#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 4.26 0.35 5.15 1.01 -1.26 -2.13 121.20 128.58 1drs s ILE 2 Ca 0.00 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.29 1drs s ILE 2 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1drs s ILE 2 CO 0.00 0.01 0.22 0.00 0.00 0.00 0.00 174.94 175.17 1drs s TYR 4 N -3.40 2.41 -0.14 0.00 1.51 -1.26 -0.46 117.35 116.00 1drs s TYR 4 Ca 0.35 -0.64 0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1drs s TYR 4 Cb 0.03 -1.97 0.23 0.00 -0.11 0.00 0.00 41.96 40.13 1drs s TYR 4 CO 0.23 0.01 1.22 0.27 -1.11 0.00 0.00 175.55 176.17 1drs n ASN 5 N -1.39 -0.77 -2.37 2.29 0.23 -1.09 -3.81 115.26 108.35 1drs n ASN 5 Ca -0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1drs n ASN 5 Cb 0.64 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1drs n HIS 6 N -0.56 -3.10 -4.51 -2.53 8.25 -1.22 -4.79 115.22 106.76 1drs n HIS 6 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1drs n HIS 6 Cb 0.82 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.93 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 4.77 -0.14 -4.65 117.00 119.39 1drs n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1drs n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1drs n LEU 7 CO 0.00 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1drs n GLY 8 N 0.00 2.07 0.25 -0.72 0.00 -1.26 -3.35 105.19 102.17 1drs n GLY 8 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.93 2.61 -1.04 -1.26 -5.07 114.28 105.58 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 -0.03 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.12 3.96 0.00 -2.82 -0.14 -1.21 -5.08 119.74 113.33 1drs s LYS 10 Ca 0.00 -0.34 0.26 0.00 -1.36 0.00 0.00 55.97 54.52 1drs s LYS 10 Cb 0.00 -3.27 0.60 0.00 -1.68 0.00 0.00 37.83 33.48 1drs s LYS 10 CO 0.00 0.20 1.48 -2.30 -0.76 0.00 0.00 175.35 173.97 1drs n PRO 11 N 3.77 1.49 0.08 -1.68 -0.02 -1.26 -0.97 135.00 136.41 1drs n PRO 11 Ca -0.16 -1.04 0.12 0.00 -2.02 0.00 0.00 63.50 60.39 1drs n PRO 11 Cb 0.52 -1.48 0.04 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.15 0.50 -3.11 0.52 -0.02 -1.26 -4.61 135.00 127.17 1drs n PRO 12 Ca 0.14 0.10 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 1drs n PRO 12 Cb 0.42 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.30 4.56 0.02 3.45 -4.23 -1.26 -5.02 115.64 109.85 1drs s THR 13 Ca 0.02 1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1drs s THR 13 Cb 0.11 -3.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 1drs s THR 13 CO 0.78 0.35 -0.02 0.42 -0.54 0.00 0.00 174.62 175.60 1drs s THR 14 N -1.35 0.09 -0.21 3.99 -4.23 -1.26 -2.67 115.64 110.01 1drs s THR 14 Ca 0.38 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1drs s THR 14 Cb -0.19 -0.23 0.01 0.00 1.34 0.00 0.00 72.50 73.43 1drs s THR 14 CO 0.22 -0.42 -0.11 -1.61 -0.54 0.00 0.00 174.62 172.15 1drs s GLU 15 N -1.24 3.14 -0.49 3.99 0.41 0.39 -4.99 118.70 119.91 1drs s GLU 15 Ca -0.14 -0.76 -0.28 0.00 -0.41 0.00 0.00 54.97 53.39 1drs s GLU 15 Cb -0.08 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.46 