#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbg n GLU 2 N 0.00 0.00 -0.45 2.89 4.07 -1.26 -2.11 120.64 123.78 2kbg n GLU 2 Ca 0.00 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2kbg n GLU 2 Cb 0.00 -0.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 2kbg n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kbg n PRO 3 N -0.21 2.15 -3.61 5.31 -0.04 -1.26 -3.25 135.00 134.08 2kbg n PRO 3 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2kbg n PRO 3 Cb 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.48 2kbg n PRO 3 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kbg s SER 4 N -0.97 -0.20 1.00 3.54 1.04 -1.26 -4.92 113.70 111.93 2kbg s SER 4 Ca 0.00 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 2kbg s SER 4 Cb 0.00 0.17 -0.17 0.00 0.10 0.00 0.00 66.02 66.12 2kbg s SER 4 CO 0.00 -0.18 -1.05 -2.65 0.98 0.00 0.00 173.24 170.35 2kbg n PRO 5 N 0.66 0.00 -0.94 4.02 -0.02 -1.26 -4.85 135.00 132.61 2kbg n PRO 5 Ca -0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.08 2kbg n PRO 5 Cb 0.58 -1.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.10 2kbg n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kbg n PRO 6 N 2.49 0.00 -2.78 0.52 -0.02 -1.26 -4.98 135.00 128.97 2kbg n PRO 6 Ca -0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 2kbg n PRO 6 Cb 0.62 -0.94 0.08 0.00 -0.02 0.00 0.00 33.50 33.24 2kbg n PRO 6 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kbg n SER 7 N 3.27 -1.90 -3.94 2.55 7.64 -1.26 -5.09 113.62 114.89 2kbg n SER 7 Ca -0.02 -3.50 -0.21 0.00 1.01 0.00 0.00 58.87 56.15 2kbg n SER 7 Cb 0.60 1.53 -0.16 0.00 -1.01 0.00 0.00 64.21 65.17 2kbg n SER 7 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kbg s ILE 8 N -0.08 0.74 -0.24 0.44 -1.09 -1.26 -1.93 121.20 117.78 2kbg s ILE 8 Ca 0.24 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 2kbg s ILE 8 Cb 0.31 -0.72 0.04 0.00 -1.58 0.00 0.00 42.46 40.51 2kbg s ILE 8 CO -0.06 0.27 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.52 2kbg s HIS 9 N 0.76 3.09 -0.07 3.97 2.46 -1.08 -4.93 115.29 119.50 2kbg s HIS 9 Ca -0.12 -1.99 -0.12 0.00 0.47 0.00 0.00 55.06 53.31 2kbg s HIS 9 Cb -0.14 -1.96 -0.05 0.00 -0.13 0.00 0.00 32.58 30.30 2kbg s HIS 9 CO 0.01 -0.83 0.29 0.20 -2.47 0.00 0.00 174.74 171.94 2kbg s GLY 10 N 1.20 2.32 -0.07 1.59 0.00 -1.25 -1.34 107.32 109.78 2kbg s GLY 10 Ca -0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 2kbg s GLY 10 CO -0.07 -0.02 0.42 1.20 0.00 0.00 0.00 173.10 174.63 2kbg s GLN 11 N -0.85 0.70 -1.00 2.90 -0.21 -0.90 -4.93 119.66 115.37 2kbg s GLN 11 Ca 0.19 0.14 -0.23 0.00 0.02 0.00 0.00 55.36 55.49 2kbg s GLN 11 Cb -0.14 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 2kbg s GLN 11 CO 0.08 -0.17 1.78 -1.25 -2.12 0.00 0.00 175.29 173.61 2kbg s PRO 12 N -0.82 2.97 -0.00 2.91 0.04 -1.26 -0.27 135.00 138.57 2kbg s PRO 12 Ca -0.09 -0.78 -0.04 0.00 0.04 0.00 0.00 