#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 4.87 -0.16 5.15 1.01 -1.26 -1.93 121.20 128.88 1drs s ILE 2 Ca 0.00 1.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 1drs s ILE 2 Cb 0.00 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1drs s ILE 2 CO 0.00 0.08 0.42 0.00 0.00 0.00 0.00 174.94 175.45 1drs s TYR 4 N 0.36 3.47 -0.46 0.00 2.02 -1.26 -1.97 117.35 119.50 1drs s TYR 4 Ca -0.01 0.55 0.09 0.00 -0.37 0.00 0.00 57.07 57.33 1drs s TYR 4 Cb -0.04 -2.01 0.37 0.00 -0.40 0.00 0.00 41.96 39.88 1drs s TYR 4 CO -0.01 0.35 0.91 -1.71 -1.57 0.00 0.00 175.55 173.52 1drs n ASN 5 N -0.34 3.09 -1.16 2.29 5.15 -1.08 -3.01 115.26 120.20 1drs n ASN 5 Ca -0.02 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 1drs n ASN 5 Cb 0.53 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.11 -1.63 -0.59 1.20 8.25 -1.18 -4.68 115.22 116.48 1drs n HIS 6 Ca 0.28 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.77 1drs n HIS 6 Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.58 -4.64 117.00 118.51 1drs n LEU 7 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1drs n LEU 7 Cb 0.00 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1drs n LEU 7 CO 0.00 -0.48 0.00 0.61 -1.22 0.00 0.00 177.39 176.30 1drs n GLY 8 N -1.43 2.19 0.00 -0.72 0.00 -1.26 -3.61 105.19 100.35 1drs n GLY 8 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.89 2.61 -1.04 -1.26 -5.11 114.28 105.59 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 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.93 2.66 0.00 -2.82 1.02 -1.24 -5.05 119.74 113.37 1drs s LYS 10 Ca 0.00 -1.12 0.28 0.00 0.02 0.00 0.00 55.97 55.16 1drs s LYS 10 Cb 0.00 -3.17 1.12 0.00 -0.52 0.00 0.00 37.83 35.26 1drs s LYS 10 CO 0.00 -0.53 1.79 -2.30 -0.92 0.00 0.00 175.35 173.38 1drs n PRO 11 N 4.69 0.98 0.21 -1.68 -0.02 -1.26 -1.52 135.00 136.40 1drs n PRO 11 Ca -0.14 -0.45 0.11 0.00 -2.02 0.00 0.00 63.50 60.99 1drs n PRO 11 Cb 0.45 -1.49 0.29 0.00 -0.02 0.00 0.00 33.50 32.73 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1drs h PRO 12 N 1.10 0.00 -6.12 0.52 0.11 -1.96 -3.40 132.00 122.25 1drs h PRO 12 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 1drs h PRO 12 Cb 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.46 1drs h PRO 12 CO 0.00 0.15 -0.17 0.95 -0.21 0.00 0.00 178.00 178.72 1drs s THR 13 N -3.33 4.98 0.03 -1.15 -4.23 -1.26 -5.03 115.64 105.65 1drs s THR 13 Ca 0.04 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.38 1drs s THR 13 Cb 0.07 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1drs s THR 13 CO 0.66 0.44 -0.16 0.42 -0.54 0.00 0.00 174.62 175.44 1drs s THR 14 N -1.23 1.26 -0.42 3.99 -4.23 -1.26 -2.63 115.64 111.11 1drs s THR 14 Ca 0.29 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1drs s THR 14 Cb -0.16 -1.10 0.11 0.00 1.34 0.00 0.00 72.50 72.69 1drs s THR 14 CO 0.16 0.13 0.23 -1.61 -0.54 0.00 0.00 174.62 172.99 1drs s GLU 15 N -0.94 2.07 -0.68 3.99 2.02 -0.83 -4.91 118.70 119.41 1drs s GLU 15 Ca 0.04 -1.84 -0.27 0.00 0.02 0.00 0.00 54.97 52.92 1drs s GLU 15 Cb -0.08 