#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 -0.50 0.19 1.61 0.15 -1.26 -5.18 113.70 108.72 2yql s SER 2 Ca 0.00 0.85 0.08 0.00 0.70 0.00 0.00 55.95 57.58 2yql s SER 2 Cb 0.00 1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 2yql s SER 2 CO 0.00 -0.14 0.01 -0.44 1.20 0.00 0.00 173.24 173.88 2yql s SER 3 N 0.92 4.80 -1.04 5.45 0.01 -1.26 -5.06 113.70 117.51 2yql s SER 3 Ca -0.04 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 2yql s SER 3 Cb -0.04 -1.02 0.30 0.00 0.21 0.00 0.00 66.02 65.47 2yql s SER 3 CO -0.12 0.07 1.39 0.61 0.41 0.00 0.00 173.24 175.60 2yql n GLY 4 N -0.32 5.09 0.23 3.44 0.00 -1.26 -4.80 105.19 107.57 2yql n GLY 4 Ca -0.09 -2.67 0.04 0.00 0.00 0.00 0.00 46.02 43.29 2yql n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yql h SER 5 N 5.39 0.12 -4.13 1.61 4.64 -2.07 -3.42 113.55 115.69 2yql h SER 5 Ca 0.20 -0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.81 2yql h SER 5 Cb 0.63 -0.03 -0.31 0.00 -0.31 0.00 0.00 62.40 62.38 2yql h SER 5 CO 1.27 0.30 -0.88 -0.55 -0.87 0.00 0.00 176.83 176.10 2yql s SER 6 N -6.93 2.99 -0.19 4.97 0.15 -1.26 -5.03 113.70 108.40 2yql s SER 6 Ca -0.05 -0.49 0.20 0.00 0.70 0.00 0.00 55.95 56.31 2yql s SER 6 Cb 0.15 -0.71 0.47 0.00 -1.71 0.00 0.00 66.02 64.22 2yql s SER 6 CO 0.72 0.25 1.15 0.61 1.20 0.00 0.00 173.24 177.17 2yql n GLY 7 N 2.85 2.79 3.83 9.45 0.00 -1.26 -5.09 105.19 117.76 2yql n GLY 7 Ca -0.17 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.67 3.60 1.01 1.61 0.09 -1.26 -4.97 115.29 112.70 2yql s HIS 8 Ca 0.34 1.28 -0.16 0.00 -0.00 0.00 0.00 55.06 56.52 2yql s HIS 8 Cb 0.36 -2.54 0.26 0.00 -0.00 0.00 0.00 32.58 30.65 2yql s HIS 8 CO -0.06 0.32 0.58 0.39 -0.00 0.00 0.00 174.74 175.97 2yql n GLU 9 N 0.58 -3.71 -1.05 1.40 1.02 -1.26 -5.00 120.64 112.62 2yql n GLU 9 Ca -0.02 -0.98 0.02 0.00 -0.02 0.00 0.00 57.16 56.16 2yql n GLU 9 Cb 0.52 -1.32 0.01 0.00 -0.02 0.00 0.00 31.44 30.62 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 -4.58 0.44 -3.80 1.62 8.00 -1.26 -4.82 116.55 112.14 2yql n ASP 10 Ca 0.09 -1.95 -0.13 0.00 0.71 0.00 0.00 54.79 53.52 2yql n ASP 10 Cb 0.40 -0.20 -0.12 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 -0.23 0.26 1.24 0.08 -1.26 -4.89 117.98 113.18 2yql s PHE 11 Ca 0.17 0.54 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 2yql s PHE 11 Cb 0.20 0.08 -0.14 0.00 -0.57 0.00 0.00 43.02 42.59 2yql s PHE 11 CO -0.09 -0.14 1.20 0.00 -0.10 0.00 0.00 175.22 176.10 2yql n SER 13 N 1.60 6.58 0.00 0.00 7.64 -1.19 -2.52 113.62 125.73 2yql n SER 13 Ca 0.11 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.59 2yql n SER 13 Cb 0.31 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 0.73 -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 -1.85 -2.23 -4.05 0.00 1.74 -1.05 -5.00 116.66 104.22 2yql n ARG 16 Ca -0.03 2.00 -0.08 0.00 -0.77 0.00 0.00 57.85 58.97 2yql n ARG 16 Cb 0.32 -4.94 -0.09 0.00 -1.02 0.00 0.00 32.46 26.73 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 -2.12 0.82 0.86 5.56 1.02 -1.26 -4.88 119.74 119.74 2yql s LYS 17 Ca 0.16 -1.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 2yql s LYS 17 Cb -0.04 0.26 0.15 0.00 -0.52 0.00 0.00 37.83 37.68 2yql s LYS 17 CO 0.65 -0.22 1.21 -1.54 -0.92 0.00 0.00 175.35 174.52 2yql s SER 18 N -2.96 3.78 0.00 2.83 1.04 -1.26 -3.84 113.70 113.28 2yql s SER 18 Ca 0.13 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2yql s SER 18 Cb 0.07 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2yql s SER 18 CO -0.05 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.48 2yql n GLY 19 N -3.43 -0.40 3.74 7.32 0.00 -1.26 -5.00 105.19 106.15 2yql n GLY 19 Ca 0.13 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 