#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yql s SER 2 N 0.00 -1.10 -0.36 1.61 0.01 -1.26 -5.12 113.70 107.48 2yql s SER 2 Ca 0.00 0.43 -0.29 0.00 1.31 0.00 0.00 55.95 57.41 2yql s SER 2 Cb 0.00 1.82 -0.01 0.00 0.21 0.00 0.00 66.02 68.04 2yql s SER 2 CO 0.00 -0.20 1.67 -0.94 0.41 0.00 0.00 173.24 174.17 2yql s SER 3 N 2.89 6.05 0.00 2.44 1.04 -1.26 -4.50 113.70 120.35 2yql s SER 3 Ca 0.14 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2yql s SER 3 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2yql s SER 3 CO -0.20 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.01 2yql n GLY 4 N 5.31 -2.10 3.72 7.32 0.00 -1.26 -5.12 105.19 113.06 2yql n GLY 4 Ca 0.21 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 2yql n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yql s SER 5 N 1.33 6.40 -0.03 1.61 1.04 -1.26 -4.95 113.70 117.85 2yql s SER 5 Ca 0.00 2.85 -0.29 0.00 0.48 0.00 0.00 55.95 58.99 2yql s SER 5 Cb 0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 2yql s SER 5 CO 0.00 -0.95 0.94 -0.44 0.98 0.00 0.00 173.24 173.77 2yql s SER 6 N 1.12 7.29 -0.01 7.02 0.01 -1.26 -5.04 113.70 122.83 2yql s SER 6 Ca 0.73 1.57 -0.04 0.00 1.31 0.00 0.00 55.95 59.52 2yql s SER 6 Cb -0.49 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.20 2yql s SER 6 CO 0.33 -0.27 0.08 -0.83 0.41 0.00 0.00 173.24 172.97 2yql s GLY 7 N 0.99 0.03 -0.24 3.44 0.00 -1.26 -5.04 107.32 105.24 2yql s GLY 7 Ca 0.49 -0.02 0.12 0.00 0.00 0.00 0.00 44.72 45.31 2yql s GLY 7 CO 0.25 -0.09 1.43 1.42 0.00 0.00 0.00 173.10 176.10 2yql n HIS 8 N 2.29 0.95 -2.76 1.90 -0.00 -1.26 -4.85 115.22 111.48 2yql n HIS 8 Ca -0.18 -1.33 0.12 0.00 -0.00 0.00 0.00 57.72 56.33 2yql n HIS 8 Cb 0.57 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 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 -1.84 -1.28 -0.41 1.02 -1.26 -4.02 120.64 111.89 2yql n GLU 9 Ca 0.28 1.21 -0.05 0.00 -0.02 0.00 0.00 57.16 58.59 2yql n GLU 9 Cb 0.96 -2.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 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 -3.78 -0.73 -3.79 1.62 9.92 -1.26 -4.93 116.55 113.61 2yql n ASP 10 Ca 0.01 -2.02 -0.13 0.00 -0.53 0.00 0.00 54.79 52.12 2yql n ASP 10 Cb 0.42 0.24 -0.12 0.00 -0.64 0.00 0.00 41.12 41.02 2yql n ASP 10 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2yql s PHE 11 N -0.06 -0.25 0.28 1.24 0.08 -1.26 -4.89 117.98 113.11 2yql s PHE 11 Ca 0.06 0.61 -0.29 0.00 0.12 0.00 0.00 56.93 57.43 2yql s PHE 11 Cb 0.11 0.09 -0.14 0.00 -0.57 0.00 0.00 43.02 42.51 2yql s PHE 11 CO -0.04 -0.13 1.18 0.00 -0.10 0.00 0.00 175.22 176.13 2yql n SER 13 N 1.40 6.60 0.00 0.00 2.88 -1.19 -2.54 113.62 120.77 2yql n SER 13 Ca 0.09 -3.40 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2yql n SER 13 Cb 0.32 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 -0.35 0.00 -0.01 2.46 0.31 -1.26 -4.95 118.33 114.52 2yql n VAL 14 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2yql n VAL 14 Cb 0.72 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 