.00 -1.51 0.00 0.00 72.50 67.95 1drs s THR 41 CO 0.03 -0.69 2.04 -0.81 -2.21 0.00 0.00 174.62 172.98 1drs n PRO 42 N 4.42 3.45 -3.73 7.08 -0.04 -1.26 -4.86 135.00 140.06 1drs n PRO 42 Ca -0.00 -3.21 -0.12 0.00 -0.04 0.00 0.00 63.50 60.12 1drs n PRO 42 Cb 0.41 -3.01 -0.13 0.00 -0.04 0.00 0.00 33.50 30.73 1drs n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1drs s ARG 43 N 1.17 0.21 0.01 0.54 0.52 -1.26 -5.05 118.95 115.09 1drs s ARG 43 Ca 0.43 0.53 0.12 0.00 -0.52 0.00 0.00 55.73 56.29 1drs s ARG 43 Cb 0.12 -0.12 -0.21 0.00 0.52 0.00 0.00 34.95 35.25 1drs s ARG 43 CO -0.03 -0.16 0.85 0.78 0.02 0.00 0.00 175.30 176.76 1drs h GLY 44 N 7.20 0.00 -3.97 -3.53 0.00 -2.04 -3.38 103.07 97.35 1drs h GLY 44 Ca -0.41 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.32 1drs h GLY 44 CO 0.37 0.00 0.76 2.09 0.00 0.00 0.00 176.54 179.76 1drs n ASP 45 N -3.12 5.90 -3.41 0.19 5.75 -1.26 -4.66 116.55 115.94 1drs n ASP 45 Ca -0.12 -3.71 -0.18 0.00 -0.01 0.00 0.00 54.79 50.78 1drs n ASP 45 Cb 1.00 -0.91 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1drs s MET 46 N -3.59 0.31 0.08 0.11 0.00 -1.26 -5.13 119.30 109.81 1drs s MET 46 Ca 0.61 -0.11 -0.31 0.00 0.00 0.00 0.00 55.69 55.87 1drs s MET 46 Cb 0.49 -0.72 -0.10 0.00 0.00 0.00 0.00 34.83 34.50 1drs s MET 46 CO 0.04 -0.99 1.88 -2.30 0.00 0.00 0.00 175.02 173.65 1drs n PRO 47 N 5.31 2.73 -2.80 4.11 -0.02 -1.26 -4.87 135.00 138.19 1drs n PRO 47 Ca -0.03 1.00 -0.22 0.00 -2.02 0.00 0.00 63.50 62.23 1drs n PRO 47 Cb 0.46 -2.90 0.02 0.00 -0.02 0.00 0.00 33.50 31.07 1drs n PRO 47 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1drs s GLY 48 N 3.33 1.73 0.68 -1.23 0.00 -1.26 -5.12 107.32 105.45 1drs s GLY 48 Ca 0.85 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 1drs s GLY 48 CO 0.40 -1.00 1.00 2.56 0.00 0.00 0.00 173.10 176.06 1drs s PRO 49 N -4.65 2.39 -0.36 2.90 0.04 -1.26 -5.04 135.00 129.01 1drs s PRO 49 Ca 0.53 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.18 1drs s PRO 49 Cb -0.10 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1drs s PRO 49 CO 0.38 -1.12 0.89 -0.47 0.04 0.00 0.00 177.00 176.72 1drs s TYR 50 N -3.21 3.09 0.21 0.56 5.04 -0.83 -4.98 117.35 117.23 1drs s TYR 50 Ca 0.59 0.73 0.09 0.00 -2.44 0.00 0.00 57.07 56.04 1drs s TYR 50 Cb -0.11 -3.58 -0.04 0.00 0.35 0.00 0.00 41.96 38.58 1drs s TYR 50 CO 0.45 -0.79 -0.02 0.00 -1.34 0.00 0.00 175.55 173.85 1drs n GLU 53 N -0.16 2.63 -3.97 0.00 0.00 -1.26 -1.68 120.64 116.20 1drs n GLU 53 Ca -0.10 -3.95 -0.11 0.00 0.00 0.00 0.00 57.16 52.99 1drs n GLU 53 Cb 0.60 -1.90 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 1drs n GLU 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1drs s SER 54 N -3.49 0.28 -0.41 -1.84 1.04 -1.26 -5.02 113.70 102.99 1drs s SER 54 Ca 0.40 -1.16 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 1drs s SER 54 Cb 0.40 0.69 0.01 0.00 0.10 0.00 0.00 66.02 67.22 1drs s SER 54 CO -0.06 -1.35 1.46 -0.62 0.98 0.00 0.00 173.24 173.66 1drs s ASP 55 N -3.10 6.26 0.00 7.02 2.15 -1.26 -4.43 116.67 123.31 1drs s ASP 55 Ca 0.23 0.87 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1drs s ASP 55 Cb -0.02 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1drs s ASP 55 CO 0.13 -1.48 0.00 0.29 -0.17 0.00 0.00 175.17 173.94 1drs n LYS 56 N 8.15 0.00 -3.55 4.34 4.01 -1.06 -4.66 118.16 125.39 1drs n LYS 56 Ca 0.17 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.77 1drs n LYS 56 Cb 0.48 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.06 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 -3.08 -6.83 0.00 0.00 4.13 -1.26 -5.11 115.26 103.11 1drs n ASN 58 Ca -0.25 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1drs n ASN 58 Cb 0.66 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.33 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72