#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yql n SER 2 N 0.00 -6.34 -3.55 1.61 2.88 -1.26 -4.95 113.62 102.02 2yql n SER 2 Ca 0.00 -0.48 -0.28 0.00 -1.33 0.00 0.00 58.87 56.78 2yql n SER 2 Cb 0.00 -5.01 -0.08 0.00 -0.75 0.00 0.00 64.21 58.37 2yql n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yql n SER 3 N -2.88 3.83 -4.80 -3.46 7.64 -1.26 -5.08 113.62 107.62 2yql n SER 3 Ca -0.02 -3.40 -0.38 0.00 1.01 0.00 0.00 58.87 56.08 2yql n SER 3 Cb 0.58 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2yql n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yql s GLY 4 N -2.22 2.76 -0.17 0.23 0.00 -1.26 -5.05 107.32 101.61 2yql s GLY 4 Ca 0.37 0.27 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 2yql s GLY 4 CO -0.03 0.70 0.41 -0.45 0.00 0.00 0.00 173.10 173.72 2yql s SER 5 N -1.41 6.51 -0.27 1.64 0.15 -1.26 -5.05 113.70 114.02 2yql s SER 5 Ca 0.40 0.60 -0.03 0.00 0.70 0.00 0.00 55.95 57.62 2yql s SER 5 Cb -0.20 -2.24 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 2yql s SER 5 CO 0.23 -0.03 0.18 -0.44 1.20 0.00 0.00 173.24 174.38 2yql s SER 6 N 0.84 2.67 0.08 5.45 0.01 -1.26 -5.13 113.70 116.37 2yql s SER 6 Ca 0.21 -0.96 -0.26 0.00 1.31 0.00 0.00 55.95 56.25 2yql s SER 6 Cb -0.15 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.15 2yql s SER 6 CO 0.08 -0.40 1.14 -0.83 0.41 0.00 0.00 173.24 173.64 2yql s GLY 7 N 2.20 -0.17 -0.42 3.44 0.00 -1.26 -5.04 107.32 106.08 2yql s GLY 7 Ca 0.08 0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.99 2yql s GLY 7 CO -0.30 1.80 1.61 1.42 0.00 0.00 0.00 173.10 177.63 2yql n HIS 8 N -0.63 2.38 -4.72 1.90 -0.00 -1.26 -4.85 115.22 108.04 2yql n HIS 8 Ca -0.04 -2.22 0.00 0.00 -0.00 0.00 0.00 57.72 55.47 2yql n HIS 8 Cb 0.61 -0.78 -0.00 0.00 -0.00 0.00 0.00 29.99 29.81 2yql n HIS 8 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2yql n GLU 9 N -0.96 -0.05 -0.80 -0.41 1.02 -1.26 -3.85 120.64 114.33 2yql n GLU 9 Ca 0.48 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.61 2yql n GLU 9 Cb 0.98 -0.06 -0.04 0.00 -0.02 0.00 0.00 31.44 32.30 2yql n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yql n ASP 10 N -3.07 -0.60 -3.80 1.62 8.00 -1.26 -4.94 116.55 112.50 2yql n ASP 10 Ca 0.00 -1.58 -0.13 0.00 0.71 0.00 0.00 54.79 53.79 2yql n ASP 10 Cb 0.01 0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 2yql n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2yql s PHE 11 N 0.00 -0.21 0.25 1.24 0.08 -1.26 -4.88 117.98 113.20 2yql s PHE 11 Ca 0.00 0.51 -0.30 0.00 0.12 0.00 0.00 56.93 57.26 2yql s PHE 11 Cb 0.00 0.07 -0.14 0.00 -0.57 0.00 0.00 43.02 42.38 2yql s PHE 11 CO 0.00 -0.15 1.21 0.00 -0.10 0.00 0.00 175.22 176.18 2yql n SER 13 N 1.62 6.62 0.00 0.00 2.88 -1.19 -2.53 113.62 121.03 2yql n SER 13 Ca 0.11 -3.40 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2yql n SER 13 Cb 0.31 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2yql n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2yql n VAL 14 N -0.36 0.00 -0.01 2.46 0.31 -1.26 -4.95 118.33 114.52 2yql n VAL 14 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2yql n VAL 14 Cb 0.72 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 2yql n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yql