#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 -0.03 0.05 8.89 1.01 -1.26 -1.25 121.20 128.61 1drs s ILE 2 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1drs s ILE 2 Cb 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1drs s ILE 2 CO 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 174.94 174.90 1drs s TYR 4 N -1.63 3.61 0.00 0.00 2.02 -1.26 -1.42 117.35 118.67 1drs s TYR 4 Ca -0.08 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.46 1drs s TYR 4 Cb -0.08 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1drs s TYR 4 CO -0.00 0.46 0.60 0.27 -1.57 0.00 0.00 175.55 175.30 1drs n ASN 5 N 2.64 1.01 0.07 2.29 6.94 -1.12 -2.22 115.26 124.87 1drs n ASN 5 Ca -0.13 -1.35 -0.07 0.00 -0.02 0.00 0.00 54.58 53.01 1drs n ASN 5 Cb 0.52 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.03 1drs n ASN 5 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1drs h HIS 6 N 0.00 0.40 -1.05 -2.53 3.86 -1.24 -3.44 115.15 111.14 1drs h HIS 6 Ca 0.00 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 1drs h HIS 6 Cb 0.44 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.85 1drs h HIS 6 CO 0.00 0.86 -0.01 1.28 0.86 0.00 0.00 177.93 180.92 1drs n LEU 7 N -3.86 0.00 -0.44 2.43 4.77 -1.26 -3.78 117.00 114.86 1drs n LEU 7 Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1drs n LEU 7 Cb 0.64 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1drs n LEU 7 CO 0.46 -1.55 0.00 0.61 -1.33 0.00 0.00 177.39 175.57 1drs n GLY 8 N -0.36 0.90 1.17 -0.72 0.00 -1.26 -3.82 105.19 101.09 1drs n GLY 8 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.66 0.00 -1.05 2.61 -1.04 -1.26 -4.96 114.28 105.93 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 0.50 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.13 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 1.71 0.68 -2.82 3.01 -1.25 -5.02 119.74 116.04 1drs s LYS 10 Ca 0.00 1.42 -0.12 0.00 -1.01 0.00 0.00 55.97 56.26 1drs s LYS 10 Cb 0.00 -1.82 -0.00 0.00 -1.01 0.00 0.00 37.83 35.00 1drs s LYS 10 CO 0.00 -2.10 1.06 -1.25 0.51 0.00 0.00 175.35 173.57 1drs s PRO 11 N -4.64 3.02 0.31 -1.68 0.04 -1.25 -4.26 135.00 126.54 1drs s PRO 11 Ca 0.65 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1drs s PRO 11 Cb -0.21 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 1drs s PRO 11 CO 0.55 -1.04 1.24 -2.30 0.04 0.00 0.00 177.00 175.49 1drs n PRO 12 N -2.92 1.90 0.00 0.56 -0.02 -1.26 -4.51 135.00 128.75 1drs n PRO 12 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1drs n PRO 12 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1drs n PRO 12 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1drs n THR 13 N 0.60 0.00 -4.10 3.45 -1.04 -1.26 -4.94 114.28 106.98 1drs n THR 13 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1drs n THR 13 Cb 0.34 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.74 1drs n THR 13 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1drs s THR 14 N -2.00 0.56 -0.74 12.58 -4.23 -1.26 -0.83 115.64 119.72 1drs s THR 14 Ca 0.00 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 58.86 1drs s THR 14 Cb 0.00 -1.08 0.12 0.00 1.34 0.00 0.00 72.50 72.88 1drs s THR 14 CO 0.00 -0.62 0.90 -0.70 -0.54 0.00 0.00 174.62 