#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 6.51 0.02 1.61 0.15 -1.26 -5.00 113.70 115.73 2yql s SER 2 Ca 0.00 -1.76 -0.30 0.00 0.70 0.00 0.00 55.95 54.58 2yql s SER 2 Cb 0.00 -2.41 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2yql s SER 2 CO 0.00 -1.17 1.47 -0.44 1.20 0.00 0.00 173.24 174.29 2yql s SER 3 N 3.72 6.78 -0.32 5.45 0.01 -1.26 -4.98 113.70 123.11 2yql s SER 3 Ca 0.31 2.22 0.03 0.00 1.31 0.00 0.00 55.95 59.81 2yql s SER 3 Cb -0.08 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.75 2yql s SER 3 CO -0.05 -0.76 0.42 -0.83 0.41 0.00 0.00 173.24 172.43 2yql s GLY 4 N 1.98 -0.51 0.20 3.44 0.00 -1.26 -5.15 107.32 106.02 2yql s GLY 4 Ca 0.66 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 45.34 2yql s GLY 4 CO 0.28 3.03 0.02 -1.35 0.00 0.00 0.00 173.10 175.08 2yql s SER 5 N 2.22 1.33 0.07 1.64 1.04 -1.26 -5.17 113.70 113.57 2yql s SER 5 Ca 0.12 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2yql s SER 5 Cb -0.12 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2yql s SER 5 CO -0.22 -0.58 -0.10 -0.94 0.98 0.00 0.00 173.24 172.38 2yql s SER 6 N -3.22 1.28 0.00 7.02 1.04 -1.26 -5.12 113.70 113.43 2yql s SER 6 Ca 0.27 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2yql s SER 6 Cb 0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2yql s SER 6 CO 0.06 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2yql n GLY 7 N 0.99 0.28 2.31 7.32 0.00 -1.26 -4.92 105.19 109.91 2yql n GLY 7 Ca -0.19 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 2yql n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yql n HIS 8 N 9.00 3.10 -3.05 1.61 -0.00 -1.26 -4.94 115.22 119.68 2yql n HIS 8 Ca 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 57.72 54.94 2yql n HIS 8 Cb 0.00 -1.11 -0.00 0.00 -0.00 0.00 0.00 29.99 28.88 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 -0.82 -0.02 -0.81 -0.41 1.02 -1.26 -4.31 120.64 114.02 2yql n GLU 9 Ca 0.57 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 2yql n GLU 9 Cb 0.70 -0.03 -0.05 0.00 -0.02 0.00 0.00 31.44 32.04 2yql n GLU 9 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2yql n ASP 10 N -3.40 -0.66 -3.80 1.62 -0.08 -1.26 -4.98 116.55 104.00 2yql n ASP 10 Ca 0.00 -1.54 -0.13 0.00 -1.51 0.00 0.00 54.79 51.62 2yql n ASP 10 Cb 0.01 0.20 -0.12 0.00 2.34 0.00 0.00 41.12 43.54 2yql n ASP 10 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2yql s PHE 11 N 0.00 -0.23 0.27 -0.67 0.08 -1.26 -4.80 117.98 111.37 2yql s PHE 11 Ca 0.00 0.56 -0.29 0.00 0.12 0.00 0.00 56.93 57.32 2yql s PHE 11 Cb 0.00 0.08 -0.14 0.00 -0.57 0.00 0.00 43.02 42.39 2yql s PHE 11 CO 0.00 -0.12 1.19 0.00 -0.10 0.00 0.00 175.22 176.19 2yql n SER 13 N 1.44 6.53 0.00 0.00 7.64 -1.17 -2.53 113.62 125.53 2yql n SER 13 Ca 0.10 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.58 2yql n SER 13 Cb 0.32 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2yql n SER 13 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2yql n VAL 14 N -0.38 0.00 -0.01 0.44 0.31 -1.26 -4.95 118.33 112.48 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 0.75 