#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 -1.18 -4.27 1.61 3.41 -1.26 -5.16 113.62 106.77 2yql n SER 2 Ca 0.00 0.32 -0.18 0.00 -0.26 0.00 0.00 58.87 58.75 2yql n SER 2 Cb 0.00 1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 65.20 2yql n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yql s SER 3 N -1.39 2.14 0.11 4.04 0.01 -1.26 -5.16 113.70 112.18 2yql s SER 3 Ca 0.00 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 56.39 2yql s SER 3 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2yql s SER 3 CO 0.00 -0.16 -0.02 -0.83 0.41 0.00 0.00 173.24 172.63 2yql s GLY 4 N -2.71 0.82 -1.23 3.44 0.00 -1.26 -5.07 107.32 101.30 2yql s GLY 4 Ca 0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 2yql s GLY 4 CO 0.04 -1.42 1.67 -1.26 0.00 0.00 0.00 173.10 172.12 2yql n SER 5 N -0.05 5.29 -0.02 1.64 2.88 -1.26 -4.75 113.62 117.35 2yql n SER 5 Ca -0.10 -3.10 -0.01 0.00 -1.33 0.00 0.00 58.87 54.33 2yql n SER 5 Cb 0.62 -1.48 -0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2yql n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yql h SER 6 N 6.16 0.00 0.00 -3.46 0.02 -2.06 -3.51 113.55 110.70 2yql h SER 6 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2yql h SER 6 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2yql h SER 6 CO 1.45 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 177.99 2yql n GLY 7 N 1.82 0.07 3.88 -3.77 0.00 -1.26 -5.12 105.19 100.82 2yql n GLY 7 Ca -0.01 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2yql n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yql s HIS 8 N 0.00 3.46 0.28 1.61 0.09 -1.26 -5.03 115.29 114.44 2yql s HIS 8 Ca 0.00 0.90 -0.05 0.00 -0.00 0.00 0.00 55.06 55.91 2yql s HIS 8 Cb 0.00 -2.31 0.07 0.00 -0.00 0.00 0.00 32.58 30.34 2yql s HIS 8 CO 0.00 0.05 0.18 0.39 -0.00 0.00 0.00 174.74 175.37 2yql n GLU 9 N -0.95 -2.28 -0.93 1.40 1.02 -1.26 -5.01 120.64 112.62 2yql n GLU 9 Ca 0.01 -0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 56.83 2yql n GLU 9 Cb 0.54 -0.36 -0.02 0.00 -0.02 0.00 0.00 31.44 31.58 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 -3.52 -0.04 -3.80 1.62 8.00 -1.26 -4.91 116.55 112.65 2yql n ASP 10 Ca 0.03 -1.78 -0.13 0.00 0.71 0.00 0.00 54.79 53.62 2yql n ASP 10 Cb 0.12 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.22 0.27 1.24 0.08 -1.26 -4.82 117.98 113.27 2yql s PHE 11 Ca 0.09 0.54 -0.29 0.00 0.12 0.00 0.00 56.93 57.39 2yql s PHE 11 Cb 0.11 0.08 -0.14 0.00 -0.57 0.00 0.00 43.02 42.50 2yql s PHE 11 CO -0.05 -0.14 1.20 0.00 -0.10 0.00 0.00 175.22 176.14 2yql n SER 13 N 1.45 6.56 0.00 0.00 7.64 -1.20 -2.53 113.62 125.54 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 -0.98 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 -0.36 0.00 -0.01 0.44 0.31 -1.26 -4.95 118.33 112.50 2yql n VAL 14 Ca 0.46 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.80 2yql n VAL 14 Cb 0.74 -0.15 -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 -1.83 -2.55 -3.98 0.00 5.12 -1.05 -5.00 116.66 107.38 2yql n ARG 16 Ca -0.03 2.22 -0.09 0.00 -1.93 0.00 0.00 57.85 58.02 2yql n ARG 16 Cb 0.30 -5.47 -0.10 0.00 -1.16 0.00 0.00 32.46 26.03 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 -2.33 0.54 0.38 5.56 -0.14 -1.26 -4.89 119.74 117.60 2yql s LYS 17 Ca 0.19 -0.84 -0.24 0.00 -1.36 0.00 0.00 55.97 53.71 2yql s LYS 17 Cb -0.05 0.20 -0.09 0.00 -1.68 0.00 0.00 37.83 36.21 2yql s LYS 17 CO 0.75 -0.12 1.02 -1.54 -0.76 0.00 0.00 175.35 174.70 2yql s SER 18 N -2.20 6.91 0.00 2.83 1.04 -1.26 -4.02 113.70 117.00 2yql s SER 18 Ca -0.04 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.37 2yql s SER 18 Cb -0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2yql s SER 18 CO -0.05 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2yql n GLY 19 N 0.35 1.88 3.73 7.32 0.00 -1.26 -5.08 105.19 112.13 2yql n GLY 19 Ca 0.04 