#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrk s SER 2 N 0.00 2.33 0.64 1.61 1.04 -1.26 -5.15 113.70 112.91 2yrk s SER 2 Ca 0.00 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 2yrk s SER 2 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2yrk s SER 2 CO 0.00 0.12 1.00 -0.44 0.98 0.00 0.00 173.24 174.90 2yrk s SER 3 N -1.28 5.63 -0.27 7.02 0.01 -1.26 -5.05 113.70 118.50 2yrk s SER 3 Ca 0.06 0.99 -0.10 0.00 1.31 0.00 0.00 55.95 58.21 2yrk s SER 3 Cb -0.09 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2yrk s SER 3 CO 0.02 -1.14 0.15 -0.83 0.41 0.00 0.00 173.24 171.85 2yrk s GLY 4 N -4.31 1.88 0.16 3.44 0.00 -1.26 -5.08 107.32 102.14 2yrk s GLY 4 Ca 0.56 -1.10 0.11 0.00 0.00 0.00 0.00 44.72 44.28 2yrk s GLY 4 CO 0.49 0.61 -0.25 -0.56 0.00 0.00 0.00 173.10 173.39 2yrk s SER 5 N 1.70 3.28 0.13 1.64 0.01 -1.26 -5.11 113.70 114.09 2yrk s SER 5 Ca 0.07 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.22 2yrk s SER 5 Cb -0.16 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 2yrk s SER 5 CO 0.08 0.14 1.30 -0.55 0.41 0.00 0.00 173.24 174.62 2yrk s SER 6 N -2.33 6.94 0.96 2.44 0.15 -1.26 -4.98 113.70 115.61 2yrk s SER 6 Ca 0.16 2.26 -0.12 0.00 0.70 0.00 0.00 55.95 58.95 2yrk s SER 6 Cb -0.09 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.71 2yrk s SER 6 CO 0.07 -0.54 0.63 0.61 1.20 0.00 0.00 173.24 175.21 2yrk n GLY 7 N 3.01 -1.54 0.00 9.45 0.00 -1.26 -4.66 105.19 110.19 2yrk n GLY 7 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2yrk n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yrk n GLY 8 N 1.13 0.35 3.64 -0.02 0.00 -1.26 -5.11 105.19 103.92 2yrk n GLY 8 Ca 0.08 -0.03 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 2yrk n GLY 8 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2yrk n THR 9 N 0.00 0.12 -4.41 2.61 5.66 -1.26 -4.97 114.28 112.02 2yrk n THR 9 Ca 0.00 -0.02 -0.21 0.00 -3.05 0.00 0.00 64.05 60.77 2yrk n THR 9 Cb 0.00 -1.14 -0.10 0.00 -1.55 0.00 0.00 70.33 67.54 2yrk n THR 9 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2yrk s ASP 10 N 1.53 2.90 0.14 1.09 1.01 -1.26 -5.09 116.67 117.00 2yrk s ASP 10 Ca 0.87 -1.10 -0.33 0.00 0.71 0.00 0.00 52.55 52.70 2yrk s ASP 10 Cb -0.90 -0.19 -0.17 0.00 1.01 0.00 0.00 42.92 42.67 2yrk s ASP 10 CO 0.49 -0.20 1.00 0.61 0.21 0.00 0.00 175.17 177.29 2yrk n GLY 11 N -0.53 -0.41 3.50 0.21 0.00 -1.26 -4.84 105.19 101.87 2yrk n GLY 11 Ca -0.06 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 2yrk n GLY 11 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yrk s THR 12 N -0.34 4.20 0.04 2.61 -1.32 -1.26 -4.96 115.64 114.61 2yrk s THR 12 Ca 0.75 -0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 60.40 2yrk s THR 12 Cb -0.96 -4.87 0.02 0.00 -1.51 0.00 0.00 72.50 65.18 2yrk s THR 12 CO 0.54 -1.70 0.31 -0.54 -2.21 0.00 0.00 174.62 171.03 2yrk s LYS 13 N 4.27 0.82 -0.83 7.08 1.02 -1.26 -5.10 119.74 125.74 2yrk s LYS 13 Ca 0.35 -0.48 -0.25 0.00 0.02 0.00 0.00 55.97 55.61 2yrk s LYS 13 Cb -0.07 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2yrk s LYS 13 CO -0.01 -0.26 1.93 -1.25 -0.92 0.00 0.00 175.35 174.84 2yrk s PRO 14 N -2.50 2.57 0.30 -1.68 0.04 -1.26 -4.89 135.00 127.57 2yrk s PRO 14 Ca -0.05 -0.05 -0.05 0.00 0.04 0.00 0.00 61.00 60.89 2yrk s PRO 14 Cb -0.01 -4.89 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 2yrk s PRO 14 CO -0.03 -3.21 0.42 -1.83 0.04 0.00 0.00 177.00 172.39 2yrk s GLU 15 N 7.02 1.71 -0.53 4.56 -1.05 -1.26 -0.71 118.70 128.45 2yrk s GLU 15 Ca 0.69 -1.61 0.04 0.00 -0.15 0.00 0.00 54.97 53.94 2yrk s GLU 15 Cb -0.08 0.42 0.15 0.00 -0.44 0.00 0.00 34.13 34.18 2yrk s GLU 15 CO 0.05 -0.69 0.33 0.00 0.95 0.00 0.00 175.26 175.90 2yrk h THR 17 N 4.98 0.00 0.13 0.00 1.03 -1.94 1.92 112.91 119.02 2yrk h THR 17 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 66.23 2yrk h THR 17 Cb 0.87 0.46 0.01 0.00 -1.07 0.00 0.00 68.15 68.42 2yrk h THR 17 CO 0.59 0.00 -1.09 0.25 -0.01 0.00 0.00 175.52 175.25 2yrk h LEU 18 N 0.00 0.42 -2.77 0.00 5.85 -1.97 -3.35 115.31 113.49 2yrk h LEU 18 Ca 0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 2yrk h LEU 18 Cb 0.55 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2yrk h LEU 18 CO 0.00 1.50 0.00 0.00 -0.34 0.00 0.00 178.44 179.60 2yrk n GLY 20 N 1.13 -0.50 3.18 0.00 0.00 0.63 -4.90 105.19 104.74 2yrk n GLY 20 Ca 0.18 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2yrk n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrk s VAL 21 N -2.51 3.83 -0.62 1.61 1.01 -1.10 -4.91 120.40 117.72 2yrk s VAL 21 Ca 0.06 -1.83 -0.28 0.00 0.00 0.00 0.00 61.98 59.93 2yrk s VAL 21 Cb -0.03 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2yrk s VAL 21 CO 0.07 -0.69 1.31 -0.75 0.00 0.00 0.00 175.10 175.04 2yrk s LYS 22 N 1.28 3.33 0.69 2.72 2.20 -1.26 -1.47 119.74 127.23 2yrk s LYS 22 Ca 0.06 0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.71 2yrk s LYS 22 Cb -0.24 -4.11 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2yrk s LYS 22 CO -0.02 -1.93 0.70 0.66 -0.36 0.00 0.00 175.35 174.40 2yrk n TYR 23 N 9.23 -0.20 -2.97 4.03 4.01 0.11 -4.93 117.16 126.45 2yrk n TYR 23 Ca 0.09 0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.88 2yrk n TYR 23 Cb 0.49 -1.99 -0.06 0.00 -0.31 0.00 0.00 39.34 37.47 2yrk n TYR 23 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2yrk s SER 24 N -1.47 6.82 0.41 7.72 1.04 -1.26 -4.78 113.70 122.18 2yrk s SER 24 Ca 0.69 1.45 0.36 0.00 0.48 0.00 0.00 55.95 58.93 2yrk s SER 24 Cb -0.36 -2.44 1.29 0.00 0.10 0.00 0.00 66.02 64.61 2yrk s SER 24 CO 0.54 -0.29 1.20 0.00 0.98 0.00 0.00 173.24 175.67 2yrk n ALA 25 N -0.57 