61.00 60.13 2kbg s PRO 12 Cb -0.04 -5.21 -0.02 0.00 0.04 0.00 0.00 34.50 29.27 2kbg s PRO 12 CO 0.04 -3.02 0.66 1.03 0.04 0.00 0.00 177.00 175.76 2kbg h SER 13 N 10.36 -0.12 -4.78 6.66 0.87 -1.84 -3.45 113.55 121.25 2kbg h SER 13 Ca 0.17 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.52 2kbg h SER 13 Cb 0.99 0.03 -0.17 0.00 -0.44 0.00 0.00 62.40 62.81 2kbg h SER 13 CO 1.30 -0.05 -0.70 -0.44 -0.53 0.00 0.00 176.83 176.40 2kbg s SER 14 N -2.78 0.89 0.00 6.23 0.01 -1.23 -5.00 113.70 111.81 2kbg s SER 14 Ca -0.02 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2kbg s SER 14 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2kbg s SER 14 CO 0.06 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2kbg n GLY 15 N 0.50 1.20 0.14 3.44 0.00 -1.26 0.86 105.19 110.06 2kbg n GLY 15 Ca -0.16 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2kbg n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kbg n LYS 16 N 5.22 0.36 -1.83 1.61 5.02 -1.26 -4.96 118.16 122.31 2kbg n LYS 16 Ca 0.00 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.60 2kbg n LYS 16 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 2kbg n LYS 16 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2kbg s SER 17 N -2.83 6.42 -0.19 4.39 0.15 0.25 -4.36 113.70 117.53 2kbg s SER 17 Ca 0.13 2.92 0.01 0.00 0.70 0.00 0.00 55.95 59.71 2kbg s SER 17 Cb 0.17 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2kbg s SER 17 CO 0.73 -0.86 -0.19 0.12 1.20 0.00 0.00 173.24 174.25 2kbg s PHE 18 N -0.32 2.85 -0.50 3.44 5.36 -1.22 -2.42 117.98 125.17 2kbg s PHE 18 Ca 0.60 -1.74 -0.29 0.00 -0.96 0.00 0.00 56.93 54.54 2kbg s PHE 18 Cb -0.46 -1.92 0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2kbg s PHE 18 CO 0.51 -0.82 1.14 0.21 -1.46 0.00 0.00 175.22 174.80 2kbg s LYS 19 N 1.27 3.68 -0.82 10.12 2.20 0.63 -3.84 119.74 132.97 2kbg s LYS 19 Ca 0.03 0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 56.01 2kbg s LYS 19 Cb -0.14 -3.93 0.22 0.00 -1.51 0.00 0.00 37.83 32.47 2kbg s LYS 19 CO -0.12 -1.43 0.76 -0.51 -0.36 0.00 0.00 175.35 173.69 2kbg s LEU 20 N 4.52 6.64 -0.06 5.43 1.43 -1.10 -2.11 118.68 133.43 2kbg s LEU 20 Ca 0.47 -2.74 -0.30 0.00 -1.03 0.00 0.00 54.13 50.53 2kbg s LEU 20 Cb -0.07 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2kbg s LEU 20 CO 0.31 -0.55 1.47 -0.44 0.23 0.00 0.00 176.35 177.37 2kbg s SER 21 N 2.01 6.80 -0.35 2.29 0.01 -0.45 -3.55 113.70 120.46 2kbg s SER 21 Ca 0.18 2.06 -0.27 0.00 1.31 0.00 0.00 55.95 59.23 2kbg s SER 21 Cb -0.11 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.59 2kbg s SER 21 CO -0.09 -0.81 0.98 -0.63 0.41 0.00 0.00 173.24 173.10 2kbg s ILE 22 N 3.32 4.55 -0.33 1.44 -1.09 -0.92 -2.63 121.20 125.54 2kbg s ILE 22 Ca 0.65 1.37 -0.17 0.00 -2.23 0.00 0.00 60.65 60.28 2kbg s ILE 22 Cb -0.30 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.20 2kbg s ILE 22 CO 0.25 -0.53 0.45 -0.89 -1.23 0.00 0.00 174.94 172.99 2kbg s THR 23 N 3.56 5.08 -0.69 2.92 2.01 -0.81 -4.51 115.64 123.21 2kbg s THR 23 Ca 0.41 0.36 -0.37 0.00 0.31 0.00 0.00 61.69 62.39 2kbg s THR 23 Cb -0.12 -3.87 -0.20 0.00 0.01 0.00 0.00 72.50 68.32 2kbg s THR 23 CO 0.18 -0.10 2.29 0.29 -0.69 0.00 0.00 174.62 176.59 2kbg n LYS 24 N 5.57 0.00 -3.95 4.92 4.01 -1.26 -4.86 118.16 122.59 2kbg n LYS 24 Ca -0.06 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.41 2kbg n LYS 24 Cb 0.49 -1.45 -0.14 0.00 -0.51 0.00 0.00 35.03 33.43 2kbg n LYS 24 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2kbg s GLN 25 N 7.01 1.72 0.00 1.97 -2.07 -1.26 -5.07 119.66 121.96 2kbg s GLN 25 Ca 1.22 -1.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 2kbg s GLN 25 Cb -1.35 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 27.28 2kbg s GLN 25 CO 0.57 -0.93 0.00 -0.25 -1.32 0.00 0.00 175.29 173.35 2kbg n ASP 26 N 4.38 0.00 -3.53 12.60 8.00 -1.26 -4.80 116.55 131.93 2kbg n ASP 26 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 2kbg n ASP 26 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 2kbg n ASP 26 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kbg s ASP 27 N -2.62 -0.39 0.00 -2.24 -4.77 -1.20 -4.99 116.67 100.47 2kbg s ASP 27 Ca 0.00 -0.07 0.04 0.00 -3.30 0.00 0.00 52.55 49.22 2kbg s ASP 27 Cb 0.00 0.46 0.27 0.00 -1.09 0.00 0.00 42.92 42.56 2kbg s ASP 27 CO 0.00 -0.77 0.64 0.61 0.70 0.00 0.00 175.17 176.35 2kbg n GLY 28 N -0.31 -0.32 0.00 2.12 0.00 -1.25 -4.15 105.19 101.28 2kbg n GLY 28 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kbg n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kbg n GLY 29 N -0.26 1.39 3.37 -0.02 0.00 -0.90 0.30 105.19 109.08 2kbg n GLY 29 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2kbg n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbg s ALA 30 N -2.00 -1.23 0.39 4.61 0.00 -1.26 -4.97 121.76 117.30 2kbg s ALA 30 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.40 2kbg s ALA 30 Cb 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 2kbg s ALA 30 CO 0.00 -0.36 1.35 -1.25 0.00 0.00 0.00 175.76 175.50 2kbg s PRO 31 N -1.59 4.03 -0.06 0.00 0.04 -1.26 -4.70 135.00 131.45 2kbg s PRO 31 Ca -0.10 2.28 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 2kbg s PRO 31 Cb -0.02 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2kbg s PRO 31 CO 0.05 -0.49 0.64 0.42 0.04 0.00 0.00 177.00 177.65 2kbg s ILE 32 N -1.20 5.05 -0.08 0.56 1.01 -1.26 -4.08 121.20 121.19 2kbg s ILE 32 Ca 0.55 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 62.38 2kbg s ILE 32 Cb -0.41 -3.98 -0.29 0.00 0.01 0.00 0.00 42.46 37.80 2kbg s ILE 32 CO 0.53 0.30 0.61 -0.07 0.00 0.00 0.00 174.94 176.31 2kbg h LEU 33 N 6.54 0.50 -7.95 2.97 4.07 -1.65 -3.39 115.31 116.40 2kbg h LEU 33 Ca -0.42 -0.90 -0.10 0.00 0.08 0.00 0.00 57.88 56.54 2kbg h LEU 33 Cb 1.19 -0.16 -0.14 0.00 1.08 0.00 0.00 40.66 42.64 2kbg