n ARG 16 N -1.88 -2.72 -4.23 0.00 5.12 -1.05 -5.00 116.66 106.89 2yql n ARG 16 Ca -0.03 2.31 -0.18 0.00 -1.93 0.00 0.00 57.85 58.01 2yql n ARG 16 Cb 0.35 -5.00 -0.07 0.00 -1.16 0.00 0.00 32.46 26.58 2yql n ARG 16 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2yql s LYS 17 N -1.82 1.81 0.08 5.56 -0.14 -1.26 -4.89 119.74 119.07 2yql s LYS 17 Ca 0.08 -1.96 0.03 0.00 -1.36 0.00 0.00 55.97 52.77 2yql s LYS 17 Cb -0.02 0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 36.44 2yql s LYS 17 CO 0.69 -0.69 0.08 -1.54 -0.76 0.00 0.00 175.35 173.13 2yql s SER 18 N -3.34 5.52 0.00 2.83 1.04 -1.26 -4.03 113.70 114.45 2yql s SER 18 Ca 0.38 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2yql s SER 18 Cb 0.02 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2yql s SER 18 CO 0.26 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.26 2yql n GLY 19 N 0.45 0.62 3.73 7.32 0.00 -1.26 -5.07 105.19 110.98 2yql n GLY 19 Ca -0.09 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 2yql n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yql s GLN 20 N -1.68 4.41 0.08 1.61 1.11 -1.26 -5.06 119.66 118.87 2yql s GLN 20 Ca 0.00 0.81 0.06 0.00 0.01 0.00 0.00 55.36 56.24 2yql s GLN 20 Cb 0.00 -3.42 -0.03 0.00 -1.01 0.00 0.00 33.01 28.55 2yql s GLN 20 CO 0.00 0.14 -0.15 -0.51 0.01 0.00 0.00 175.29 174.78 2yql s LEU 21 N 0.55 2.28 0.41 2.90 1.43 -1.26 -4.79 118.68 120.21 2yql s LEU 21 Ca 0.35 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2yql s LEU 21 Cb -0.18 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 2yql s LEU 21 CO 0.17 -0.05 0.81 -0.22 0.23 0.00 0.00 176.35 177.29 2yql s LEU 22 N -1.77 3.82 -0.04 1.79 2.96 -0.69 -4.89 118.68 119.86 2yql s LEU 22 Ca -0.00 1.23 0.07 0.00 -0.22 0.00 0.00 54.13 55.21 2yql s LEU 22 Cb -0.10 -4.11 -0.02 0.00 0.50 0.00 0.00 46.19 42.46 2yql s LEU 22 CO 0.03 -0.41 -0.25 -0.04 -1.32 0.00 0.00 176.35 174.36 2yql s MET 23 N -3.78 2.28 0.28 1.98 -1.94 -1.26 -2.33 119.30 114.53 2yql s MET 23 Ca 0.53 -0.90 -0.21 0.00 -1.71 0.00 0.00 55.69 53.39 2yql s MET 23 Cb -0.10 -2.06 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 2yql s MET 23 CO 0.30 0.47 0.82 0.00 -0.01 0.00 0.00 175.02 176.59 2yql n ASP 25 N 0.45 7.16 0.07 0.00 -0.08 -1.25 -4.50 116.55 118.41 2yql n ASP 25 Ca 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 49.78 2yql n ASP 25 Cb 0.51 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.93 2yql n ASP 25 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2yql n THR 26 N -0.26 0.00 -1.85 5.18 -1.04 -1.26 -5.05 114.28 110.00 2yql n THR 26 Ca 0.50 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2yql n THR 26 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2yql n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yql n SER 28 N -3.00 3.94 -3.81 0.00 7.64 -1.26 -4.67 113.62 112.46 2yql n SER 28 Ca 0.00 -3.50 -0.12 0.00 1.01 0.00 0.00 58.87 56.25 2yql n SER 28 Cb 0.00 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 2yql n SER 28 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yql s ARG 29 N -2.72 0.34 0.10 1.43 3.00 -1.26 -4.57 118.95 115.27 2yql s ARG 29 Ca 0.42 0.12 0.04 0.00 0.00 0.00 0.00 55.73 56.32 2yql s ARG 29 Cb 0.18 0.15 -0.04 0.00 0.00 0.00 0.00 34.95 35.25 