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.54 1drs s GLU 15 CO 0.01 -1.09 1.53 0.99 0.02 0.00 0.00 175.26 176.72 1drs s THR 16 N 1.12 3.57 0.18 3.63 2.01 -1.26 -1.92 115.64 122.97 1drs s THR 16 Ca 0.08 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.51 1drs s THR 16 Cb -0.23 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 1drs s THR 16 CO -0.04 -1.44 -0.12 0.00 -0.69 0.00 0.00 174.62 172.33 1drs n GLN 18 N 0.12 0.15 -2.14 0.00 3.00 -1.26 0.11 117.38 117.35 1drs n GLN 18 Ca -0.11 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.41 1drs n GLN 18 Cb 0.55 -1.51 -0.02 0.00 0.00 0.00 0.00 30.24 29.26 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 -3.11 3.67 0.00 -1.09 0.41 -1.26 -4.81 118.70 112.51 1drs s GLU 19 Ca 0.05 1.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 1drs s GLU 19 Cb 0.16 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.45 1drs s GLU 19 CO 0.87 -1.45 0.07 -0.25 -0.49 0.00 0.00 175.26 174.01 1drs n ASP 20 N 8.86 0.00 -3.67 -0.19 8.00 -1.26 -4.05 116.55 124.23 1drs n ASP 20 Ca 0.19 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 1drs n ASP 20 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 1drs n ASP 20 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1drs s SER 21 N -1.92 -0.37 0.12 -2.24 1.04 -1.26 -4.85 113.70 104.22 1drs s SER 21 Ca 0.00 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 1drs s SER 21 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1drs s SER 21 CO 0.00 -0.50 0.09 0.00 0.98 0.00 0.00 173.24 173.82 1drs s TYR 23 N -3.99 1.24 -0.32 0.00 -0.85 -0.35 -1.09 117.35 111.99 1drs s TYR 23 Ca 0.18 -0.46 -0.08 0.00 -0.52 0.00 0.00 57.07 56.19 1drs s TYR 23 Cb 0.07 -0.70 0.02 0.00 0.38 0.00 0.00 41.96 41.73 1drs s TYR 23 CO -0.02 0.06 0.11 0.15 -1.52 0.00 0.00 175.55 174.33 1drs s LYS 24 N -1.74 2.97 -0.13 -3.49 1.02 -0.17 -2.73 119.74 115.48 1drs s LYS 24 Ca -0.02 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.04 1drs s LYS 24 Cb -0.10 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1drs s LYS 24 CO 0.02 -0.53 -0.16 1.21 -0.92 0.00 0.00 175.35 174.98 1drs s ASN 25 N 1.50 3.74 -0.00 2.83 2.47 -1.26 -2.88 114.94 121.33 1drs s ASN 25 Ca 0.02 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 52.90 1drs s ASN 25 Cb -0.18 -1.56 0.01 0.00 -1.45 0.00 0.00 41.25 38.07 1drs s ASN 25 CO 0.04 0.15 0.80 2.30 -3.72 0.00 0.00 177.10 176.66 1drs n ILE 26 N 3.65 0.10 0.00 -5.21 -0.00 -1.26 -2.53 119.36 114.11 1drs n ILE 26 Ca -0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 1drs n ILE 26 Cb 0.53 0.68 0.00 0.00 -0.00 0.00 0.00 39.64 40.84 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 -0.07 0.00 0.00 4.28 2.14 -1.22 -4.28 117.44 118.29 1drs n TRP 27 Ca 0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.58 1drs n TRP 27 Cb 0.60 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.10 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 0.05 -1.67 5.66 -1.26 -2.62 114.28 114.43 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 0.33 -3.05 0.00 0.00 175.07 172.35 1drs n PHE 29 N 