#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 3.01 0.12 5.15 -1.09 -1.26 -1.18 121.20 125.95 1drs s ILE 2 Ca 0.00 -1.05 0.09 0.00 -2.23 0.00 0.00 60.65 57.45 1drs s ILE 2 Cb 0.00 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 1drs s ILE 2 CO 0.00 0.13 -0.21 0.00 -1.23 0.00 0.00 174.94 173.63 1drs s TYR 4 N -1.34 3.57 -0.13 0.00 2.02 -1.26 -0.99 117.35 119.22 1drs s TYR 4 Ca 0.10 0.58 0.15 0.00 -0.37 0.00 0.00 57.07 57.52 1drs s TYR 4 Cb -0.09 -2.00 0.32 0.00 -0.40 0.00 0.00 41.96 39.79 1drs s TYR 4 CO 0.05 0.59 1.16 0.27 -1.57 0.00 0.00 175.55 176.05 1drs n ASN 5 N 1.01 1.67 -3.01 2.29 6.94 -1.10 -3.96 115.26 119.10 1drs n ASN 5 Ca -0.10 -3.13 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 1drs n ASN 5 Cb 0.53 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.93 -1.09 -0.80 -2.53 8.25 -0.98 -4.73 115.22 112.41 1drs n HIS 6 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 1drs n HIS 6 Cb 0.72 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.40 0.00 2.41 4.77 -1.25 -4.69 117.00 117.84 1drs n LEU 7 Ca 0.00 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1drs n LEU 7 Cb 0.00 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 1drs n LEU 7 CO 0.00 -2.13 0.00 0.61 -1.33 0.00 0.00 177.39 174.54 1drs n GLY 8 N -2.85 0.67 0.00 -0.72 0.00 -1.26 -3.97 105.19 97.05 1drs n GLY 8 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 0.00 -1.32 2.61 -1.04 -1.26 -4.96 114.28 105.77 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 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 2.21 1.09 -2.82 3.01 -1.26 -5.06 119.74 116.91 1drs s LYS 10 Ca 0.00 1.05 -0.15 0.00 -1.01 0.00 0.00 55.97 55.86 1drs s LYS 10 Cb 0.00 -1.90 0.23 0.00 -1.01 0.00 0.00 37.83 35.15 1drs s LYS 10 CO 0.00 -1.64 1.10 -2.14 0.51 0.00 0.00 175.35 173.18 1drs s PRO 11 N -4.95 -0.30 0.66 -1.68 0.02 -1.26 -3.84 135.00 123.65 1drs s PRO 11 Ca 0.61 0.26 -0.16 0.00 0.02 0.00 0.00 61.00 61.73 1drs s PRO 11 Cb -0.17 -1.68 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 1drs s PRO 11 CO 0.56 -3.16 1.15 -2.14 -0.33 0.00 0.00 177.00 173.08 1drs s PRO 12 N -5.15 2.71 -0.29 5.54 0.02 -1.26 -4.47 135.00 132.11 1drs s PRO 12 Ca 0.68 1.57 -0.19 0.00 0.02 0.00 0.00 61.00 63.08 1drs s PRO 12 Cb -0.15 -1.92 0.15 0.00 0.02 0.00 0.00 34.50 32.60 1drs s PRO 12 CO 0.57 -1.35 1.05 0.95 -0.33 0.00 0.00 177.00 177.89 1drs s THR 13 N -2.09 0.00 0.05 0.99 -4.23 -1.26 -5.01 115.64 104.10 1drs s THR 13 Ca 0.71 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1drs s THR 13 Cb -0.24 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 1drs s THR 13 CO 0.40 0.00 -0.20 0.42 -0.54 0.00 0.00 174.62 174.70 1drs s THR 14 N 0.98 1.61 -0.54 3.99 -4.23 -1.26 -2.31 115.64 113.88 1drs s THR 14 Ca -0.05 -1.24 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1drs s THR 14 Cb -0.04 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.52 1drs s THR 14 CO -0.13 0.13 0.45 -0.70 -0.54 0.00 0.00 174.62 173.83 1drs s GLU 15 N -1.32 2.79 -0.16 3.99 2.12 -0.16 -4.89 118.70 121.07 1drs s GLU 15 Ca 0.06 -1.85 -0.29 0.00 0.36 0.00 0.00 54.97 53.25 1drs s GLU 15 Cb -0.09 -4.11 -0.02 0.00 0.26 0.00 0.00 34.13 30.16 1drs s GLU 15 CO 0.02 -1.26 1.40 0.99 -0.54 0.00 0.00 175.26 175.87 1drs s THR 16 N 1.27 4.04 0.09 -1.70 2.01 -1.26 -2.70 115.64 117.38 1drs s THR 16 Ca 0.06 1.23 -0.08 0.00 0.31 0.00 0.00 61.69 63.21 1drs s THR 16 Cb -0.26 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 1drs s THR 16 CO -0.00 -0.18 0.18 0.00 -0.69 0.00 0.00 174.62 173.93 1drs n GLN 18 N -0.06 0.74 -4.12 0.00 1.13 -1.26 0.72 117.38 114.53 1drs n GLN 18 Ca -0.15 -3.18 -0.33 0.00 -1.94 0.00 0.00 57.00 51.40 1drs n GLN 18 Cb 0.62 -1.27 -0.16 0.00 0.11 0.00 0.00 30.24 29.54 1drs n GLN 18 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1drs s GLU 19 N -1.25 3.01 0.15 -1.09 2.56 -1.26 -5.05 118.70 115.77 1drs s GLU 19 Ca 0.35 -0.82 -0.07 0.00 0.00 0.00 0.00 54.97 54.44 1drs s GLU 19 Cb 0.19 -2.59 0.21 0.00 2.00 0.00 0.00 34.13 33.95 1drs s GLU 19 CO -0.11 -0.21 0.89 -0.25 -0.56 0.00 0.00 175.26 175.02 1drs n ASP 20 N 4.62 -0.27 -4.05 -1.70 9.92 -1.26 -4.15 116.55 119.66 1drs n ASP 20 Ca -0.21 0.98 -0.17 0.00 -0.53 0.00 0.00 54.79 54.86 1drs n ASP 20 Cb 0.50 -0.27 -0.13 0.00 -0.64 0.00 0.00 41.12 40.58 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1drs s SER 21 N -5.17 1.09 0.10 -2.24 0.01 -1.26 -4.71 113.70 101.51 1drs s SER 21 Ca -0.08 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 56.95 1drs s SER 21 Cb 0.14 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1drs s SER 21 CO 0.43 0.00 -0.25 0.00 0.41 0.00 0.00 173.24 173.83 1drs s TYR 23 N -1.01 2.21 -0.26 0.00 -0.85 -0.38 -2.53 117.35 114.53 1drs s TYR 23 Ca 0.11 -0.46 -0.06 0.00 -0.52 0.00 0.00 57.07 56.14 1drs s TYR 23 Cb -0.10 -1.11 -0.00 0.00 0.38 0.00 0.00 41.96 41.13 1drs s TYR 23 CO 0.04 0.57 0.04 0.15 -1.52 0.00 0.00 175.55 174.84 1drs s LYS 24 N -3.59 3.26 -0.11 -3.49 3.01 -0.11 -2.61 119.74 116.10 1drs s LYS 24 Ca 0.30 -0.73 0.03 0.00 -1.01 0.00 0.00 55.97 54.55 1drs s LYS 24 Cb -0.01 -3.25 -0.01 0.00 -1.01 0.00 0.00 37.83 33.56 1drs s LYS 24 CO 0.14 -0.33 -0.20 1.21 0.51 0.00 0.00 175.35 176.68 1drs s ASN 25 N 1.51 3.41 -0.01 2.83 2.47 -1.26 -2.34 114.94 121.55 1drs s ASN 25 Ca 0.04 -0.48 0.24 0.00 0.42 0.00 0.00 52.86 53.08 1drs s ASN 25 Cb -0.16 -1.48 0.40 0.00 -1.45 0.00 0.00 41.25 38.56 1drs s ASN 25 CO 0.01 0.16 1.16 2.30 -3.72 0.00 0.00 177.10 177.01 1drs n ILE 26 N 3.52 0.04 0.00 -5.21 -0.00 -1.26 -1.98 119.36 114.47 1drs n ILE 26 Ca -0.19 -0.98 0.00 0.00 -0.00 0.00 0.00 62.75 61.58 1drs n ILE 26 Cb 0.53 0.97 0.00 0.00 -0.00 0.00 0.00 39.64 41.14 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 0.42 0.00 -1.07 4.28 2.14 -0.91 -4.71 117.44 117.59 1drs n TRP 27 Ca 0.03 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.74 1drs n TRP 27 Cb 1.10 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.55 1drs n TRP 27 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1drs n THR 28 N 0.00 0.00 0.00 -1.67 -1.04 -1.26 -0.79 114.28 109.52 1drs n THR 28 Ca 0.00 0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 62.28 1drs n THR 28 Cb 0.00 -0.72 0.07 0.00 -1.82 0.00 0.00 70.33 67.86 1drs n THR 28 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1drs