173.65 1drs s GLU 15 N -2.63 3.30 -0.52 3.99 2.12 -0.51 -4.82 118.70 119.63 1drs s GLU 15 Ca -0.00 -1.49 -0.22 0.00 0.36 0.00 0.00 54.97 53.62 1drs s GLU 15 Cb -0.03 -4.48 0.05 0.00 0.26 0.00 0.00 34.13 29.93 1drs s GLU 15 CO -0.02 -1.64 0.79 0.99 -0.54 0.00 0.00 175.26 174.83 1drs s THR 16 N 2.68 4.62 0.18 -1.70 2.01 -1.26 -2.74 115.64 119.42 1drs s THR 16 Ca 0.21 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.27 1drs s THR 16 Cb -0.15 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1drs s THR 16 CO 0.00 -0.94 -0.18 0.00 -0.69 0.00 0.00 174.62 172.81 1drs n GLN 18 N 0.19 2.33 -3.36 0.00 6.02 -1.26 0.66 117.38 121.95 1drs n GLN 18 Ca -0.12 -1.96 -0.25 0.00 -0.01 0.00 0.00 57.00 54.66 1drs n GLN 18 Cb 0.57 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.79 3.51 0.30 -1.09 0.41 -1.26 -4.86 118.70 113.92 1drs s GLU 19 Ca 0.33 -0.26 0.06 0.00 -0.41 0.00 0.00 54.97 54.69 1drs s GLU 19 Cb 0.21 -2.66 0.81 0.00 -1.78 0.00 0.00 34.13 30.71 1drs s GLU 19 CO 0.31 0.16 1.67 -0.44 -0.49 0.00 0.00 175.26 176.46 1drs h ASP 20 N 0.97 0.23 -5.10 -0.19 5.19 -1.96 -3.45 116.42 112.12 1drs h ASP 20 Ca -0.49 0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 55.96 1drs h ASP 20 Cb 1.21 0.19 -0.18 0.00 0.18 0.00 0.00 39.33 40.73 1drs h ASP 20 CO 0.63 -0.10 -0.68 -0.44 -3.12 0.00 0.00 179.24 175.52 1drs s SER 21 N -5.07 0.34 0.02 6.45 0.01 -1.26 -4.47 113.70 109.72 1drs s SER 21 Ca -0.11 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.44 1drs s SER 21 Cb 0.27 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 1drs s SER 21 CO 0.78 -0.44 -0.04 0.00 0.41 0.00 0.00 173.24 173.95 1drs s TYR 23 N -1.19 2.49 -0.23 0.00 -0.85 -0.13 -2.31 117.35 115.14 1drs s TYR 23 Ca -0.12 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 55.90 1drs s TYR 23 Cb -0.08 -1.58 0.04 0.00 0.38 0.00 0.00 41.96 40.72 1drs s TYR 23 CO -0.01 0.49 -0.14 0.15 -1.52 0.00 0.00 175.55 174.52 1drs s LYS 24 N -3.69 2.45 -0.23 -3.49 -0.14 -0.48 -2.44 119.74 111.73 1drs s LYS 24 Ca 0.34 -1.11 -0.02 0.00 -1.36 0.00 0.00 55.97 53.83 1drs s LYS 24 Cb 0.04 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.49 1drs s LYS 24 CO 0.18 -0.43 -0.08 1.21 -0.76 0.00 0.00 175.35 175.47 1drs s ASN 25 N 1.20 4.11 -0.01 2.83 2.47 -1.26 -3.20 114.94 121.07 1drs s ASN 25 Ca -0.03 -0.73 0.06 0.00 0.42 0.00 0.00 52.86 52.57 1drs s ASN 25 Cb -0.17 -1.65 -0.09 0.00 -1.45 0.00 0.00 41.25 37.89 1drs s ASN 25 CO -0.08 -0.08 0.12 2.30 -3.72 0.00 0.00 177.10 175.64 1drs n ILE 26 N 4.69 0.04 0.00 -5.21 -0.00 -1.26 -2.37 119.36 115.25 1drs n ILE 26 Ca -0.18 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 1drs n ILE 26 Cb 0.48 0.23 0.00 0.00 -0.00 0.00 0.00 39.64 40.36 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 -1.76 0.00 0.00 4.28 2.14 -1.25 -4.32 117.44 116.53 1drs n TRP 27 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1drs n TRP 27 Cb 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.71 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 -0.02 -1.67 5.66 -1.26 -1.56 114.28 115.43 1drs n THR 28 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1drs n THR 28 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.00 0.29 0.00 1.09 0.04 -2.02 -3.28 116.94 113.05 1drs h PHE 29 Ca 0.00 -0.16 -0.67 0.00 2.80 0.00 0.00 57.97 59.94 1drs h PHE 29 Cb 0.00 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1drs h PHE 29 CO 0.00 0.96 3.06 -0.40 -0.60 0.00 0.00 178.31 181.34 1drs n ASP 30 N -4.48 4.47 -3.86 2.17 5.75 -1.26 -4.94 116.55 114.39 1drs n ASP 30 Ca -0.10 -2.73 -0.55 0.00 -0.01 0.00 0.00 54.79 51.40 1drs n ASP 30 Cb 0.52 -1.