1.37 -0.08 5.32 0.00 -1.26 0.31 120.51 125.60 2yrk n ALA 25 Ca 0.05 0.54 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 2yrk n ALA 25 Cb 0.54 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 2yrk n ALA 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2yrk h ARG 26 N 0.00 0.00 -6.23 0.00 2.43 -2.01 -3.48 114.38 105.09 2yrk h ARG 26 Ca 0.72 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 59.39 2yrk h ARG 26 Cb 2.75 0.00 0.25 0.00 -0.42 0.00 0.00 29.97 32.54 2yrk h ARG 26 CO -0.09 0.46 -2.00 -0.11 -1.51 0.00 0.00 179.97 176.72 2yrk n LEU 27 N -4.58 -3.19 -3.91 3.80 7.94 0.15 -5.02 117.00 112.19 2yrk n LEU 27 Ca -0.15 0.03 -0.10 0.00 -1.11 0.00 0.00 56.01 54.68 2yrk n LEU 27 Cb 0.39 -0.72 -0.10 0.00 0.53 0.00 0.00 43.42 43.52 2yrk n LEU 27 CO 0.15 -3.42 -0.22 -0.44 -1.11 0.00 0.00 177.39 172.35 2yrk s SER 28 N -1.29 0.11 0.31 1.96 0.01 -1.26 -4.62 113.70 108.92 2yrk s SER 28 Ca 0.43 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.34 2yrk s SER 28 Cb -0.03 0.19 0.74 0.00 0.21 0.00 0.00 66.02 67.14 2yrk s SER 28 CO 0.69 -0.41 1.57 -0.29 0.41 0.00 0.00 173.24 175.22 2yrk h ILE 29 N 4.13 0.02 0.03 1.44 6.09 -1.95 -1.63 117.51 125.64 2yrk h ILE 29 Ca -0.32 -0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2yrk h ILE 29 Cb 1.19 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.49 2yrk h ILE 29 CO 0.44 0.00 -0.02 0.03 -3.07 0.00 0.00 178.15 175.53 2yrk h ARG 30 N 0.01 -0.05 -1.00 2.19 3.08 -1.98 -1.97 114.38 114.66 2yrk h ARG 30 Ca 0.60 0.00 0.35 0.00 0.07 0.00 0.00 59.98 61.00 2yrk h ARG 30 Cb 1.22 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 2yrk h ARG 30 CO -0.93 -0.03 0.64 -0.25 -1.07 0.00 0.00 179.97 178.33 2yrk n ASP 31 N -2.19 0.16 0.02 7.04 8.00 -0.67 -0.24 116.55 128.65 2yrk n ASP 31 Ca -0.01 1.03 -0.01 0.00 0.71 0.00 0.00 54.79 56.51 2yrk n ASP 31 Cb 0.02 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2yrk n ASP 31 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2yrk h HIS 32 N 0.00 -0.04 0.00 1.24 2.76 -1.04 -3.17 115.15 114.89 2yrk h HIS 32 Ca 0.65 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.82 2yrk h HIS 32 Cb 2.07 0.01 0.00 0.00 1.55 0.00 0.00 27.41 31.04 2yrk h HIS 32 CO -0.00 -0.03 0.35 -0.84 -1.30 0.00 0.00 177.93 176.11 2yrk h ILE 33 N -0.08 0.00 -0.34 6.26 3.07 -0.09 0.26 117.51 126.59 2yrk h ILE 33 Ca -0.00 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.28 2yrk h ILE 33 Cb 0.04 0.49 -0.07 0.00 -0.27 0.00 0.00 36.82 37.00 2yrk h ILE 33 CO 0.01 0.00 0.15 0.49 -1.05 0.00 0.00 178.15 177.75 2yrk n PHE 34 N -2.54 1.11 -3.82 0.16 3.72 0.66 -4.54 117.46 112.21 2yrk n PHE 34 Ca -0.01 -0.73 -0.15 0.00 -0.05 0.00 0.00 57.45 56.51 2yrk n PHE 34 Cb 0.39 -0.42 -0.16 0.00 -0.94 0.00 0.00 39.48 38.35 2yrk n PHE 34 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yrk