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 -1.87 -1.88 -3.97 0.00 1.74 -1.05 -5.00 116.66 104.63 2yql n ARG 16 Ca -0.03 1.79 -0.09 0.00 -0.77 0.00 0.00 57.85 58.75 2yql n ARG 16 Cb 0.34 -5.00 -0.10 0.00 -1.02 0.00 0.00 32.46 26.69 2yql n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yql s LYS 17 N -2.43 0.50 1.15 5.56 1.02 -1.26 -4.88 119.74 119.41 2yql s LYS 17 Ca 0.18 -0.77 -0.19 0.00 0.02 0.00 0.00 55.97 55.21 2yql s LYS 17 Cb -0.05 0.19 0.27 0.00 -0.52 0.00 0.00 37.83 37.72 2yql s LYS 17 CO 0.64 -0.11 1.19 -1.54 -0.92 0.00 0.00 175.35 174.61 2yql s SER 18 N -2.02 1.39 0.00 2.83 1.04 -1.26 -3.93 113.70 111.76 2yql s SER 18 Ca -0.07 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2yql s SER 18 Cb -0.03 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2yql s SER 18 CO -0.04 -3.81 0.00 0.61 0.98 0.00 0.00 173.24 170.98 2yql n GLY 19 N -1.92 -0.03 3.74 7.32 0.00 -1.26 -4.99 105.19 108.05 2yql n GLY 19 Ca 0.15 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 4.32 0.06 1.61 1.11 -1.26 -5.07 119.66 120.43 2yql s GLN 20 Ca 0.00 0.58 0.05 0.00 0.01 0.00 0.00 55.36 56.01 2yql s GLN 20 Cb 0.00 -3.40 -0.03 0.00 -1.01 0.00 0.00 33.01 28.58 2yql s GLN 20 CO 0.00 0.24 -0.15 -0.51 0.01 0.00 0.00 175.29 174.88 2yql s LEU 21 N 0.30 2.23 0.43 2.90 1.43 -1.26 -4.78 118.68 119.92 2yql s LEU 21 Ca 0.29 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2yql s LEU 21 Cb -0.16 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 2yql s LEU 21 CO 0.13 -0.01 0.83 -0.22 0.23 0.00 0.00 176.35 177.32 2yql s LEU 22 N -1.48 3.80 0.07 1.79 2.96 -0.87 -4.90 118.68 120.05 2yql s LEU 22 Ca 0.01 1.28 0.09 0.00 -0.22 0.00 0.00 54.13 55.29 2yql s LEU 22 Cb -0.09 -4.17 -0.03 0.00 0.50 0.00 0.00 46.19 42.39 2yql s LEU 22 CO 0.02 -0.43 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.34 2yql s MET 23 N -3.80 1.75 0.17 1.98 -1.94 -1.26 -2.46 119.30 113.74 2yql s MET 23 Ca 0.54 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 53.21 2yql s MET 23 Cb -0.10 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.65 2yql s MET 23 CO 0.29 0.50 0.59 0.00 -0.01 0.00 0.00 175.02 176.39 2yql n ASP 25 N 0.68 7.15 0.05 0.00 -0.08 -1.24 -4.51 116.55 118.59 2yql n ASP 25 Ca -0.04 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 49.74 2yql n ASP 25 Cb 0.52 -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 0.35 0.12 0.00 0.00 177.20 177.67 2yql n THR 26 N -0.25 0.00 -1.86 5.18 -2.24 -1.26 -5.05 114.28 108.80 2yql n THR 26 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2yql n THR 26 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2yql n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yql n SER 28 N -2.96 3.62 -3.77 0.00 3.41 -1.26 -4.65 113.62 108.01 2yql n SER 28 Ca 0.00 -3.35 -0.13 0.00 -0.26 0.00 0.00 58.87 55.13 2yql n SER 28 Cb 0.00 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.13 2yql n SER 28 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2yql s ARG 29 N -2.09 0.70 0.09 4.33 0.52 -1.26 -4.68 