#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 5.31 0.04 0.55 1.09 -1.26 -2.48 121.20 124.44 1drs s ILE 2 Ca 0.00 0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 60.07 1drs s ILE 2 Cb 0.00 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.75 1drs s ILE 2 CO 0.00 0.39 0.00 0.00 -0.10 0.00 0.00 174.94 175.24 1drs s TYR 4 N -2.72 3.48 -0.09 0.00 2.02 -1.26 -1.49 117.35 117.29 1drs s TYR 4 Ca -0.04 0.51 0.23 0.00 -0.37 0.00 0.00 57.07 57.40 1drs s TYR 4 Cb -0.01 -1.98 0.45 0.00 -0.40 0.00 0.00 41.96 40.02 1drs s TYR 4 CO -0.05 0.36 1.17 0.27 -1.57 0.00 0.00 175.55 175.72 1drs n ASN 5 N -0.35 1.34 -1.48 2.29 6.94 -0.97 -4.07 115.26 118.96 1drs n ASN 5 Ca -0.03 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 1drs n ASN 5 Cb 0.53 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 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 0.05 0.00 -1.57 -2.53 8.25 -1.13 -4.66 115.22 113.61 1drs n HIS 6 Ca 0.09 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.71 1drs n HIS 6 Cb 1.02 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 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 -3.80 2.41 4.77 -0.70 -4.67 117.00 115.01 1drs n LEU 7 Ca 0.00 1.27 -0.35 0.00 -0.03 0.00 0.00 56.01 56.90 1drs n LEU 7 Cb 0.00 -3.58 0.03 0.00 -2.33 0.00 0.00 43.42 37.54 1drs n LEU 7 CO 0.00 -2.44 -0.10 0.61 -1.33 0.00 0.00 177.39 174.13 1drs n GLY 8 N -3.58 -0.98 0.00 -0.72 0.00 -1.26 -2.90 105.19 95.75 1drs n GLY 8 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.25 0.00 -3.60 2.61 -1.04 -1.26 -5.04 114.28 101.70 1drs n THR 9 Ca -0.11 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 1drs n THR 9 Cb 0.59 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.07 0.00 -2.82 1.02 -1.14 -5.10 119.74 111.77 1drs s LYS 10 Ca 0.00 -0.04 0.29 0.00 0.02 0.00 0.00 55.97 56.24 1drs s LYS 10 Cb 0.00 -1.73 1.44 0.00 -0.52 0.00 0.00 37.83 37.02 1drs s LYS 10 CO 0.00 -0.66 2.01 -2.30 -0.92 0.00 0.00 175.35 173.48 1drs n PRO 11 N 5.28 0.34 0.04 -1.68 -0.02 -1.26 -1.72 135.00 135.98 1drs n PRO 11 Ca -0.07 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1drs n PRO 11 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.32 0.63 -2.32 0.52 -0.02 -1.26 -4.14 135.00 127.09 1drs n PRO 12 Ca 0.13 0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.42 1drs n PRO 12 Cb 0.25 -1.74 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 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 -3.15 4.42 0.04 3.45 -4.23 -1.26 -4.95 115.64 109.96 1drs s THR 13 Ca -0.04 0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1drs s THR 13 Cb 0.10 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1drs s THR 13 CO 0.82 -0.81 -0.04 0.42 -0.54 0.00 0.00 174.62 174.48 1drs s THR 14 N -2.97 0.23 -0.39 3.99 -4.23 -1.26 -2.29 115.64 108.72 1drs s THR 14 Ca 0.52 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1drs s THR 14 Cb -0.11 -0.88 0.11 0.00 1.34 0.00 0.00 72.50 72.96 1drs s THR 14 CO 0.48 -0.71 0.12 -1.61 -0.54 0.00 0.00 174.62 172.35 1drs s GLU 15 N -2.60 1.57 -0.31 3.99 2.02 -0.55 -4.87 118.70 