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.86 -2.29 -3.94 0.00 1.74 -1.05 -5.00 116.66 104.26 2yql n ARG 16 Ca -0.03 2.05 -0.10 0.00 -0.77 0.00 0.00 57.85 59.00 2yql n ARG 16 Cb 0.33 -5.17 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 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 -2.27 0.42 0.37 5.56 1.02 -1.26 -4.89 119.74 118.69 2yql s LYS 17 Ca 0.19 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.34 2yql s LYS 17 Cb -0.05 0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 2yql s LYS 17 CO 0.69 -0.09 1.03 -1.54 -0.92 0.00 0.00 175.35 174.51 2yql s SER 18 N -1.59 6.97 0.00 2.83 1.04 -1.26 -3.99 113.70 117.70 2yql s SER 18 Ca -0.13 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.31 2yql s SER 18 Cb -0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2yql s SER 18 CO -0.01 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2yql n GLY 19 N 0.48 0.83 3.73 7.32 0.00 -1.26 -5.09 105.19 111.21 2yql n GLY 19 Ca 0.03 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2yql n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yql s GLN 20 N -2.00 4.39 0.08 1.61 0.74 -1.26 -4.98 119.66 118.23 2yql s GLN 20 Ca 0.00 1.99 0.06 0.00 0.05 0.00 0.00 55.36 57.46 2yql s GLN 20 Cb 0.00 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 2yql s GLN 20 CO 0.00 -0.29 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.78 2yql s LEU 21 N 0.48 2.29 0.48 3.68 1.43 -1.26 -4.83 118.68 120.95 2yql s LEU 21 Ca 0.59 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2yql s LEU 21 Cb -0.35 -0.58 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 2yql s LEU 21 CO 0.34 -0.06 0.94 -0.22 0.23 0.00 0.00 176.35 177.58 2yql s LEU 22 N -1.82 3.71 0.04 1.79 2.96 -0.79 -4.90 118.68 119.68 2yql s LEU 22 Ca 0.00 1.52 0.07 0.00 -0.22 0.00 0.00 54.13 55.50 2yql s LEU 22 Cb -0.10 -4.43 -0.03 0.00 0.50 0.00 0.00 46.19 42.13 2yql s LEU 22 CO 0.03 -0.51 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.31 2yql s MET 23 N -3.87 2.02 0.08 1.98 -1.94 -1.26 -2.72 119.30 113.58 2yql s MET 23 Ca 0.58 -1.01 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 2yql s MET 23 Cb -0.10 -2.15 -0.06 0.00 2.01 0.00 0.00 34.83 34.53 2yql s MET 23 CO 0.28 0.53 0.41 0.00 -0.01 0.00 0.00 175.02 176.23 2yql n ASP 25 N 0.90 7.19 0.09 0.00 -0.08 -1.25 -4.49 116.55 118.90 2yql n ASP 25 Ca -0.08 -3.54 0.00 0.00 -1.51 0.00 0.00 54.79 49.67 2yql n ASP 25 Cb 0.52 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.92 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 -0.25 0.00 -2.23 5.18 -1.04 -1.26 -5.05 114.28 109.63 2yql n THR 26 Ca 0.51 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.52 2yql n THR 26 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 4.67 -4.09 0.00 3.41 -1.26 -4.65 113.62 108.70 2yql n SER 28 Ca 0.00 -3.70 -0.19 0.00 -0.26 0.00 0.00 58.87 54.73 2yql n SER 28 Cb 0.01 -0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 63.25 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 -3.53 0.83 -0.01 4.33 0.52 -1.26 -4.54 118.95 115.29 2yql s ARG 29 Ca 0.48 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2yql s ARG 29 Cb 0.30 