s SER 35 N -0.13 0.15 0.28 4.37 0.01 0.92 -4.98 113.70 114.32 2yrk s SER 35 Ca 0.24 0.02 0.12 0.00 1.31 0.00 0.00 55.95 57.64 2yrk s SER 35 Cb 0.19 -0.10 0.94 0.00 0.21 0.00 0.00 66.02 67.27 2yrk s SER 35 CO 0.06 -0.11 1.25 1.17 0.41 0.00 0.00 173.24 176.02 2yrk n LYS 36 N 4.05 -0.05 -0.36 12.44 0.00 -1.26 0.32 118.16 133.30 2yrk n LYS 36 Ca -0.26 1.12 -0.01 0.00 0.00 0.00 0.00 58.31 59.17 2yrk n LYS 36 Cb 0.51 -1.95 0.05 0.00 0.00 0.00 0.00 35.03 33.64 2yrk n LYS 36 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2yrk h GLN 37 N 0.00 -0.02 0.43 1.64 5.75 -1.95 0.46 115.11 121.41 2yrk h GLN 37 Ca 0.62 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 59.10 2yrk h GLN 37 Cb 1.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.13 2yrk h GLN 37 CO -0.65 -0.01 -0.21 1.25 -2.65 0.00 0.00 178.83 176.56 2yrk h HIS 38 N -0.02 -0.53 -0.88 3.99 2.76 -0.34 -3.29 115.15 116.83 2yrk h HIS 38 Ca 0.35 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.62 2yrk h HIS 38 Cb 0.61 0.18 -0.13 0.00 1.55 0.00 0.00 27.41 29.61 2yrk h HIS 38 CO -0.83 -0.22 -0.41 -0.89 -1.30 0.00 0.00 177.93 174.29 2yrk n ILE 39 N -5.18 -0.51 -0.38 6.26 -0.00 -0.66 -0.47 119.36 118.41 2yrk n ILE 39 Ca -0.09 2.09 -0.10 0.00 -0.00 0.00 0.00 62.75 64.65 2yrk n ILE 39 Cb 0.29 -2.70 -0.08 0.00 -0.00 0.00 0.00 39.64 37.15 2yrk n ILE 39 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2yrk h SER 40 N 0.00 -2.02 -0.91 4.38 0.87 -1.01 0.61 113.55 115.46 2yrk h SER 40 Ca 0.25 0.32 0.15 0.00 -1.23 0.00 0.00 61.79 61.28 2yrk h SER 40 Cb 0.47 0.90 -0.10 0.00 -0.44 0.00 0.00 62.40 63.24 2yrk h SER 40 CO -0.86 -0.26 0.51 0.50 -0.53 0.00 0.00 176.83 176.19 2yrk h LYS 41 N -0.05 0.70 -0.44 2.24 1.63 -0.85 -0.37 116.57 119.42 2yrk h LYS 41 Ca 0.18 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 2yrk h LYS 41 Cb 0.46 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2yrk h LYS 41 CO -0.90 0.46 0.22 0.28 -3.45 0.00 0.00 179.45 176.05 2yrk h VAL 42 N 0.72 1.18 -0.20 2.00 2.07 0.69 -2.27 116.25 120.43 2yrk h VAL 42 Ca 0.50 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2yrk h VAL 42 Cb 0.70 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2yrk h VAL 42 CO -0.35 0.20 -0.10 0.03 0.02 0.00 0.00 177.57 177.36 2yrk h ARG 43 N 0.57 0.32 0.74 1.57 2.47 0.62 -2.29 114.38 118.38 2yrk h ARG 43 Ca 0.15 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2yrk h ARG 43 Cb 0.11 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2yrk h ARG 43 CO -0.02 0.43 -0.36 0.93 0.56 0.00 0.00 179.97 181.52 2yrk h GLU 44 N 0.31 -0.96 -0.70 0.04 5.08 -0.68 -3.19 114.58 114.47 2yrk h GLU 44 Ca 0.06 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 2yrk h GLU 44 Cb 0.37 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 2yrk h GLU 44 CO 0.02 -0.63 