h LEU 33 CO 0.74 1.71 -0.37 -1.61 -1.08 0.00 0.00 178.44 177.83 2kbg s GLU 34 N -2.53 0.95 -0.20 1.13 2.02 -1.24 -0.22 118.70 118.62 2kbg s GLU 34 Ca -0.18 -1.06 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 2kbg s GLU 34 Cb 0.05 0.35 -0.00 0.00 0.10 0.00 0.00 34.13 34.62 2kbg s GLU 34 CO 0.81 -0.32 -0.09 0.71 0.02 0.00 0.00 175.26 176.39 2kbg s TYR 35 N -3.91 2.89 -0.42 1.61 1.51 0.12 -0.88 117.35 118.27 2kbg s TYR 35 Ca 0.10 -1.06 -0.18 0.00 -1.01 0.00 0.00 57.07 54.92 2kbg s TYR 35 Cb 0.05 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2kbg s TYR 35 CO -0.06 -0.56 0.49 0.42 -1.11 0.00 0.00 175.55 174.73 2kbg s ILE 36 N 1.25 5.02 -0.13 2.71 1.01 0.14 -0.75 121.20 130.45 2kbg s ILE 36 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 2kbg s ILE 36 Cb -0.14 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2kbg s ILE 36 CO -0.04 -0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 173.65 2kbg s VAL 37 N 2.31 3.36 -0.05 2.92 1.01 0.18 -0.89 120.40 129.24 2kbg s VAL 37 Ca 0.15 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2kbg s VAL 37 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2kbg s VAL 37 CO 0.15 0.52 -0.13 -0.54 0.00 0.00 0.00 175.10 175.10 2kbg s LYS 38 N 0.25 1.57 0.05 2.72 1.02 -0.24 0.89 119.74 125.99 2kbg s LYS 38 Ca -0.07 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.48 2kbg s LYS 38 Cb -0.15 -1.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2kbg s LYS 38 CO 0.04 0.12 -0.05 1.52 -0.92 0.00 0.00 175.35 176.06 2kbg s TYR 39 N 0.35 0.56 0.14 3.18 1.13 -1.06 0.04 117.35 121.69 2kbg s TYR 39 Ca -0.08 -0.67 0.03 0.00 -1.41 0.00 0.00 57.07 54.94 2kbg s TYR 39 Cb -0.13 -0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 40.37 2kbg s TYR 39 CO 0.03 -0.17 0.12 2.89 -2.51 0.00 0.00 175.55 175.90 2kbg n ARG 40 N 1.03 0.18 -3.89 -3.49 1.85 -0.83 -0.79 116.66 110.72 2kbg n ARG 40 Ca -0.20 -1.39 -0.36 0.00 -1.00 0.00 0.00 57.85 54.90 2kbg n ARG 40 Cb 0.57 1.15 -0.07 0.00 -1.05 0.00 0.00 32.46 33.06 2kbg n ARG 40 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2kbg s SER 41 N -1.98 6.23 0.37 2.89 1.04 -1.26 -1.79 113.70 119.21 2kbg s SER 41 Ca 0.17 0.38 0.12 0.00 0.48 0.00 0.00 55.95 57.09 2kbg s SER 41 Cb 0.01 -2.03 0.72 0.00 0.10 0.00 0.00 66.02 64.83 2kbg s SER 41 CO 0.12 0.35 1.84 0.11 0.98 0.00 0.00 173.24 176.63 2kbg h LYS 42 N 5.44 0.07 -0.32 4.02 1.57 -1.31 -2.99 116.57 123.05 2kbg h LYS 42 Ca -0.51 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2kbg h LYS 42 Cb 1.