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 2yql s ARG 29 CO -0.15 0.20 -0.03 0.14 0.02 0.00 0.00 175.30 175.49 2yql s VAL 30 N -0.66 3.95 -0.08 3.52 -7.23 -1.26 -3.76 120.40 114.89 2yql s VAL 30 Ca 0.01 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 59.50 2yql s VAL 30 Cb -0.06 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 34.18 2yql s VAL 30 CO 0.00 0.41 0.18 -0.31 -0.31 0.00 0.00 175.10 175.08 2yql s TYR 31 N -1.02 -0.22 1.37 2.82 2.02 -1.10 -3.04 117.35 118.17 2yql s TYR 31 Ca 0.18 0.57 -0.22 0.00 -0.37 0.00 0.00 57.07 57.23 2yql s TYR 31 Cb -0.11 0.00 0.34 0.00 -0.40 0.00 0.00 41.96 41.79 2yql s TYR 31 CO 0.08 -0.16 0.77 0.72 -1.57 0.00 0.00 175.55 175.39 2yql n HIS 32 N 3.82 -3.50 0.03 2.71 8.25 -1.26 -1.88 115.22 123.39 2yql n HIS 32 Ca -0.22 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.61 2yql n HIS 32 Cb 0.54 -1.35 -0.08 0.00 1.12 0.00 0.00 29.99 30.22 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 -4.76 0.83 -0.02 2.41 4.77 -1.26 -4.16 117.00 114.80 2yql n LEU 33 Ca 0.12 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2yql n LEU 33 Cb 0.53 0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2yql n LEU 33 CO 0.35 0.14 -0.81 -0.90 -1.33 0.00 0.00 177.39 174.84 2yql n ASP 34 N -2.87 0.32 -3.33 -1.43 5.68 -1.25 -0.32 116.55 113.35 2yql n ASP 34 Ca -0.10 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.81 2yql n ASP 34 Cb 0.83 1.77 0.01 0.00 -1.14 0.00 0.00 41.12 42.59 2yql n ASP 34 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yql n LEU 36 N 0.51 0.00 -3.35 0.00 4.77 -1.26 -4.35 117.00 113.31 2yql n LEU 36 Ca 0.53 -2.82 -0.14 0.00 -0.03 0.00 0.00 56.01 53.55 2yql n LEU 36 Cb 0.29 0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2yql n LEU 36 CO 0.54 -0.40 -0.13 -1.81 -1.33 0.00 0.00 177.39 174.26 2yql s ASP 37 N -3.47 1.01 0.97 -1.43 1.11 -1.26 -2.91 116.67 110.70 2yql s ASP 37 Ca 0.01 -0.93 -0.12 0.00 0.18 0.00 0.00 52.55 51.69 2yql s ASP 37 Cb 0.00 0.76 0.17 0.00 1.07 0.00 0.00 42.92 44.92 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 1.18 0.00 0.00 175.17 174.96 2yql s PRO 38 N 2.08 0.64 0.81 8.23 0.04 -1.26 -4.65 135.00 140.90 2yql s PRO 38 Ca 0.12 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 2yql s PRO 38 Cb -0.13 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2yql s PRO 38 CO -0.21 -2.61 1.09 -1.25 0.04 0.00 0.00 177.00 174.06 2yql s PRO 39 N -4.96 1.97 0.43 0.56 0.04 -1.14 -5.03 135.00 126.88 2yql s PRO 39 Ca 0.65 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2yql s PRO 39 Cb -0.18 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2yql s PRO 39 CO 0.57 -1.81 0.11 -0.51 0.04 0.00 0.00 177.00 175.40 2yql s LEU 40 N -6.01 2.04 0.00 -3.56 1.43 0.56 -4.92 118.68 108.23 2yql s LEU 40 Ca 0.62 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 2yql s LEU 40 Cb -0.17 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.84 2yql s LEU 40 CO 0.56 -0.93 0.00 1.17 0.23 0.00 0.00 176.35 177.38 2yql n LYS 41 N -0.98 0.00 -1.03 1.70 4.81 -1.23 -3.89 118.16 117.54 2yql n LYS 41 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.32 2yql n