118.95 116.56 2yql s ARG 29 Ca 0.34 -0.30 0.10 0.00 -0.52 0.00 0.00 55.73 55.35 2yql s ARG 29 Cb 0.07 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 2yql s ARG 29 CO -0.07 -0.20 -0.26 0.14 0.02 0.00 0.00 175.30 174.93 2yql s VAL 30 N -1.70 2.28 -0.10 3.52 -7.23 -1.26 -3.33 120.40 112.58 2yql s VAL 30 Ca -0.11 -1.58 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2yql s VAL 30 Cb -0.04 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.97 2yql s VAL 30 CO 0.02 0.21 0.24 -0.31 -0.31 0.00 0.00 175.10 174.95 2yql s TYR 31 N -0.96 -0.30 1.37 2.82 2.02 -1.03 -3.15 117.35 118.12 2yql s TYR 31 Ca 0.13 0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 57.33 2yql s TYR 31 Cb -0.10 0.07 0.34 0.00 -0.40 0.00 0.00 41.96 41.87 2yql s TYR 31 CO 0.05 -0.18 0.76 0.72 -1.57 0.00 0.00 175.55 175.33 2yql n HIS 32 N 3.58 -3.50 0.03 2.71 8.25 -1.26 -2.06 115.22 122.97 2yql n HIS 32 Ca -0.19 -0.63 0.01 0.00 -0.26 0.00 0.00 57.72 56.65 2yql n HIS 32 Cb 0.56 -1.28 -0.08 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 0.82 -0.01 2.41 4.77 -1.26 -4.15 117.00 119.58 2yql n LEU 33 Ca 0.12 0.36 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 2yql n LEU 33 Cb 0.53 0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 2yql n LEU 33 CO 0.35 0.12 -0.75 0.47 -1.33 0.00 0.00 177.39 176.25 2yql n ASP 34 N -2.85 0.40 -3.42 -1.43 8.00 -1.26 -0.36 116.55 115.64 2yql n ASP 34 Ca -0.09 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 2yql n ASP 34 Cb 0.81 1.89 0.01 0.00 -0.02 0.00 0.00 41.12 43.82 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 0.25 0.00 -3.35 0.00 4.77 -1.26 -4.34 117.00 113.07 2yql n LEU 36 Ca 0.51 -2.79 -0.14 0.00 -0.03 0.00 0.00 56.01 53.57 2yql n LEU 36 Cb 0.27 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2yql n LEU 36 CO 0.54 -0.40 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.45 2yql s ASP 37 N -3.42 0.99 0.97 -1.43 -1.08 -1.26 -2.90 116.67 108.53 2yql s ASP 37 Ca 0.02 -0.92 -0.12 0.00 -0.52 0.00 0.00 52.55 51.00 2yql s ASP 37 Cb 0.00 0.76 0.17 0.00 -1.46 0.00 0.00 42.92 42.39 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 0.52 0.00 0.00 175.17 174.31 2yql s PRO 38 N 2.08 0.67 0.64 4.34 0.04 -1.26 -4.70 135.00 136.82 2yql s PRO 38 Ca 0.12 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 2yql s PRO 38 Cb -0.13 -1.76 -0.01 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 2.87 0.53 0.56 0.04 -1.14 -5.03 135.00 127.87 2yql s PRO 39 Ca 0.65 1.42 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2yql s PRO 39 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2yql s PRO 39 CO 0.57 -1.20 0.10 -0.51 0.04 0.00 0.00 177.00 176.00 2yql s LEU 40 N -4.74 2.34 0.00 -3.56 1.43 0.51 -4.92 118.68 109.74 2yql s LEU 40 Ca 0.68 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2yql s LEU 40 Cb -0.21 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2yql s LEU 40 CO 0.40 -0.94 0.00 1.17 0.23 0.00 0.00 176.35 177.20 2yql n LYS 41 N -1.41 0.00 -1.05 1.70 4.81 -1.23 -4.01 118.16 116.98 2yql