4.52 0.08 1.61 1.11 -1.26 -5.03 119.66 120.68 2yql s GLN 20 Ca 0.00 1.11 0.06 0.00 0.01 0.00 0.00 55.36 56.54 2yql s GLN 20 Cb 0.00 -3.38 -0.03 0.00 -1.01 0.00 0.00 33.01 28.59 2yql s GLN 20 CO 0.00 0.24 -0.15 -0.51 0.01 0.00 0.00 175.29 174.87 2yql s LEU 21 N 0.09 2.29 0.47 2.90 1.43 -1.26 -4.84 118.68 119.75 2yql s LEU 21 Ca 0.40 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2yql s LEU 21 Cb -0.21 -0.58 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 2yql s LEU 21 CO 0.24 -0.06 0.91 -0.22 0.23 0.00 0.00 176.35 177.45 2yql s LEU 22 N -1.81 3.73 -0.04 1.79 2.96 -1.00 -4.91 118.68 119.40 2yql s LEU 22 Ca 0.00 1.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.40 2yql s LEU 22 Cb -0.10 -4.34 -0.01 0.00 0.50 0.00 0.00 46.19 42.24 2yql s LEU 22 CO 0.03 -0.50 -0.23 -0.04 -1.32 0.00 0.00 176.35 174.29 2yql s MET 23 N -3.89 2.23 0.36 1.98 -1.94 -1.26 -2.65 119.30 114.13 2yql s MET 23 Ca 0.57 -0.83 -0.25 0.00 -1.71 0.00 0.00 55.69 53.47 2yql s MET 23 Cb -0.10 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.68 2yql s MET 23 CO 0.29 0.39 0.98 0.00 -0.01 0.00 0.00 175.02 176.67 2yql n ASP 25 N 0.19 6.85 0.08 0.00 -0.08 -1.25 -4.49 116.55 117.86 2yql n ASP 25 Ca 0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 2yql n ASP 25 Cb 0.51 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.96 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 -0.29 0.00 -2.00 5.18 -1.04 -1.26 -5.06 114.28 109.81 2yql n THR 26 Ca 0.46 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.46 2yql n THR 26 Cb 0.66 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 4.22 -3.82 0.00 7.64 -1.26 -4.62 113.62 112.78 2yql n SER 28 Ca 0.00 -3.56 -0.13 0.00 1.01 0.00 0.00 58.87 56.19 2yql n SER 28 Cb 0.01 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.98 0.03 0.07 1.43 0.52 -1.26 -4.33 118.95 112.42 2yql s ARG 29 Ca 0.44 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.80 2yql s ARG 29 Cb 0.21 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 2yql s ARG 29 CO -0.07 -0.07 0.14 0.14 0.02 0.00 0.00 175.30 175.45 2yql s VAL 30 N 0.48 4.93 -0.13 3.52 -7.23 -1.26 -3.58 120.40 117.13 2yql s VAL 30 Ca -0.04 -0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 59.47 2yql s VAL 30 Cb -0.05 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.54 2yql s VAL 30 CO -0.02 0.15 0.33 -0.31 -0.31 0.00 0.00 175.10 174.94 2yql s TYR 31 N -1.43 -0.42 1.37 2.82 2.02 -1.08 -3.20 117.35 117.42 2yql s TYR 31 Ca 0.31 0.98 -0.22 0.00 -0.37 0.00 0.00 57.07 57.77 2yql s TYR 31 Cb -0.13 0.15 0.34 0.00 -0.40 0.00 0.00 41.96 41.92 2yql s TYR 31 CO 0.24 -0.24 0.76 0.72 -1.57 0.00 0.00 175.55 175.47 2yql n HIS 32 N 3.65 -3.50 0.03 2.71 8.25 -1.26 -2.36 115.22 122.73 2yql n HIS 32 Ca -0.19 -0.63 0.01 0.00 -0.26 0.00 0.00 57.72 56.64 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 0.81 -0.01 2.41 4.77 -1.26 -4.15 117.00 119.56 2yql n LEU 33 Ca 0.12 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 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 0.13 -0.75 0.47 -1.33 0.00 0.00 177.39 176.26 2yql n ASP 34 N -2.85 0.32 -3.43 -1.43 8.00 -1.26 -0.36 116.55 115.54 2yql n ASP 34 Ca -0.10 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.00 2yql n ASP 34 Cb 0.83 1.91 0.01 0.00 -0.02 0.00 0.00 41.12 43.85 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 0.22 0.00 -3.35 0.00 4.77 -1.26 -4.34 117.00 113.03 2yql n LEU 36 Ca 0.51 -2.79 -0.14 0.00 -0.03 0.00 0.00 56.01 53.56 2yql n LEU 36 Cb 0.27 0.37 -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 -0.62 -1.33 0.00 0.00 177.39 175.45 2yql s ASP 37 N -3.42 1.01 0.97 -1.43 -1.08 -1.26 -2.89 116.67 108.57 2yql s ASP 37 Ca 0.02 -0.93 -0.12 0.00 -0.52 