LYS 41 Cb 0.65 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.72 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 -2.34 0.00 -2.21 3.15 -2.24 -1.26 -4.90 114.28 104.49 2yql n THR 42 Ca 0.00 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2yql n THR 42 Cb 0.00 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 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 -0.24 3.82 -0.86 2.28 1.01 -1.26 -4.93 121.20 121.02 2yql s ILE 43 Ca 0.12 0.90 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 2yql s ILE 43 Cb -0.01 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2yql s ILE 43 CO 0.08 -0.40 1.93 -2.16 0.00 0.00 0.00 174.94 174.39 2yql s PRO 44 N 4.65 2.57 0.88 2.79 0.04 -1.26 -4.96 135.00 139.71 2yql s PRO 44 Ca 0.67 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 2yql s PRO 44 Cb -0.21 -4.96 0.01 0.00 0.04 0.00 0.00 34.50 29.38 2yql s PRO 44 CO 0.28 -3.28 0.46 0.36 0.04 0.00 0.00 177.00 174.86 2yql n LYS 45 N 8.91 -0.10 -0.20 4.56 2.85 -1.26 -4.60 118.16 128.31 2yql n LYS 45 Ca 0.37 0.02 0.02 0.00 -1.05 0.00 0.00 58.31 57.67 2yql n LYS 45 Cb 0.48 -1.86 -0.01 0.00 -0.65 0.00 0.00 35.03 32.98 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2yql n GLY 46 N 1.53 -2.71 3.50 2.58 0.00 -1.26 -4.71 105.19 104.11 2yql n GLY 46 Ca 0.08 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.34 0.84 -3.42 1.61 0.00 -1.26 -4.91 117.12 107.64 2yql n MET 47 Ca -0.01 0.12 -0.34 0.00 -0.00 0.00 0.00 57.70 57.46 2yql n MET 47 Cb 0.10 -2.63 -0.06 0.00 0.00 0.00 0.00 33.22 30.63 2yql n MET 47 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 2yql s TRP 48 N 9.62 3.56 -0.03 1.12 -0.00 -1.26 -5.09 118.94 126.86 2yql s TRP 48 Ca 1.11 0.96 -0.01 0.00 -0.00 0.00 0.00 56.10 58.17 2yql s TRP 48 Cb -0.68 -2.30 0.03 0.00 -0.00 0.00 0.00 33.47 30.52 2yql s TRP 48 CO 0.40 0.42 0.04 0.42 -0.00 0.00 0.00 176.95 178.22 2yql s ILE 49 N -1.52 -0.05 0.72 5.86 1.01 -1.26 -3.74 121.20 122.22 2yql s ILE 49 Ca 0.39 0.28 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 2yql s ILE 49 Cb -0.14 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2yql s ILE 49 CO 0.19 0.13 0.60 0.00 0.00 0.00 0.00 174.94 175.87 2yql n PRO 51 N -0.94 0.10 0.16 0.00 -0.04 -1.26 -2.34 135.00 130.68 2yql n PRO 51 Ca 0.10 0.35 0.04 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 -0.00 -1.93 -3.08 114.38 109.91 2yql h ARG 52 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.41 2yql h ARG 52 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 2yql h ARG 52 CO 0.00 0.42 -0.53 0.00 0.00 0.00 0.00 179.97 179.87 2yql h GLN 54 N -1.00 0.12 -7.16 0.00 1.08 -1.68 -3.41 115.11 103.06 2yql h GLN 54 Ca -0.11 -0.01 -0.52 0.00 -1.45 0.00 0.00 58.65 56.56 2yql h GLN 54 Cb 0.79 -0.03 0.12 0.00 -0.05 0.00 0.00 27.48 28.32 2yql h GLN 54 CO -0.07 0.08 0.40 0.34 -0.95 0.00 0.00 178.83 178.63 2yql s ASP 55 N -5.73 4.80 0.00 1.46 -1.08 -1.16 -5.13 116.67 109.83 2yql s ASP 55 Ca -0.06 2.22 0.00 0.00 -0.52 0.00 0.00 52.55 54.19 2yql s ASP 55 Cb 0.22 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2yql s ASP 55 CO 0.77 -1.85 0.43 0.00 0.52 0.00 0.00 175.17 175.04