0.00 -2.24 0.35 1.09 7.35 -1.26 -4.94 117.46 117.81 1drs n PHE 29 Ca 0.00 0.34 0.04 0.00 -0.76 0.00 0.00 57.45 57.07 1drs n PHE 29 Cb 0.00 1.10 0.20 0.00 0.35 0.00 0.00 39.48 41.13 1drs n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1drs n ASP 30 N -2.71 0.00 -2.02 -2.13 5.75 -1.26 -4.94 116.55 109.24 1drs n ASP 30 Ca 0.00 0.32 -0.01 0.00 -0.01 0.00 0.00 54.79 55.09 1drs n ASP 30 Cb 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.38 -4.07 -3.52 -1.12 5.15 -1.19 -5.08 115.26 104.05 1drs n ASN 31 Ca 0.03 0.06 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 1drs n ASN 31 Cb 0.08 -2.53 -0.03 0.00 -0.53 0.00 0.00 39.78 36.77 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 -2.42 0.03 -0.56 -1.44 1.10 -1.08 -5.02 121.20 111.82 1drs s ILE 32 Ca 0.04 -0.27 -0.18 0.00 -0.51 0.00 0.00 60.65 59.73 1drs s ILE 32 Cb -0.01 -1.10 0.10 0.00 0.15 0.00 0.00 42.46 41.60 1drs s ILE 32 CO 0.27 -0.13 0.62 -0.63 -2.11 0.00 0.00 174.94 172.96 1drs s ILE 33 N -3.78 4.95 -0.09 2.00 1.01 -1.26 -3.41 121.20 120.62 1drs s ILE 33 Ca 0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 1drs s ILE 33 Cb 0.00 -4.40 0.04 0.00 0.01 0.00 0.00 42.46 38.12 1drs s ILE 33 CO -0.12 -0.97 0.08 -0.60 0.00 0.00 0.00 174.94 173.33 1drs s ARG 34 N 2.34 -0.02 0.03 2.79 3.52 -1.05 -4.73 118.95 121.83 1drs s ARG 34 Ca 0.09 0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1drs s ARG 34 Cb -0.25 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 1drs s ARG 34 CO 0.06 -0.45 0.05 2.89 -0.81 0.00 0.00 175.30 177.04 1drs n ARG 35 N 5.30 0.07 -0.41 5.12 -4.01 -1.16 -4.56 116.66 117.00 1drs n ARG 35 Ca -0.04 -0.26 0.00 0.00 -1.04 0.00 0.00 57.85 56.50 1drs n ARG 35 Cb 0.50 0.25 0.00 0.00 -3.04 0.00 0.00 32.46 30.17 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 -0.05 1.89 3.42 2.89 0.00 -1.11 -4.11 105.19 108.13 1drs n GLY 36 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 4.03 -1.75 5.00 0.00 0.00 -1.06 -4.95 105.19 106.46 1drs n GLY 38 Ca -0.18 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 3.35 -3.88 0.00 3.72 -1.26 -4.76 117.46 114.63 1drs n PHE 40 Ca 0.00 -2.43 -0.29 0.00 -0.05 0.00 0.00 57.45 54.68 1drs n PHE 40 Cb 0.00 -2.40 -0.12 0.00 -0.94 0.00 0.00 39.48 36.01 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 5.18 2.64 -1.20 4.37 -1.32 -1.26 -5.03 115.64 119.02 1drs s THR 41 Ca 0.55 -3.92 -0.05 0.00 -1.21 0.00 0.00 61.69 57.06 1drs s THR 41 Cb 0.09 -2.76 0.21 0.00 -1.51 0.00 0.00 72.50 68.53 1drs s THR 41 CO 0.04 -0.97 1.97 -0.81 -2.21 0.00 0.00 174.62 172.65 1drs n PRO 42 N 2.34 4.54 -3.84 7.08 -0.04 -1.26 -4.87 135.00 138.94 1drs n PRO 42 Ca 0.16 -3.95 -0.12 0.00 -0.04 0.00 0.00 63.50 59.56 1drs n PRO 42 Cb 0.35 -2.