1drs s GLU 15 CO -0.01 -0.23 1.44 0.99 -0.49 0.00 0.00 175.26 176.97 1drs s THR 16 N 1.38 3.81 0.06 3.63 2.01 -1.26 -2.03 115.64 123.24 1drs s THR 16 Ca 0.05 0.75 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1drs s THR 16 Cb -0.14 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1drs s THR 16 CO -0.08 -0.96 -0.13 0.00 -0.69 0.00 0.00 174.62 172.76 1drs h GLN 18 N 4.15 0.00 -6.41 0.00 3.07 -1.94 0.18 115.11 114.15 1drs h GLN 18 Ca -0.48 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.72 1drs h GLN 18 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 1drs h GLN 18 CO 0.50 0.00 0.54 -1.21 0.09 0.00 0.00 178.83 178.75 1drs s GLU 19 N -3.33 4.45 0.00 0.06 0.41 -1.26 -4.74 118.70 114.29 1drs s GLU 19 Ca 0.01 1.63 0.05 0.00 -0.41 0.00 0.00 54.97 56.25 1drs s GLU 19 Cb 0.10 -3.43 0.27 0.00 -1.78 0.00 0.00 34.13 29.29 1drs s GLU 19 CO 0.78 -0.25 0.71 -0.25 -0.49 0.00 0.00 175.26 175.76 1drs n ASP 20 N 4.26 0.00 -3.90 -0.19 8.00 -1.26 -3.49 116.55 119.97 1drs n ASP 20 Ca 0.09 -0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 1drs n ASP 20 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 1drs n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1drs s SER 21 N -1.98 0.10 -0.08 -2.24 0.01 -1.26 -4.75 113.70 103.50 1drs s SER 21 Ca 0.07 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 1drs s SER 21 Cb 0.03 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.51 1drs s SER 21 CO 0.05 -0.43 0.40 0.00 0.41 0.00 0.00 173.24 173.67 1drs s TYR 23 N -0.63 2.51 -0.39 0.00 -0.85 -0.45 -1.33 117.35 116.22 1drs s TYR 23 Ca -0.07 -0.29 -0.17 0.00 -0.52 0.00 0.00 57.07 56.02 1drs s TYR 23 Cb -0.04 -1.45 0.01 0.00 0.38 0.00 0.00 41.96 40.86 1drs s TYR 23 CO 0.03 0.23 0.43 0.15 -1.52 0.00 0.00 175.55 174.87 1drs s LYS 24 N -1.39 3.32 -0.15 -3.49 1.02 -0.13 -2.76 119.74 116.16 1drs s LYS 24 Ca 0.14 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 1drs s LYS 24 Cb -0.10 -3.89 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 1drs s LYS 24 CO 0.04 -0.73 -0.14 1.21 -0.92 0.00 0.00 175.35 174.82 1drs s ASN 25 N 1.79 3.80 0.00 2.83 2.47 -1.26 -3.24 114.94 121.32 1drs s ASN 25 Ca 0.13 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1drs s ASN 25 Cb -0.17 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1drs s ASN 25 CO 0.13 0.09 0.00 2.30 -3.72 0.00 0.00 177.10 175.91 1drs n ILE 26 N 4.00 0.00 0.00 -5.21 -0.00 -1.26 -2.34 119.36 114.55 1drs n ILE 26 Ca -0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 1drs n ILE 26 Cb 0.52 0.42 0.00 0.00 -0.00 0.00 0.00 39.64 40.58 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 -1.15 0.00 -0.37 4.28 2.14 -1.25 -4.23 117.44 116.85 1drs n TRP 27 Ca 0.00 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.59 1drs n TRP 27 Cb 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 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 -0.47 -0.24 -1.67 5.66 -1.26 -1.21 114.28 115.09 1drs n THR 28 Ca 0.00 0.30 0.01 0.00 -3.05 0.00 0.00 64.05 61.31 1drs n THR 28 Cb 0.00 -0.47 0.13 0.00 -1.55 0.00 0.00 70.33 68.44 