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.40 4.13 0.08 1.61 2.00 -1.26 -4.96 119.66 119.85 2yql s GLN 20 Ca 0.00 2.58 0.06 0.00 -2.00 0.00 0.00 55.36 56.00 2yql s GLN 20 Cb 0.00 -3.05 -0.03 0.00 0.80 0.00 0.00 33.01 30.73 2yql s GLN 20 CO 0.00 -0.69 -0.15 -0.51 -0.50 0.00 0.00 175.29 173.44 2yql s LEU 21 N 0.38 2.28 0.48 3.68 1.43 -1.26 -4.85 118.68 120.82 2yql s LEU 21 Ca 0.69 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 2yql s LEU 21 Cb -0.48 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.06 2yql s LEU 21 CO 0.39 -0.05 0.98 -0.22 0.23 0.00 0.00 176.35 177.68 2yql s LEU 22 N -1.78 3.75 -0.06 1.79 2.96 -0.97 -4.90 118.68 119.47 2yql s LEU 22 Ca -0.00 1.64 0.06 0.00 -0.22 0.00 0.00 54.13 55.60 2yql s LEU 22 Cb -0.10 -4.52 -0.01 0.00 0.50 0.00 0.00 46.19 42.06 2yql s LEU 22 CO 0.03 -0.53 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.24 2yql s MET 23 N -3.70 2.57 0.35 1.98 -1.94 -1.26 -2.66 119.30 114.64 2yql s MET 23 Ca 0.61 -0.89 -0.25 0.00 -1.71 0.00 0.00 55.69 53.45 2yql s MET 23 Cb -0.10 -2.15 -0.10 0.00 2.01 0.00 0.00 34.83 34.50 2yql s MET 23 CO 0.24 0.35 0.97 0.00 -0.01 0.00 0.00 175.02 176.57 2yql n ASP 25 N 0.30 7.16 0.08 0.00 -0.08 -1.25 -4.49 116.55 118.27 2yql n ASP 25 Ca 0.03 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 49.81 2yql n ASP 25 Cb 0.50 -1.05 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 -0.26 0.00 -2.12 5.18 -1.04 -1.26 -5.06 114.28 109.73 2yql n THR 26 Ca 0.50 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.50 2yql n THR 26 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 4.06 -3.82 0.00 7.64 -1.26 -4.65 113.62 112.59 2yql n SER 28 Ca 0.00 -3.46 -0.12 0.00 1.01 0.00 0.00 58.87 56.30 2yql n SER 28 Cb 0.01 -0.72 -0.11 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.58 0.36 0.10 1.43 0.52 -1.26 -4.53 118.95 112.99 2yql s ARG 29 Ca 0.40 0.01 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 2yql s ARG 29 Cb 0.15 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 2yql s ARG 29 CO -0.01 -0.07 -0.07 0.14 0.02 0.00 0.00 175.30 175.32 2yql s VAL 30 N -0.52 3.59 -0.13 3.52 -7.23 -1.26 -3.41 120.40 114.96 2yql s VAL 30 Ca -0.06 -1.18 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2yql s VAL 30 Cb -0.04 -2.69 0.04 0.00 0.56 0.00 0.00 36.38 34.26 2yql s VAL 30 CO 0.01 0.11 0.32 -0.31 -0.31 0.00 0.00 175.10 174.92 2yql s TYR 31 N -1.25 -0.41 1.37 2.82 2.02 -1.09 -3.21 117.35 117.59 2yql s TYR 31 Ca 0.23 0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 57.66 2yql s TYR 31 Cb -0.11 0.14 0.34 0.00 -0.40 0.00 0.00 41.96 41.92 2yql s TYR 31 CO 0.15 -0.24 0.76 0.72 -1.57 0.00 0.00 175.55 175.38 2yql n HIS 32 N 3.71 -3.50 0.03 2.71 8.25 -1.26 -2.30 115.22 122.86 2yql n HIS 32 Ca -0.20 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 2yql n HIS 32 Cb 0.56 -1.28 -0.08 0.00 1.12 0.00 0.00 29.99 30.30 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 0.84 -0.01 2.41 4.77 -1.26 -4.14 117.00 119.62 2yql n LEU 33 Ca 0.12 0.37 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 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 0.14 -0.74 0.47 -1.33 0.00 0.00 177.39 176.27 2yql n ASP 34 N -2.87 0.34 -3.43 -1.43 9.92 -1.26 -0.35 116.55 117.47 2yql n ASP 34 Ca -0.10 -0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.76 2yql n ASP 34 Cb 0.83 1.93 0.02 0.00 -0.64 0.00 0.00 41.12 43.25 2yql n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yql n LEU 36 N 0.22 0.00 -3.35 0.00 4.77 -1.26 -4.33 117.00 113.04 2yql n LEU 36 Ca 0.51 -2.78 -0.14 0.00 -0.03 0.00 0.00 56.01 53.57 2yql n LEU 36 Cb 0.27 0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 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 -3.41 1.02 0.97 -1.43 1.01 -1.26 -2.89 116.67 110.68 2yql s ASP 37 Ca 0.02 -0.94 -0.12 0.00 0.71 0.00 0.00 52.55 52.22 2yql s ASP 37 Cb 0.00 0.75 0.17 0.00 1.01 0.00 0.00 42.92 44.85 