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 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 -1.80 0.29 -0.12 0.54 1.81 -1.26 -5.09 118.95 113.32 1drs s ARG 43 Ca 0.43 0.00 0.01 0.00 -1.72 0.00 0.00 55.73 54.45 1drs s ARG 43 Cb 0.14 0.13 -0.24 0.00 -0.45 0.00 0.00 34.95 34.53 1drs s ARG 43 CO -0.04 -0.05 0.36 0.41 -0.68 0.00 0.00 175.30 175.29 1drs n GLY 44 N 2.46 -0.68 0.72 -3.53 0.00 -1.26 -4.02 105.19 98.88 1drs n GLY 44 Ca -0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.30 1.82 -4.02 1.61 5.68 -1.26 -4.55 116.55 112.53 1drs n ASP 45 Ca -0.30 -2.03 -0.31 0.00 -0.50 0.00 0.00 54.79 51.66 1drs n ASP 45 Cb 1.05 -0.51 -0.16 0.00 -1.14 0.00 0.00 41.12 40.36 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1drs s MET 46 N -0.68 2.26 -0.78 0.11 1.75 -1.26 -5.10 119.30 115.60 1drs s MET 46 Ca 0.01 -0.72 -0.23 0.00 -1.25 0.00 0.00 55.69 53.50 1drs s MET 46 Cb 0.01 -2.30 0.06 0.00 2.84 0.00 0.00 34.83 35.44 1drs s MET 46 CO 0.00 -0.32 1.15 -1.25 -0.65 0.00 0.00 175.02 173.96 1drs s PRO 47 N 1.42 3.28 0.12 4.11 0.04 -1.26 -4.89 135.00 137.82 1drs s PRO 47 Ca 0.02 -0.85 -0.08 0.00 0.04 0.00 0.00 61.00 60.13 1drs s PRO 47 Cb -0.14 -4.49 -0.06 0.00 0.04 0.00 0.00 34.50 29.84 1drs s PRO 47 CO -0.10 -1.97 0.41 0.20 0.04 0.00 0.00 177.00 175.59 1drs s GLY 48 N 3.89 2.29 1.23 0.56 0.00 -1.26 -5.11 107.32 108.92 1drs s GLY 48 Ca 0.31 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.45 1drs s GLY 48 CO 0.05 -0.28 1.00 -4.14 0.00 0.00 0.00 173.10 169.74 1drs s PRO 49 N -2.32 -1.47 0.31 2.90 0.02 -1.26 -5.04 135.00 128.15 1drs s PRO 49 Ca 0.38 0.70 -0.15 0.00 0.02 0.00 0.00 61.00 61.94 1drs s PRO 49 Cb -0.13 -1.50 -0.09 0.00 0.02 0.00 0.00 34.50 32.80 1drs s PRO 49 CO 0.21 -4.05 0.73 1.52 -0.33 0.00 0.00 177.00 175.08 1drs s TYR 50 N -2.39 3.40 0.32 6.54 -0.85 -1.14 -4.89 117.35 118.33 1drs s TYR 50 Ca 0.69 1.22 0.06 0.00 -0.52 0.00 0.00 57.07 58.52 1drs s TYR 50 Cb -0.23 -2.53 -0.06 0.00 0.38 0.00 0.00 41.96 39.51 1drs s TYR 50 CO 0.64 0.12 -0.02 0.00 -1.52 0.00 0.00 175.55 174.77 1drs n GLU 53 N 1.46 1.57 -4.08 0.00 0.00 -1.26 -1.42 120.64 116.90 1drs n GLU 53 Ca -0.22 -3.15 -0.26 0.00 0.00 0.00 0.00 57.16 53.54 1drs n GLU 53 Cb 0.56 -1.32 -0.05 0.00 0.00 0.00 0.00 31.44 30.63 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs n SER 54 N -0.56 3.06 -4.60 -1.84 2.88 -1.26 -4.99 113.62 106.31 1drs n SER 54 Ca 0.19 -2.77 -0.43 0.00 -1.33 0.00 0.00 58.87 54.54 1drs n SER 54 Cb 0.88 0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 64.56 1drs n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1drs s ASP 55 N -3.28 6.69 0.00 -3.46 2.15 -1.26 -4.58 116.67 112.93 1drs s ASP 55 Ca 0.02 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.60 1drs s ASP 55 Cb -0.00 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1drs s ASP 55 CO 0.02 -0.89 0.00 0.29 -0.17 0.00 0.00 175.17 174.42 1drs n LYS 56 N 6.85 0.00 -2.14 4.34 4.01 -1.19 -4.55 118.16 125.48 1drs n LYS 56 Ca 0.08 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.84 1drs n LYS 56 Cb 0.48 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 35.02 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 -1.60 -7.66 0.00 0.00 4.05 -1.26 -5.15 115.26 103.64 1drs n ASN 58 Ca -0.04 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.31 1drs n ASN 58 Cb 0.53 -5.00 0.00 0.00 1.23 0.00 0.00 39.78 36.54 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10