n LYS 41 Ca -0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.24 2yql n LYS 41 Cb 0.66 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.73 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 -2.33 0.00 -2.21 3.15 -2.24 -1.26 -4.91 114.28 104.48 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 -0.26 3.82 -1.02 2.28 1.01 -1.26 -4.92 121.20 120.84 2yql s ILE 43 Ca 0.12 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.44 2yql s ILE 43 Cb -0.01 -3.87 -0.06 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 4.65 2.54 0.90 2.79 0.04 -1.26 -4.95 135.00 139.70 2yql s PRO 44 Ca 0.67 -0.67 -0.14 0.00 0.04 0.00 0.00 61.00 60.90 2yql s PRO 44 Cb -0.21 -5.14 0.01 0.00 0.04 0.00 0.00 34.50 29.20 2yql s PRO 44 CO 0.28 -3.63 0.41 1.63 0.04 0.00 0.00 177.00 175.73 2yql n LYS 45 N 8.61 -0.14 -0.14 4.56 4.01 -1.26 -4.60 118.16 129.20 2yql n LYS 45 Ca 0.42 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 58.24 2yql n LYS 45 Cb 0.47 -1.84 -0.01 0.00 -0.51 0.00 0.00 35.03 33.14 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2yql n GLY 46 N 1.57 -2.70 3.51 0.72 0.00 -1.26 -4.72 105.19 102.32 2yql n GLY 46 Ca 0.07 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.22 0.80 -3.60 1.61 1.56 -1.26 -4.91 117.12 109.10 2yql n MET 47 Ca -0.01 0.10 -0.34 0.00 -0.27 0.00 0.00 57.70 57.18 2yql n MET 47 Cb 0.07 -2.64 -0.05 0.00 2.15 0.00 0.00 33.22 32.74 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 9.86 3.55 -0.02 1.12 -0.00 -1.26 -5.10 118.94 127.09 2yql s TRP 48 Ca 1.12 0.73 -0.00 0.00 -0.00 0.00 0.00 56.10 57.94 2yql s TRP 48 Cb -0.67 -2.12 0.03 0.00 -0.00 0.00 0.00 33.47 30.71 2yql s TRP 48 CO 0.39 0.50 0.03 0.42 -0.00 0.00 0.00 176.95 178.29 2yql s ILE 49 N -1.46 -0.06 0.72 5.86 1.01 -1.26 -3.72 121.20 122.30 2yql s ILE 49 Ca 0.35 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 2yql s ILE 49 Cb -0.13 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 2yql s ILE 49 CO 0.19 0.09 0.59 0.00 0.00 0.00 0.00 174.94 175.81 2yql n PRO 51 N -0.92 0.10 0.16 0.00 -0.04 -1.26 -2.35 135.00 130.70 2yql n PRO 51 Ca 0.10 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 63.95 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 -1.89 -3.12 114.38 112.38 2yql h ARG 52 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2yql h ARG 52 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2yql h ARG 52 CO 0.00 0.43 -0.63 0.00 0.56 0.00 0.00 179.97 180.33 2yql h GLN 54 N -1.00 0.03 -2.17 0.00 4.20 -1.67 -3.33 115.11 111.16 2yql h GLN 54 Ca -0.15 -0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.22 2yql h GLN 54 Cb 0.93 -0.01 -0.33 0.00 0.30 0.00 0.00 27.48 28.37 2yql h GLN 54 CO -0.09 0.02 -0.64 -0.51 -0.67 0.00 0.00 178.83 176.94 2yql s ASP 55 N -5.76 1.76 0.00 1.46 1.01 -1.18 -5.13 116.67 108.83 2yql s ASP 55 Ca -0.05 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.41 2yql s ASP 55 Cb 0.21 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.61 2yql s ASP 55 CO 0.76 -0.39 0.45 1.67 0.21 0.00 0.00 175.17 177.88