117.94 1drs s GLU 15 Ca -0.05 -2.04 -0.29 0.00 0.02 0.00 0.00 54.97 52.61 1drs s GLU 15 Cb -0.02 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1drs s GLU 15 CO -0.05 -1.00 1.13 -0.08 0.02 0.00 0.00 175.26 175.29 1drs s THR 16 N 0.59 4.42 0.01 3.63 -1.32 -1.26 -2.60 115.64 119.11 1drs s THR 16 Ca 0.13 1.63 -0.01 0.00 -1.21 0.00 0.00 61.69 62.23 1drs s THR 16 Cb -0.21 -4.34 -0.01 0.00 -1.51 0.00 0.00 72.50 66.43 1drs s THR 16 CO -0.07 -0.46 -0.00 0.00 -2.21 0.00 0.00 174.62 171.88 1drs n GLN 18 N 1.81 3.63 -3.76 0.00 -0.00 -1.26 -0.01 117.38 117.78 1drs n GLN 18 Ca -0.22 -2.42 -0.37 0.00 -0.00 0.00 0.00 57.00 53.99 1drs n GLN 18 Cb 0.56 -2.06 -0.12 0.00 -0.00 0.00 0.00 30.24 28.62 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 -2.41 3.79 0.00 2.61 8.01 -1.26 -4.95 118.70 124.50 1drs s GLU 19 Ca 0.43 -0.41 0.04 0.00 0.01 0.00 0.00 54.97 55.04 1drs s GLU 19 Cb 0.33 -3.40 0.26 0.00 -4.31 0.00 0.00 34.13 27.02 1drs s GLU 19 CO 0.12 -0.10 0.65 -0.25 0.01 0.00 0.00 175.26 175.68 1drs n ASP 20 N 4.71 0.00 -3.67 -0.19 8.00 -1.26 -3.49 116.55 120.65 1drs n ASP 20 Ca -0.16 -0.25 -0.11 0.00 0.71 0.00 0.00 54.79 54.99 1drs n ASP 20 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.94 -0.19 0.10 -2.24 1.04 -1.26 -4.78 113.70 104.42 1drs s SER 21 Ca 0.07 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 1drs s SER 21 Cb 0.03 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1drs s SER 21 CO 0.05 -0.80 0.02 0.00 0.98 0.00 0.00 173.24 173.49 1drs s TYR 23 N -3.99 2.30 -0.32 0.00 -0.85 -0.26 -1.56 117.35 112.67 1drs s TYR 23 Ca 0.17 -0.35 -0.07 0.00 -0.52 0.00 0.00 57.07 56.30 1drs s TYR 23 Cb 0.08 -1.10 0.02 0.00 0.38 0.00 0.00 41.96 41.34 1drs s TYR 23 CO -0.03 0.56 0.10 0.21 -1.52 0.00 0.00 175.55 174.88 1drs s LYS 24 N -2.91 2.90 -0.19 -3.49 2.47 -0.65 -2.76 119.74 115.11 1drs s LYS 24 Ca 0.23 -0.99 -0.01 0.00 -1.56 0.00 0.00 55.97 53.64 1drs s LYS 24 Cb -0.07 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.86 1drs s LYS 24 CO 0.11 -0.55 -0.14 1.21 0.16 0.00 0.00 175.35 176.14 1drs s ASN 25 N 1.47 3.55 0.00 1.43 2.47 -1.26 -3.09 114.94 119.52 1drs s ASN 25 Ca 0.01 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.74 1drs s ASN 25 Cb -0.18 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1drs s ASN 25 CO 0.03 -0.00 0.00 2.30 -3.72 0.00 0.00 177.10 175.71 1drs n ILE 26 N 4.65 0.00 0.00 -5.21 -0.00 -1.26 -2.39 119.36 115.16 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 0.50 -0.25 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 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 -0.93 0.00 -0.05 4.28 2.14 -1.26 -3.44 117.44 118.18 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 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.64 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 0.12 -1.67 5.66 -1.26 -2.24 114.28 114.83 1drs n THR 28 Ca 0.00 0.04 -0.13 0.00 -3.05 0.00 0.00 64.05 60.90 1drs n THR 28 Cb 0.00 -0.06 -0.08 0.00 -1.55 0.00 0.00 70.33 68.64 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 -0.03 -0.27 -0.98 1.09 3.04 -1.99 -3.33 116.94 114.47 1drs h PHE 29 Ca -0.01 -0.01 -0.57 0.00 3.98 0.00 0.00 57.97 61.36 1drs h PHE 29 Cb 0.04 0.09 -0.09 0.00 2.56 0.00 0.00 35.95 38.56 1drs h PHE 29 CO 0.00 0.03 1.57 0.16 -2.02 0.00 0.00 178.31 178.06 1drs s ASP 30 N -5.17 6.37 -0.29 0.41 -4.77 -1.26 -4.95 116.67 107.01 1drs s ASP 30 Ca -0.15 -1.62 -0.35 0.00 -3.30 0.00 0.00 52.55 47.13 1drs s ASP 30 Cb 0.03 -2.57 -0.11 0.00 -1.09 0.00 0.00 42.92 39.17 1drs s ASP 30 CO 0.60 -1.63 2.10 -3.20 0.70 0.00 0.00 175.17 173.74 1drs n ASN 31 N 9.57 2.49 -3.55 2.11 5.15 -1.25 -4.89 115.26 124.89 1drs n ASN 31 Ca 0.38 0.54 -0.07 0.00 -0.60 0.00 0.00 54.58 54.83 1drs n ASN 31 Cb 0.49 -1.30 -0.03 0.00 -0.53 0.00 0.00 39.78 38.42 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 6.54 0.00 -0.55 -1.44 1.10 -0.95 -5.04 121.20 120.85 1drs s ILE 32 Ca 1.05 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 61.02 1drs s ILE 32 Cb -0.80 -1.00 0.13 0.00 0.15 0.00 0.00 42.46 40.94 1drs s ILE 32 CO 0.50 0.00 0.54 -0.63 -2.11 0.00 0.00 174.94 173.24 1drs s ILE 33 N -2.47 5.14 -0.21 2.00 1.09 -1.26 -4.12 121.20 121.36 1drs s ILE 33 Ca 0.05 -1.41 -0.04 0.00 -1.10 0.00 0.00 60.65 58.15 1drs s ILE 33 Cb -0.01 -4.37 0.07 0.00 -1.06 0.00 0.00 42.46 37.09 1drs s ILE 33 CO -0.06 -0.92 0.09 -0.60 -0.10 0.00 0.00 174.94 173.35 1drs s ARG 34 N 1.80 0.23 0.00 2.79 3.52 -1.00 -4.77 118.95 121.52 1drs s ARG 34 Ca 0.05 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1drs s ARG 34 Cb -0.29 -1.72 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1drs s ARG 34 CO 0.03 -0.77 0.00 2.89 -0.81 0.00 0.00 175.30 176.65 1drs n ARG 35 N 5.21 0.00 -3.29 5.12 -4.01 -1.26 -4.57 116.66 113.87 1drs n ARG 35 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1drs n ARG 35 Cb 0.47 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.89 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 -1.48 3.62 2.89 0.00 -1.11 -4.10 105.19 105.01 1drs n GLY 36 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 4.05 -1.27 7.00 0.00 0.00 -1.07 -4.98 105.19 108.92 1drs n GLY 38 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.19 -5.05 0.00 3.72 -1.26 -5.00 117.46 107.68 1drs n PHE 40 Ca 0.00 0.89 -0.31 0.00 -0.05 0.00 0.00 57.45 57.97 1drs n PHE 40 Cb 0.00 -4.09 -0.15 0.00 -0.94 0.00 0.00 39.48 34.30 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 -3.42 2.40 0.24 4.37 -1.32 -1.26 -5.10 115.64 111.55 1drs s THR 41 Ca 0.47 -1.08 -0.31 0.00 -1.21 0.00 0.00 61.69 59.56 1drs s THR 41 Cb -0.24 -1.90 -0.12 0.00 -1.51 0.00 0.00 72.50 68.73 1drs s THR 41 CO 0.83 0.51 1.68 -2.16 -2.21 0.00 0.00 174.62 173.27 1drs s PRO 42 N -0.87 4.12 -0.30 7.08 0.04 -1.26 -4.96 135.00 138.84 1drs s PRO 42 Ca 0.11 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1drs s PRO 42 Cb -0.10 -3.05 0.14 0.00 0.04 0.00 0.00 34.50 31.53 1drs s PRO 42 CO 0.01 -0.72 0.32 0.50 0.04 0.00 0.00 177.00 177.14 1drs s ARG 43 N 0.56 0.38 0.00 4.56 6.06 -1.26 -4.85 118.95 124.40 1drs s ARG 43 Ca 0.71 -0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.68 1drs s ARG 43 Cb -0.49 -0.65 0.00 0.00 