0.00 0.00 52.55 50.99 2yql s ASP 37 Cb 0.00 0.75 0.17 0.00 -1.46 0.00 0.00 42.92 42.38 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 0.68 0.65 4.34 0.04 -1.26 -4.63 135.00 136.89 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 -2.58 1.11 -1.25 0.04 0.00 0.00 177.00 174.11 2yql s PRO 39 N -4.95 2.84 0.52 0.56 0.04 -1.14 -5.03 135.00 127.84 2yql s PRO 39 Ca 0.65 1.41 0.02 0.00 0.04 0.00 0.00 61.00 63.11 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 -4.78 2.33 0.00 -3.56 1.43 0.51 -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 52.18 2yql s LEU 40 Cb -0.21 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2yql s LEU 40 CO 0.40 -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 3.00 -1.23 -3.99 118.16 115.23 2yql n LYS 41 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.10 2yql n LYS 41 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.71 2yql n LYS 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2yql n THR 42 N -2.28 0.00 -2.21 3.15 -2.24 -1.26 -4.91 114.28 104.53 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 -1.02 2.28 -1.09 -1.26 -4.92 121.20 118.78 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 36.93 2yql s ILE 43 CO 0.08 -0.40 1.94 -2.16 -1.23 0.00 0.00 174.94 173.16 2yql s PRO 44 N 4.65 2.53 0.97 2.79 0.04 -1.26 -4.95 135.00 139.76 2yql s PRO 44 Ca 0.67 -0.67 -0.13 0.00 0.04 0.00 0.00 61.00 60.91 2yql s PRO 44 Cb -0.21 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.22 2yql s PRO 44 CO 0.28 -3.63 0.32 1.63 0.04 0.00 0.00 177.00 175.64 2yql n LYS 45 N 8.61 -0.39 -0.35 4.56 4.76 -1.26 -4.59 118.16 129.50 2yql n LYS 45 Ca 0.42 -0.08 0.04 0.00 -2.87 0.00 0.00 58.31 55.83 2yql n LYS 45 Cb 0.47 -1.81 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yql n GLY 46 N 1.62 -2.73 3.51 0.72 0.00 -1.26 -4.69 105.19 102.35 2yql n GLY 46 Ca 0.06 -1.36 -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 -2.61 0.81 -3.62 1.61 1.56 -1.26 -4.91 117.12 108.70 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 -2.64 -0.05 0.00 2.15 0.00 0.00 33.22 32.84 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 9.79 3.56 -0.03 1.12 -0.00 -1.26 -5.10 118.94 127.03 2yql s TRP 48 Ca 1.12 0.71 -0.00 0.00 -0.00 0.00 0.00 56.10 57.92 2yql s TRP 48 Cb -0.67 -2.10 0.03 0.00 -0.00 0.00 0.00 33.47 30.73 2yql s TRP 48 CO 0.39 0.52 0.04 0.42 -0.00 0.00 0.00 176.95 178.33 2yql s ILE 49 N -1.43 -0.07 0.72 5.86 1.01 -1.26 -3.77 121.20 122.27 2yql s ILE 49 Ca 0.34 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 2yql s ILE 49 Cb -0.13 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 2yql s ILE 49 CO 0.19 0.10 0.59 0.00 0.00 0.00 0.00 174.94 175.82 2yql n PRO 51 N -0.91 0.13 0.16 0.00 -0.04 -1.26 -2.36 135.00 130.72 2yql n PRO 51 Ca 0.10 0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.98 2yql n PRO 51 Cb 0.50 -1.74 0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.04 114.38 112.46 2yql h ARG 52 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2yql h ARG 52 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2yql h ARG 52 CO 0.00 0.42 -0.51 0.00 0.56 0.00 0.00 179.97 180.45 2yql h GLN 54 N -1.00 0.20 -4.57 0.00 4.20 -1.67 -3.34 115.11 108.93 2yql h GLN 54 Ca -0.11 -0.01 -0.71 0.00 0.06 0.00 0.00 58.65 57.88 2yql h GLN 54 Cb 0.78 -0.04 -0.25 0.00 0.30 0.00 0.00 27.48 28.27 2yql h GLN 54 CO -0.07 0.13 -0.50 -0.51 -0.67 0.00 0.00 178.83 177.21 2yql s ASP 55 N -5.72 5.74 0.00 1.46 1.01 -1.15 -5.13 116.67 112.88 2yql s ASP 55 Ca -0.07 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.14 2yql s ASP 55 Cb 0.22 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2yql s ASP 55 CO 0.77 -0.41 0.00 1.67 0.21 0.00 0.00 175.17 177.41