h PHE 29 N -1.03 0.68 0.00 -1.42 3.57 -2.01 -2.27 116.94 114.47 1drs h PHE 29 Ca -0.06 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1drs h PHE 29 Cb 1.01 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1drs h PHE 29 CO -0.03 0.95 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.56 1drs h ASP 30 N 0.43 0.00 -3.89 0.41 3.32 -1.93 -3.47 116.42 111.29 1drs h ASP 30 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1drs h ASP 30 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1drs h ASP 30 CO 0.10 0.01 -0.15 0.59 -1.72 0.00 0.00 179.24 178.07 1drs n ASN 31 N -3.55 -4.28 -3.59 6.45 3.02 -0.85 -4.92 115.26 107.53 1drs n ASN 31 Ca -0.03 0.16 0.02 0.00 -0.03 0.00 0.00 54.58 54.70 1drs n ASN 31 Cb 0.09 -2.69 -0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1drs s ILE 32 N -1.92 0.00 -0.58 2.41 1.10 0.03 -4.95 121.20 117.29 1drs s ILE 32 Ca 0.08 -0.14 -0.19 0.00 -0.51 0.00 0.00 60.65 59.89 1drs s ILE 32 Cb -0.02 -2.00 0.09 0.00 0.15 0.00 0.00 42.46 40.68 1drs s ILE 32 CO 0.29 0.00 0.69 -0.63 -2.11 0.00 0.00 174.94 173.19 1drs s ILE 33 N -2.26 4.82 -0.15 2.00 1.09 -1.26 -2.14 121.20 123.31 1drs s ILE 33 Ca 0.14 -0.89 -0.10 0.00 -1.10 0.00 0.00 60.65 58.70 1drs s ILE 33 Cb 0.06 -4.46 0.05 0.00 -1.06 0.00 0.00 42.46 37.05 1drs s ILE 33 CO -0.05 -1.07 0.37 -0.60 -0.10 0.00 0.00 174.94 173.49 1drs s ARG 34 N 2.70 0.39 0.04 2.79 3.52 -0.84 -4.80 118.95 122.75 1drs s ARG 34 Ca 0.12 0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 56.22 1drs s ARG 34 Cb -0.23 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.28 1drs s ARG 34 CO 0.07 -0.11 0.57 2.89 -0.81 0.00 0.00 175.30 177.92 1drs n ARG 35 N 3.58 0.21 -3.33 5.12 1.85 -1.25 -4.45 116.66 118.39 1drs n ARG 35 Ca -0.19 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.10 1drs n ARG 35 Cb 0.56 0.82 0.00 0.00 -1.05 0.00 0.00 32.46 32.79 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 -0.40 -1.14 3.67 2.89 0.00 -1.07 -4.12 105.19 105.02 1drs n GLY 36 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 3.75 -0.87 1.49 0.00 0.00 -1.12 -4.95 105.19 103.48 1drs n GLY 38 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.14 -3.59 0.00 3.72 -1.26 -4.99 117.46 109.20 1drs n PHE 40 Ca 0.00 0.78 -0.27 0.00 -0.05 0.00 0.00 57.45 57.91 1drs n PHE 40 Cb 0.00 -4.19 -0.10 0.00 -0.94 0.00 0.00 39.48 34.25 1drs n PHE 40 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1drs n THR 41 N -4.25 1.11 -2.95 4.37 5.66 -1.26 -5.00 114.28 111.95 1drs n THR 41 Ca -0.04 -4.64 -0.41 0.00 -3.05 0.00 0.00 64.05 55.92 1drs n THR 41 Cb 0.56 -2.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 1drs n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1drs n PRO 42 N 1.71 4.53 -3.64 1.09 -0.04 -1.26 -4.90 135.00 132.49 1drs n PRO 42 Ca 0.25 -4.60 -0.08 0.00 -0.04 0.00 0.00 63.50 59.02 1drs n PRO 42 Cb 0.41 -2.