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 -0.17 0.61 0.00 1.09 0.04 -2.00 -2.20 116.94 114.32 1drs h PHE 29 Ca -0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1drs h PHE 29 Cb 0.29 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1drs h PHE 29 CO 0.02 0.22 0.00 -0.40 -0.60 0.00 0.00 178.31 177.55 1drs n ASP 30 N -4.87 0.00 -3.37 2.17 5.68 -1.26 -4.95 116.55 109.94 1drs n ASP 30 Ca 0.10 -1.33 -0.13 0.00 -0.50 0.00 0.00 54.79 52.94 1drs n ASP 30 Cb 0.26 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.26 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1drs n ASN 31 N -0.78 -6.52 -3.79 -1.12 3.02 -0.83 -4.98 115.26 100.26 1drs n ASN 31 Ca 0.13 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 54.06 1drs n ASN 31 Cb 0.06 -4.01 -0.05 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.10 0.04 -0.67 2.41 1.10 -0.35 -5.04 121.20 115.59 1drs s ILE 32 Ca 0.11 -0.91 -0.20 0.00 -0.51 0.00 0.00 60.65 59.14 1drs s ILE 32 Cb -0.03 -1.61 0.10 0.00 0.15 0.00 0.00 42.46 41.07 1drs s ILE 32 CO 0.81 -0.18 0.84 -0.63 -2.11 0.00 0.00 174.94 173.67 1drs s ILE 33 N -3.89 4.70 -0.08 2.00 1.09 -1.26 -3.88 121.20 119.89 1drs s ILE 33 Ca 0.11 -0.97 -0.03 0.00 -1.10 0.00 0.00 60.65 58.66 1drs s ILE 33 Cb 0.00 -4.59 0.04 0.00 -1.06 0.00 0.00 42.46 36.86 1drs s ILE 33 CO -0.03 -1.28 0.16 -0.60 -0.10 0.00 0.00 174.94 173.09 1drs s ARG 34 N 2.96 0.07 0.00 2.79 3.52 -0.99 -4.76 118.95 122.54 1drs s ARG 34 Ca 0.18 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 1drs s ARG 34 Cb -0.19 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 1drs s ARG 34 CO 0.04 -0.24 0.00 2.89 -0.81 0.00 0.00 175.30 177.19 1drs n ARG 35 N 4.76 0.00 -1.38 5.12 -4.01 -1.26 -4.48 116.66 115.41 1drs n ARG 35 Ca -0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 1drs n ARG 35 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 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 1.21 3.57 2.89 0.00 -1.11 -4.29 105.19 107.47 1drs n GLY 36 Ca 0.00 -0.88 -0.40 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 4.81 -1.84 7.00 0.00 0.00 -1.02 -4.97 105.19 109.17 1drs n GLY 38 Ca -0.08 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.06 -2.18 -3.80 0.00 3.72 -1.26 -5.03 117.46 108.85 1drs n PHE 40 Ca 0.00 0.80 -0.30 0.00 -0.05 0.00 0.00 57.45 57.90 1drs n PHE 40 Cb 0.00 -3.70 -0.14 0.00 -0.94 0.00 0.00 39.48 34.70 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 -3.15 1.50 -0.95 4.37 -1.32 -1.26 -5.07 115.64 109.76 1drs s THR 41 Ca 0.18 -2.21 -0.03 0.00 -1.21 0.00 0.00 61.69 58.42 1drs s THR 41 Cb -0.02 -2.09 0.24 0.00 -1.51 0.00 0.00 72.50 69.11 1drs s THR 41 CO 0.59 -0.76 0.87 -0.81 -2.21 0.00 0.00 174.62 172.31 1drs n PRO 42 N 4.06 2.87 -3.61 7.08 -0.04 -1.26 -4.97 135.00 139.12 1drs n PRO 42 Ca 0.04 -4.48 -0.13 0.00 -0.04 0.00 0.00 63.50 58.88 1drs n PRO 42 Cb 0.38 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 1drs n PRO 42 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1drs s ARG 43 N -1.42 0.98 -0.02 0.54 3.52 -1.26 -5.11 118.95 116.19 1drs s ARG 43 Ca 0.29 -0.28 