2yql s ARG 29 CO -0.04 -0.06 0.05 0.14 0.00 0.00 0.00 175.30 175.39 2yql s VAL 30 N -0.31 4.29 -0.13 3.52 -7.23 -1.25 -3.54 120.40 115.75 2yql s VAL 30 Ca -0.04 -0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 2yql s VAL 30 Cb -0.03 -3.09 0.05 0.00 0.56 0.00 0.00 36.38 33.87 2yql s VAL 30 CO 0.01 0.07 0.33 -0.31 -0.31 0.00 0.00 175.10 174.89 2yql s TYR 31 N -1.44 -0.43 1.35 2.82 2.02 -0.98 -3.17 117.35 117.52 2yql s TYR 31 Ca 0.28 0.99 -0.22 0.00 -0.37 0.00 0.00 57.07 57.76 2yql s TYR 31 Cb -0.11 0.15 0.34 0.00 -0.40 0.00 0.00 41.96 41.93 2yql s TYR 31 CO 0.21 -0.25 0.76 0.72 -1.57 0.00 0.00 175.55 175.42 2yql n HIS 32 N 3.74 -3.49 0.02 2.71 8.25 -1.26 -1.70 115.22 123.49 2yql n HIS 32 Ca -0.20 -0.63 -0.01 0.00 -0.26 0.00 0.00 57.72 56.62 2yql n HIS 32 Cb 0.55 -1.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.31 2yql n HIS 32 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yql n LEU 33 N 0.00 0.78 -0.01 2.41 4.77 -1.26 -4.16 117.00 119.53 2yql n LEU 33 Ca 0.12 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 2yql n LEU 33 Cb 0.52 0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.55 2yql n LEU 33 CO 0.34 0.17 -0.75 0.47 -1.33 0.00 0.00 177.39 176.29 2yql n ASP 34 N -2.87 0.15 -3.46 -1.43 8.00 -1.25 -0.34 116.55 115.35 2yql n ASP 34 Ca -0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 2yql n ASP 34 Cb 0.86 1.96 0.02 0.00 -0.02 0.00 0.00 41.12 43.94 2yql n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yql n LEU 36 N 0.14 0.00 -3.36 0.00 4.77 -1.26 -4.34 117.00 112.95 2yql n LEU 36 Ca 0.50 -2.79 -0.14 0.00 -0.03 0.00 0.00 56.01 53.55 2yql n LEU 36 Cb 0.26 0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 2yql n LEU 36 CO 0.53 -0.40 -0.13 -1.81 -1.33 0.00 0.00 177.39 174.25 2yql s ASP 37 N -3.43 1.08 0.97 -1.43 1.11 -1.26 -2.87 116.67 110.84 2yql s ASP 37 Ca 0.02 -0.96 -0.12 0.00 0.18 0.00 0.00 52.55 51.66 2yql s ASP 37 Cb 0.00 0.72 0.17 0.00 1.07 0.00 0.00 42.92 44.88 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 1.18 0.00 0.00 175.17 174.97 2yql s PRO 38 N 2.06 0.67 0.66 8.23 0.04 -1.26 -4.62 135.00 140.77 2yql s PRO 38 Ca 0.12 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 2yql s PRO 38 Cb -0.14 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2yql s PRO 38 CO -0.21 -2.59 1.11 -1.25 0.04 0.00 0.00 177.00 174.10 2yql s PRO 39 N -4.95 2.82 0.52 0.56 0.04 -1.14 -5.03 135.00 127.82 2yql s PRO 39 Ca 0.65 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2yql s PRO 39 Cb -0.18 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 2yql s PRO 39 CO 0.57 -1.24 0.04 -0.51 0.04 0.00 0.00 177.00 175.90 2yql s LEU 40 N -4.83 2.29 0.00 -3.56 1.43 0.53 -4.92 118.68 109.63 2yql s LEU 40 Ca 0.67 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2yql s LEU 40 Cb -0.21 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2yql s LEU 40 CO 0.41 -0.90 0.00 1.17 0.23 0.00 0.00 176.35 177.26 2yql n LYS 41 N -1.33 0.00 -1.04 1.70 4.81 -1.23 -3.96 118.16 117.11 2yql n LYS 41 Ca -0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.21 2yql n LYS 41 Cb 0.67 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.74 2yql n LYS 41 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2yql n THR 42 N -2.38 0.00 -2.21 3.15 -2.24 -1.26 -4.90 114.28 104.45 2yql n THR 42 Ca 0.00 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 2yql n THR 42 Cb 0.00 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 66.98 2yql n THR 42 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2yql s ILE 43 N -0.25 3.81 -1.05 2.28 1.01 -1.26 -4.92 121.20 120.82 2yql s ILE 43 Ca 0.12 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 61.43 2yql s ILE 43 Cb -0.01 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 2yql s ILE 43 CO 0.08 -0.40 1.94 -2.16 0.00 0.00 0.00 174.94 174.40 2yql s PRO 44 N 4.66 2.52 0.98 2.79 0.04 -1.26 -4.95 135.00 139.78 2yql s PRO 44 Ca 0.67 -0.75 -0.14 0.00 0.04 0.00 0.00 61.00 60.82 2yql s PRO 44 Cb -0.21 -5.16 0.04 0.00 0.04 0.00 0.00 34.50 29.21 2yql s PRO 44 CO 0.28 -3.70 0.30 1.63 0.04 0.00 0.00 177.00 175.55 2yql n LYS 45 N 8.55 -0.51 -0.36 4.56 5.02 -1.26 -4.59 118.16 129.57 2yql n LYS 45 Ca 0.43 -0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.65 2yql n LYS 45 Cb 0.47 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yql n GLY 46 N 1.65 -2.78 3.51 0.72 0.00 -1.26 -4.69 105.19 102.34 2yql n GLY 46 Ca 0.05 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2yql n GLY 46 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2yql n MET 47 N -2.60 0.82 -3.60 1.61 1.56 -1.26 -4.91 117.12 108.73 2yql n MET 47 Ca -0.02 0.10 -0.34 0.00 -0.27 0.00 0.00 57.70 57.17 2yql n MET 47 Cb 0.17 -2.65 -0.05 0.00 2.15 0.00 0.00 33.22 32.83 2yql n MET 47 CO 0.00 0.00 0.00 -0.46 -0.73 0.00 0.00 175.97 174.78 2yql s TRP 48 N 9.87 3.56 -0.03 1.12 -0.00 -1.26 -5.09 118.94 127.11 2yql s TRP 48 Ca 1.11 0.75 -0.01 0.00 -0.00 0.00 0.00 56.10 57.95 2yql s TRP 48 Cb -0.66 -2.13 0.03 0.00 -0.00 0.00 0.00 33.47 30.71 2yql s TRP 48 CO 0.39 0.51 0.03 0.42 -0.00 0.00 0.00 176.95 178.30 2yql s ILE 49 N -1.44 -0.04 0.72 5.86 1.01 -1.26 -3.78 121.20 122.28 2yql s ILE 49 Ca 0.34 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 2yql s ILE 49 Cb -0.14 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2yql s ILE 49 CO 0.19 0.12 0.59 0.00 0.00 0.00 0.00 174.94 175.84 2yql n PRO 51 N -0.92 0.10 0.16 0.00 -0.04 -1.26 -2.33 135.00 130.72 2yql n PRO 51 Ca 0.10 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 2yql n PRO 51 Cb 0.50 -1.70 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2yql n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yql h ARG 52 N 0.00 0.00 0.00 0.54 2.47 -1.88 -3.06 114.38 112.45 2yql h ARG 52 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2yql h ARG 52 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2yql h ARG 52 CO 0.00 0.39 -0.46 0.00 0.56 0.00 0.00 179.97 180.46 2yql h GLN 54 N -1.00 0.13 -3.19 0.00 1.08 -1.68 -2.99 115.11 107.46 2yql h GLN 54 Ca -0.09 -0.01 -0.77 0.00 -1.45 0.00 0.00 58.65 56.33 2yql h GLN 54 Cb 0.67 -0.03 -0.30 0.00 -0.05 0.00 0.00 27.48 27.77 2yql h GLN 54 CO -0.05 0.09 0.42 -0.25 -0.95 0.00 0.00 178.83 178.08 2yql n ASP 55 N -4.37 5.53 0.00 1.46 8.00 -1.16 -5.13 116.55 120.88 2yql n ASP 55 Ca 0.17 -3.22 0.01 0.00 0.71 0.00 0.00 54.79 52.46 2yql n ASP 55 Cb 0.82 -1.24 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 2yql n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81