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1drs n PRO 42 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1drs s ARG 43 N -3.14 0.71 0.48 0.54 1.70 -1.26 -5.07 118.95 112.90 1drs s ARG 43 Ca 0.34 1.10 0.28 0.00 -0.47 0.00 0.00 55.73 56.98 1drs s ARG 43 Cb 0.09 0.21 0.85 0.00 -0.57 0.00 0.00 34.95 35.53 1drs s ARG 43 CO 0.04 -0.13 1.79 0.78 -1.08 0.00 0.00 175.30 176.70 1drs h GLY 44 N 6.30 0.00 -3.21 3.88 0.00 -2.02 -3.27 103.07 104.74 1drs h GLY 44 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.78 1drs h GLY 44 CO 0.13 0.00 0.32 2.09 0.00 0.00 0.00 176.54 179.08 1drs n ASP 45 N -3.04 3.78 -3.28 0.19 5.75 -1.26 -4.34 116.55 114.35 1drs n ASP 45 Ca 0.02 -2.98 -0.08 0.00 -0.01 0.00 0.00 54.79 51.75 1drs n ASP 45 Cb 0.41 -0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.29 0.69 0.75 0.11 0.00 -1.23 -5.17 119.30 112.16 1drs s MET 46 Ca 0.39 -0.44 -0.14 0.00 0.00 0.00 0.00 55.69 55.50 1drs s MET 46 Cb 0.32 -0.29 0.05 0.00 0.00 0.00 0.00 34.83 34.91 1drs s MET 46 CO 0.09 -1.17 1.17 -2.14 0.00 0.00 0.00 175.02 172.97 1drs s PRO 47 N 1.79 2.11 0.20 4.11 0.02 -1.26 -4.80 135.00 137.16 1drs s PRO 47 Ca 0.15 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 62.57 1drs s PRO 47 Cb -0.10 -1.84 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1drs s PRO 47 CO -0.09 -1.83 1.03 0.20 -0.33 0.00 0.00 177.00 175.98 1drs s GLY 48 N -2.34 0.17 0.64 0.52 0.00 -1.26 -5.15 107.32 99.91 1drs s GLY 48 Ca 0.71 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.90 1drs s GLY 48 CO 0.47 2.52 0.49 -1.05 0.00 0.00 0.00 173.10 175.53 1drs n PRO 49 N -0.71 -2.61 -4.92 2.90 -0.02 -1.26 -5.09 135.00 123.29 1drs n PRO 49 Ca -0.03 -0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 60.34 1drs n PRO 49 Cb 0.59 -0.84 -0.14 0.00 -0.02 0.00 0.00 33.50 33.09 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 -1.79 2.69 0.31 6.00 -0.85 -0.99 -4.98 117.35 117.74 1drs s TYR 50 Ca 0.34 -0.37 0.11 0.00 -0.52 0.00 0.00 57.07 56.63 1drs s TYR 50 Cb -0.04 -1.68 -0.06 0.00 0.38 0.00 0.00 41.96 40.56 1drs s TYR 50 CO 0.27 0.02 -0.15 0.00 -1.52 0.00 0.00 175.55 174.17 1drs n GLU 53 N -0.08 3.44 -4.05 0.00 0.00 -1.26 -2.37 120.64 116.33 1drs n GLU 53 Ca -0.16 -4.08 -0.09 0.00 0.00 0.00 0.00 57.16 52.83 1drs n GLU 53 Cb 0.63 -2.28 -0.09 0.00 0.00 0.00 0.00 31.44 29.70 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -3.28 0.22 -0.20 -1.84 0.15 -1.26 -5.02 113.70 102.47 1drs s SER 54 Ca 0.53 -1.01 -0.28 0.00 0.70 0.00 0.00 55.95 55.88 1drs s SER 54 Cb 0.42 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 65.02 1drs s SER 54 CO -0.01 -0.77 2.12 -0.62 1.20 0.00 0.00 173.24 175.17 1drs s ASP 55 N -2.99 5.65 0.00 5.45 2.15 -1.26 -3.47 116.67 122.20 1drs s ASP 55 Ca 0.18 1.90 0.00 0.00 0.43 0.00 0.00 52.55 55.06 1drs s ASP 55 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1drs s ASP 55 CO -0.02 -1.81 0.00 0.29 -0.17 0.00 0.00 175.17 173.47 1drs n LYS 56 N 8.55 0.00 0.00 4.34 4.01 -0.91 -4.79 118.16 129.36 1drs n LYS 56 Ca 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1drs n LYS 56 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 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 1.71 -1.41 0.00 0.00 0.23 -1.26 -5.08 115.26 109.44 1drs n ASN 58 Ca 0.00 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 1drs n ASN 58 Cb 0.00 1.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22