0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1drs s ARG 43 Cb -0.07 0.45 -0.19 0.00 -1.56 0.00 0.00 34.95 33.57 1drs s ARG 43 CO -0.11 -0.35 0.64 0.41 -0.81 0.00 0.00 175.30 175.08 1drs n GLY 44 N 0.46 -1.09 2.07 8.12 0.00 -1.26 -4.35 105.19 109.14 1drs n GLY 44 Ca -0.18 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.89 5.37 -3.40 1.61 5.75 -1.26 -4.88 116.55 116.85 1drs n ASP 45 Ca -0.15 -3.76 -0.18 0.00 -0.01 0.00 0.00 54.79 50.70 1drs n ASP 45 Cb 0.95 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 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 -3.64 0.33 -0.48 0.11 0.00 -1.26 -5.13 119.30 109.23 1drs s MET 46 Ca 0.53 -0.18 -0.17 0.00 0.00 0.00 0.00 55.69 55.87 1drs s MET 46 Cb 0.43 -0.68 0.06 0.00 0.00 0.00 0.00 34.83 34.64 1drs s MET 46 CO 0.03 -1.04 0.49 -1.25 0.00 0.00 0.00 175.02 173.25 1drs s PRO 47 N 2.32 3.05 0.35 4.11 0.04 -1.26 -4.76 135.00 138.85 1drs s PRO 47 Ca 0.10 -1.09 -0.07 0.00 0.04 0.00 0.00 61.00 59.98 1drs s PRO 47 Cb -0.14 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1drs s PRO 47 CO -0.32 -1.08 0.66 0.20 0.04 0.00 0.00 177.00 176.50 1drs s GLY 48 N 2.53 1.83 0.65 0.56 0.00 -1.26 -5.07 107.32 106.56 1drs s GLY 48 Ca 0.09 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 1drs s GLY 48 CO 0.10 -0.29 0.56 -1.55 0.00 0.00 0.00 173.10 171.92 1drs n PRO 49 N -1.23 0.44 -2.71 2.90 -0.04 -1.26 -4.96 135.00 128.13 1drs n PRO 49 Ca -0.00 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 1drs n PRO 49 Cb 0.54 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1drs s TYR 50 N -1.80 3.19 0.28 0.54 -0.85 -1.20 -4.81 117.35 112.70 1drs s TYR 50 Ca 0.68 1.60 0.11 0.00 -0.52 0.00 0.00 57.07 58.94 1drs s TYR 50 Cb -0.39 -2.94 -0.05 0.00 0.38 0.00 0.00 41.96 38.96 1drs s TYR 50 CO 0.55 -0.40 -0.16 0.00 -1.52 0.00 0.00 175.55 174.03 1drs n GLU 53 N -0.15 1.65 -4.17 0.00 0.28 -1.26 -1.61 120.64 115.39 1drs n GLU 53 Ca -0.09 -3.60 -0.14 0.00 -0.16 0.00 0.00 57.16 53.17 1drs n GLU 53 Cb 0.58 -1.57 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 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 -3.09 0.66 0.08 -1.84 0.15 -1.26 -5.01 113.70 103.38 1drs s SER 54 Ca 0.34 -1.43 -0.31 0.00 0.70 0.00 0.00 55.95 55.26 1drs s SER 54 Cb 0.42 0.52 -0.08 0.00 -1.71 0.00 0.00 66.02 65.17 1drs s SER 54 CO -0.03 -1.04 1.57 -0.62 1.20 0.00 0.00 173.24 174.31 1drs s ASP 55 N -3.21 6.66 0.00 5.45 2.15 -1.26 -4.48 116.67 121.99 1drs s ASP 55 Ca 0.35 2.43 0.00 0.00 0.43 0.00 0.00 52.55 55.76 1drs s ASP 55 Cb 0.03 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1drs s ASP 55 CO 0.17 -0.83 0.00 0.29 -0.17 0.00 0.00 175.17 174.64 1drs n LYS 56 N 5.13 0.00 -1.73 4.34 4.76 -1.03 -4.75 118.16 124.88 1drs n LYS 56 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1drs n LYS 56 Cb 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1drs n ASN 58 N -0.89 -5.21 0.00 0.00 3.02 -1.26 -5.08 115.26 105.83 1drs n ASN 58 Ca 0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1drs n ASN 58 Cb 0.44 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53