0.06 0.00 0.00 34.95 33.87 1drs s ARG 43 CO 0.38 -1.06 0.00 0.41 -2.50 0.00 0.00 175.30 172.53 1drs n GLY 44 N 5.12 0.32 2.45 8.12 0.00 -1.26 -4.97 105.19 114.97 1drs n GLY 44 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.87 0.00 1.61 -0.08 -1.26 -5.11 116.55 110.83 1drs n ASP 45 Ca 0.00 -3.22 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 1drs n ASP 45 Cb 0.00 0.56 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1drs n ASP 45 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1drs n MET 46 N 0.72 3.68 -1.64 -0.67 0.00 -1.26 -5.13 117.12 112.81 1drs n MET 46 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.52 1drs n MET 46 Cb 0.64 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.93 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 1.57 2.52 0.00 3.17 0.02 -1.26 -4.98 135.00 136.04 1drs s PRO 47 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1drs s PRO 47 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1drs s PRO 47 CO 0.00 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.58 1drs n GLY 48 N -0.01 4.35 3.75 0.52 0.00 -1.26 -4.84 105.19 107.70 1drs n GLY 48 Ca 0.12 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.57 1.52 0.04 1.61 0.04 -1.26 -5.07 135.00 127.31 1drs s PRO 49 Ca 0.00 0.73 -0.07 0.00 0.04 0.00 0.00 61.00 61.70 1drs s PRO 49 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1drs s PRO 49 CO 0.00 -2.04 0.31 1.52 0.04 0.00 0.00 177.00 176.84 1drs s TYR 50 N -3.02 3.57 0.25 0.56 -0.85 -1.18 -4.96 117.35 111.72 1drs s TYR 50 Ca 0.63 0.64 0.12 0.00 -0.52 0.00 0.00 57.07 57.93 1drs s TYR 50 Cb -0.17 -2.04 -0.05 0.00 0.38 0.00 0.00 41.96 40.09 1drs s TYR 50 CO 0.56 0.57 -0.20 0.00 -1.52 0.00 0.00 175.55 174.96 1drs n GLU 53 N -0.09 1.65 -4.01 0.00 0.28 -1.26 -2.03 120.64 115.18 1drs n GLU 53 Ca -0.11 -3.64 -0.09 0.00 -0.16 0.00 0.00 57.16 53.16 1drs n GLU 53 Cb 0.61 -1.63 -0.05 0.00 1.43 0.00 0.00 31.44 31.79 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1drs s SER 54 N -3.02 -0.08 0.32 -1.84 0.15 -1.26 -5.00 113.70 102.96 1drs s SER 54 Ca 0.36 -0.94 -0.29 0.00 0.70 0.00 0.00 55.95 55.78 1drs s SER 54 Cb 0.40 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 65.19 1drs s SER 54 CO -0.05 -1.13 1.24 1.51 1.20 0.00 0.00 173.24 176.01 1drs s ASP 55 N -3.02 6.92 0.00 5.45 -4.77 -1.26 -4.45 116.67 115.53 1drs s ASP 55 Ca 0.23 2.55 0.00 0.00 -3.30 0.00 0.00 52.55 52.03 1drs s ASP 55 Cb -0.00 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1drs s ASP 55 CO 0.09 -0.42 0.00 0.29 0.70 0.00 0.00 175.17 175.83 1drs n LYS 56 N 0.89 0.00 -2.42 2.11 4.01 -0.82 -4.67 118.16 117.26 1drs n LYS 56 Ca -0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1drs n LYS 56 Cb 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.95 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 -1.37 0.00 0.00 0.00 5.15 -1.26 -5.13 115.26 112.65 1drs n ASN 58 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1drs n ASN 58 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1drs n ASN 58 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66