0.29 0.00 -1.00 0.00 0.00 179.01 177.69 2yrk h THR 45 N -1.23 0.74 -3.63 1.13 1.03 -1.39 -3.41 112.91 106.15 2yrk h THR 45 Ca -0.10 -0.16 -0.26 0.00 -0.01 0.00 0.00 66.41 65.87 2yrk h THR 45 Cb 0.78 0.23 -0.31 0.00 -1.07 0.00 0.00 68.15 67.78 2yrk h THR 45 CO 0.17 0.09 -0.72 0.54 -0.01 0.00 0.00 175.52 175.58 2yrk s VAL 46 N -6.05 -0.03 0.43 0.00 0.11 -0.87 -5.13 120.40 108.86 2yrk s VAL 46 Ca -0.13 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2yrk s VAL 46 Cb 0.19 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.98 2yrk s VAL 46 CO 0.76 0.04 0.14 -0.83 -3.33 0.00 0.00 175.10 171.88 2yrk s GLY 47 N 0.52 2.76 -0.49 6.54 0.00 -1.22 -3.95 107.32 111.47 2yrk s GLY 47 Ca -0.04 -1.06 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 2yrk s GLY 47 CO -0.01 -1.85 1.83 -0.56 0.00 0.00 0.00 173.10 172.50 2yrk s SER 48 N -3.65 5.54 0.24 1.64 0.01 -1.26 -4.85 113.70 111.37 2yrk s SER 48 Ca 0.21 0.75 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 2yrk s SER 48 Cb 0.01 -2.53 0.43 0.00 0.21 0.00 0.00 66.02 64.14 2yrk s SER 48 CO 0.14 -2.09 1.78 1.56 0.41 0.00 0.00 173.24 175.04 2yrk h GLN 49 N 14.09 0.63 -5.61 12.44 1.08 -2.03 -3.37 115.11 132.34 2yrk h GLN 49 Ca -0.29 -0.04 -0.32 0.00 -1.45 0.00 0.00 58.65 56.56 2yrk h GLN 49 Cb 1.16 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 2yrk h GLN 49 CO 1.14 0.42 1.01 -1.17 -0.95 0.00 0.00 178.83 179.28 2yrk s LEU 50 N -10.33 3.20 0.02 1.46 0.20 -1.26 -4.72 118.68 107.24 2yrk s LEU 50 Ca -0.12 0.44 0.18 0.00 0.69 0.00 0.00 54.13 55.31 2yrk s LEU 50 Cb 0.20 -2.53 -0.17 0.00 -0.43 0.00 0.00 46.19 43.26 2yrk s LEU 50 CO 0.77 -3.07 0.68 0.47 -0.29 0.00 0.00 176.35 174.92 2yrk n ASP 51 N 15.95 0.65 -4.63 3.68 8.00 -1.26 -4.94 116.55 133.99 2yrk n ASP 51 Ca 0.37 0.28 -0.61 0.00 0.71 0.00 0.00 54.79 55.54 2yrk n ASP 51 Cb 0.50 0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 42.00 2yrk n ASP 51 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yrk n ARG 52 N -2.80 0.28 -2.97 -1.24 5.12 -1.26 -4.89 116.66 108.90 2yrk n ARG 52 Ca -0.12 0.10 -0.38 0.00 -1.93 0.00 0.00 57.85 55.52 2yrk n ARG 52 Cb 0.85 -1.64 -0.06 0.00 -1.16 0.00 0.00 32.46 30.45 2yrk n ARG 52 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2yrk s GLU 53 N 1.56 4.51 0.00 5.56 4.04 -1.26 -5.07 118.70 128.04 2yrk s GLU 53 Ca 0.96 1.13 -0.03 0.00 0.04 0.00 0.00 54.97 57.07 2yrk s GLU 53 Cb -1.29 -3.09 -0.01 0.00 0.02 0.00 0.00 34.13 29.76 2yrk s GLU 53 CO 0.66 0.48 0.06 0.21 -1.84 0.00 0.00 175.26 174.82 2yrk s LYS 54 N -1.51 0.33 0.00 -4.83 2.47 -1.26 -5.31 119.74 109.64 2yrk s LYS 54 Ca 0.40 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 2yrk s LYS 54 Cb -0.21 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.29 2yrk s LYS 54 CO 0.25 -0.07 0.23 -0.40 0.16 0.00 0.00 175.35 175.53