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 0.21 0.00 0.00 175.17 174.00 2yql s PRO 38 N 2.07 0.66 0.65 8.23 0.04 -1.26 -4.68 135.00 140.71 2yql s PRO 38 Ca 0.12 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 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 -2.60 1.11 -1.25 0.04 0.00 0.00 177.00 174.09 2yql s PRO 39 N -4.95 2.84 0.53 0.56 0.04 -1.14 -5.03 135.00 127.84 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 -1.22 0.08 -0.51 0.04 0.00 0.00 177.00 175.96 2yql s LEU 40 N -4.79 2.32 0.00 -3.56 1.43 0.53 -4.92 118.68 109.69 2yql s LEU 40 Ca 0.67 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 2yql s LEU 40 Cb -0.21 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2yql s LEU 40 CO 0.41 -0.93 0.00 1.17 0.23 0.00 0.00 176.35 177.22 2yql n LYS 41 N -1.38 0.00 -1.03 1.70 4.81 -1.23 -3.99 118.16 117.04 2yql n LYS 41 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.23 2yql n LYS 41 Cb 0.67 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 -2.32 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 66.98 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 -0.23 3.82 -0.98 2.28 -1.09 -1.26 -4.92 121.20 118.82 2yql s ILE 43 Ca 0.12 0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 59.21 2yql s ILE 43 Cb -0.01 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 2yql s ILE 43 CO 0.08 -0.40 1.94 -2.16 -1.23 0.00 0.00 174.94 173.17 2yql s PRO 44 N 4.64 2.54 1.01 2.79 0.04 -1.26 -4.96 135.00 139.81 2yql s PRO 44 Ca 0.67 -0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 2yql s PRO 44 Cb -0.21 -5.12 0.05 0.00 0.04 0.00 0.00 34.50 29.26 2yql s PRO 44 CO 0.28 -3.54 0.24 1.63 0.04 0.00 0.00 177.00 175.65 2yql n LYS 45 N 8.69 -0.70 -0.53 4.56 5.02 -1.26 -4.59 118.16 129.35 2yql n LYS 45 Ca 0.41 -0.17 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 2yql n LYS 45 Cb 0.47 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.73 -2.94 3.51 0.72 0.00 -1.26 -4.67 105.19 102.28 2yql n GLY 46 Ca 0.04 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.76 0.83 -3.52 1.61 1.56 -1.26 -4.92 117.12 108.66 2yql n MET 47 Ca -0.03 0.11 -0.33 0.00 -0.27 0.00 0.00 57.70 57.17 2yql n MET 47 Cb 0.24 -2.65 -0.05 0.00 2.15 0.00 0.00 33.22 32.91 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 9.80 3.51 -0.03 1.12 -0.00 -1.26 -5.10 118.94 126.98 2yql s TRP 48 Ca 1.11 0.79 -0.01 0.00 -0.00 0.00 0.00 56.10 58.00 2yql s TRP 48 Cb -0.66 -2.18 0.03 0.00 -0.00 0.00 0.00 33.47 30.66 2yql s TRP 48 CO 0.39 0.41 0.05 0.42 -0.00 0.00 0.00 176.95 178.22 2yql s ILE 49 N -1.60 -0.07 0.73 5.86 1.01 -1.26 -3.81 121.20 122.06 2yql s ILE 49 Ca 0.40 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 2yql s ILE 49 Cb -0.13 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2yql s ILE 49 CO 0.21 0.10 0.69 0.00 0.00 0.00 0.00 174.94 175.93 2yql n PRO 51 N -1.18 0.07 0.15 0.00 -0.04 -1.26 -2.34 135.00 130.40 2yql n PRO 51 Ca 0.11 0.32 0.04 0.00 -0.04 0.00 0.00 63.50 63.92 2yql n PRO 51 Cb 0.50 -1.63 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.14 114.38 112.35 2yql h ARG 52 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 2yql h ARG 52 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2yql h ARG 52 CO 0.00 0.46 -0.58 0.00 0.56 0.00 0.00 179.97 180.40 2yql h GLN 54 N -1.00 0.07 -1.57 0.00 4.20 -1.68 -3.43 115.11 111.70 2yql h GLN 54 Ca -0.14 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.67 2yql h GLN 54 Cb 0.94 -0.02 -0.23 0.00 0.30 0.00 0.00 27.48 28.47 2yql h GLN 54 CO -0.09 0.05 0.59 0.16 -0.67 0.00 0.00 178.83 178.87 2yql s ASP 55 N -5.76 -0.33 0.00 1.46 -4.77 -1.19 -5.13 116.67 100.95 2yql s ASP 55 Ca -0.06 0.32 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 2yql s ASP 55 Cb 0.21 0.28 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 2yql s ASP 55 CO 0.77 -0.33 0.00 1.67 0.70 0.00 0.00 175.17 177.97