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.01 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 5.85 0.80 0.00 -1.12 2.85 -1.24 -4.73 115.26 117.67 1drs n ASN 31 Ca 0.55 0.75 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1drs n ASN 31 Cb 0.35 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 40.59 1drs n ASN 31 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1drs n ILE 32 N 4.89 0.00 -2.95 -1.44 0.13 -0.60 -4.93 119.36 114.46 1drs n ILE 32 Ca 0.41 0.00 -0.44 0.00 -1.10 0.00 0.00 62.75 61.62 1drs n ILE 32 Cb -0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.72 1drs n ILE 32 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 1drs s ILE 33 N -2.00 4.52 -0.09 9.51 1.01 -1.26 -3.88 121.20 129.00 1drs s ILE 33 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1drs s ILE 33 Cb 0.00 -4.62 0.05 0.00 0.01 0.00 0.00 42.46 37.90 1drs s ILE 33 CO 0.00 -1.35 0.19 -0.60 0.00 0.00 0.00 174.94 173.18 1drs s ARG 34 N 3.50 0.08 0.16 2.79 3.52 -1.00 -4.87 118.95 123.13 1drs s ARG 34 Ca 0.19 0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 56.31 1drs s ARG 34 Cb -0.19 -0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.03 1drs s ARG 34 CO 0.08 -0.27 0.30 2.89 -0.81 0.00 0.00 175.30 177.49 1drs n ARG 35 N 5.06 0.44 -3.23 5.12 -4.01 -0.94 -4.40 116.66 114.69 1drs n ARG 35 Ca -0.10 -0.92 0.00 0.00 -1.04 0.00 0.00 57.85 55.79 1drs n ARG 35 Cb 0.50 1.11 0.00 0.00 -3.04 0.00 0.00 32.46 31.03 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 -0.22 -1.03 3.62 2.89 0.00 -1.02 -3.56 105.19 105.88 1drs n GLY 36 Ca -0.03 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 4.57 -0.77 1.92 0.00 0.00 -1.09 -4.97 105.19 104.84 1drs n GLY 38 Ca 0.16 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs s PHE 40 N -0.27 3.53 -0.42 0.00 0.08 -1.26 -4.96 117.98 114.68 1drs s PHE 40 Ca 0.00 -2.08 -0.05 0.00 0.12 0.00 0.00 56.93 54.93 1drs s PHE 40 Cb 0.00 -4.25 0.11 0.00 -0.57 0.00 0.00 43.02 38.31 1drs s PHE 40 CO 0.00 -1.36 0.23 -0.08 -0.10 0.00 0.00 175.22 173.91 1drs s THR 41 N 1.42 3.52 -1.14 0.64 -1.32 -1.26 -4.99 115.64 112.51 1drs s THR 41 Ca 0.39 -1.94 -0.03 0.00 -1.21 0.00 0.00 61.69 58.90 1drs s THR 41 Cb -0.04 -3.36 0.25 0.00 -1.51 0.00 0.00 72.50 67.83 1drs s THR 41 CO -0.02 -0.68 1.93 -0.81 -2.21 0.00 0.00 174.62 172.84 1drs n PRO 42 N 4.68 4.89 -3.67 7.08 -0.04 -1.26 -4.88 135.00 141.81 1drs n PRO 42 Ca -0.04 -4.21 -0.19 0.00 -0.04 0.00 0.00 63.50 59.02 1drs n PRO 42 Cb 0.41 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.14 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 -2.77 -0.04 0.25 0.54 0.52 -1.26 -5.04 118.95 111.16 1drs s ARG 43 Ca 0.42 0.45 0.25 0.00 -0.52 0.00 0.00 55.73 56.33 1drs s ARG 43 Cb 0.16 -0.42 0.65 0.00 0.52 0.00 0.00 34.95 35.86 1drs s ARG 43 CO -0.07 -0.32 1.68 0.78 0.02 0.00 0.00 175.30 177.39 1drs h GLY 44 N 8.41 0.00 -3.79 -3.53 0.00 -2.06 -3.28 103.07 98.82 1drs h GLY 44 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.84 1drs h GLY 44 CO 0.15 0.00 0.46 2.09 0.00 0.00 0.00 176.54 179.23 1drs n ASP 45 N -2.44 4.23 -4.11 0.19 5.75 -1.26 -4.90 116.55 114.01 1drs n ASP 45 Ca 0.05 -3.44 -0.28 0.00 -0.01 0.00 0.00 54.79 51.11 1drs n ASP 45 Cb 0.46 -0.79 -0.17 0.00 -1.03 0.00 0.00 41.12 39.59 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 -3.16 2.33 -0.63 0.11 1.75 -1.24 -5.09 119.30 113.37 1drs s MET 46 Ca 0.56 -0.63 -0.27 0.00 -1.25 0.00 0.00 55.69 54.11 1drs s MET 46 Cb 0.46 -1.85 -0.00 0.00 2.84 0.00 0.00 34.83 36.27 1drs s MET 46 CO 0.12 0.07 1.67 -2.14 -0.65 0.00 0.00 175.02 174.08 1drs s PRO 47 N 0.61 2.85 -0.37 4.11 0.02 -1.26 -4.95 135.00 136.01 1drs s PRO 47 Ca -0.15 0.40 -0.29 0.00 0.02 0.00 0.00 61.00 60.98 1drs s PRO 47 Cb -0.16 -4.30 0.02 0.00 0.02 0.00 0.00 34.50 30.07 1drs s PRO 47 CO 0.05 -2.48 1.20 0.20 -0.33 0.00 0.00 177.00 175.63 1drs s GLY 48 N 6.57 1.37 1.22 0.52 0.00 -1.26 -5.05 107.32 110.69 1drs s GLY 48 Ca 0.58 -0.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 1drs s GLY 48 CO 0.20 2.47 1.01 2.56 0.00 0.00 0.00 173.10 179.34 1drs s PRO 49 N 4.21 -1.33 0.36 2.90 0.04 -1.26 -5.08 135.00 134.83 1drs s PRO 49 Ca 0.51 0.61 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1drs s PRO 49 Cb -0.12 -1.52 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 1drs s PRO 49 CO 0.25 -3.94 0.53 1.52 0.04 0.00 0.00 177.00 175.40 1drs s TYR 50 N -2.48 3.28 0.19 0.56 1.13 -1.20 -4.91 117.35 113.93 1drs s TYR 50 Ca 0.68 0.08 -0.10 0.00 -1.41 0.00 0.00 57.07 56.33 1drs s TYR 50 Cb -0.22 -2.01 -0.01 0.00 -1.10 0.00 0.00 41.96 38.62 1drs s TYR 50 CO 0.63 -0.03 0.33 0.00 -2.51 0.00 0.00 175.55 173.97 1drs n GLU 53 N 0.11 3.39 -3.95 0.00 0.28 -1.26 -1.93 120.64 117.28 1drs n GLU 53 Ca -0.13 -3.96 -0.09 0.00 -0.16 0.00 0.00 57.16 52.83 1drs n GLU 53 Cb 0.60 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.15 1drs n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1drs s SER 54 N -3.17 -0.07 -0.34 -1.84 0.01 -1.26 -4.89 113.70 102.12 1drs s SER 54 Ca 0.54 -0.88 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 1drs s SER 54 Cb 0.43 0.65 -0.02 0.00 0.21 0.00 0.00 66.02 67.30 1drs s SER 54 CO 0.03 -1.25 1.76 -0.62 0.41 0.00 0.00 173.24 173.57 1drs s ASP 55 N -3.01 5.93 0.00 2.44 2.15 -1.26 -4.28 116.67 118.64 1drs s ASP 55 Ca 0.19 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.40 1drs s ASP 55 Cb -0.03 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1drs s ASP 55 CO 0.09 -1.69 0.00 0.29 -0.17 0.00 0.00 175.17 173.69 1drs n LYS 56 N 8.41 0.00 0.00 4.34 4.01 -1.17 -4.87 118.16 128.88 1drs n LYS 56 Ca 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1drs n LYS 56 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 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 2.35 -2.80 0.00 0.00 0.23 -1.26 -5.18 115.26 108.60 1drs n ASN 58 Ca 0.00 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 50.90 1drs n ASN 58 Cb 0.00 1.61 0.00 0.00 -2.08 0.00 0.00 39.78 39.31 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51