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2kbg h LYS 42 CO 0.62 0.38 0.15 0.22 -0.57 0.00 0.00 179.45 180.26 2kbg h ASP 43 N 0.06 0.39 -4.00 0.86 1.82 -1.95 -3.44 116.42 110.16 2kbg h ASP 43 Ca 0.01 -0.03 -0.39 0.00 -0.39 0.00 0.00 57.03 56.23 2kbg h ASP 43 Cb 0.60 -0.10 -0.14 0.00 0.68 0.00 0.00 39.33 40.37 2kbg h ASP 43 CO 0.04 0.34 -0.62 -1.59 -1.61 0.00 0.00 179.24 175.80 2kbg s LYS 44 N -5.28 1.45 -0.26 0.28 -2.85 -1.13 -5.14 119.74 106.81 2kbg s LYS 44 Ca -0.07 -1.78 -0.01 0.00 -1.00 0.00 0.00 55.97 53.11 2kbg s LYS 44 Cb 0.17 -0.52 0.14 0.00 -2.06 0.00 0.00 37.83 35.57 2kbg s LYS 44 CO 0.73 -0.21 0.40 -1.21 0.10 0.00 0.00 175.35 175.15 2kbg s GLU 45 N -3.95 0.38 0.00 1.78 2.02 -1.26 -4.46 118.70 113.21 2kbg s GLU 45 Ca 0.35 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.76 2kbg s GLU 45 Cb 0.08 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.93 2kbg s GLU 45 CO 0.13 -0.77 0.00 -0.40 0.02 0.00 0.00 175.26 174.24 2kbg n ASP 46 N 5.36 0.00 -3.97 -0.19 5.75 -1.26 -5.15 116.55 117.09 2kbg n ASP 46 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.67 2kbg n ASP 46 Cb 0.50 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 2kbg n ASP 46 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kbg s GLN 47 N -0.47 0.92 -0.04 0.11 -0.21 -1.26 -5.17 119.66 113.54 2kbg s GLN 47 Ca 0.00 -1.14 0.02 0.00 0.02 0.00 0.00 55.36 54.26 2kbg s GLN 47 Cb 0.00 0.32 0.01 0.00 1.00 0.00 0.00 33.01 34.34 2kbg s GLN 47 CO 0.00 -0.29 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.21 2kbg s TRP 48 N -3.93 1.02 0.67 0.91 0.52 -1.26 -4.78 118.94 112.08 2kbg s TRP 48 Ca 0.12 -0.29 -0.11 0.00 0.02 0.00 0.00 56.10 55.84 2kbg s TRP 48 Cb 0.05 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 2kbg s TRP 48 CO -0.05 -0.15 1.05 -0.51 0.02 0.00 0.00 176.95 177.31 2kbg s LEU 49 N 0.42 3.13 0.16 2.99 1.43 0.03 -4.88 118.68 121.96 2kbg s LEU 49 Ca -0.07 1.50 0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2kbg s LEU 49 Cb -0.11 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 2kbg s LEU 49 CO 0.01 -1.25 -0.22 -1.83 0.23 0.00 0.00 176.35 173.29 2kbg s GLU 50 N -5.12 1.59 -0.30 1.70 4.04 -1.26 -2.56 118.70 116.80 2kbg s GLU 50 Ca 0.57 -1.38 -0.04 0.00 0.04 0.00 0.00 54.97 54.15 2kbg s GLU 50 Cb -0.13 -1.95 0.17 0.00 0.02 0.00 0.00 34.13 32.24 2kbg s GLU 50 CO 0.54 0.43 0.61 0.21 -1.84 0.00 0.00 175.26 175.22 2kbg s LYS 51 N -2.42 0.57 0.01 -4.83 2.47 0.26 -4.95 119.74 110.85 2kbg s LYS 51 Ca 0.19 1.16 -0.04 0.00 -1.56 0.00 0.00 55.97 55.72 2kbg s LYS 51 Cb -0.09 0.65 -0.04 0.00 -1.46 0.00 0.00 37.83 36.89 2kbg s LYS 51 CO 0.09 -0.47 0.23 0.15 0.16 0.00 0.00 175.35 175.52 2kbg s LYS 52 N 2.86 3.50 0.06 4.03 -0.14 -1.26 0.51 119.74 129.31 2kbg s LYS 52 Ca 0.11 -0.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2kbg s LYS 52 Cb -0.14 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 32.90 2kbg s LYS 52 CO -0.20 0.65 -0.04 0.08 -0.76 0.00 0.00 175.35 175.08 2kbg s VAL 53 N -1.34 0.35 0.19 3.17 1.01 0.07 -4.94 120.40 118.90 2kbg s VAL 53 Ca 0.29 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2kbg s VAL 53 Cb -0.13 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 2kbg s VAL 53 CO 0.18 -0.83 1.04 -1.58 0.00 0.00 0.00 175.10 173.92 2kbg s GLN 54 N -3.27 4.67 0.00 2.72 0.74 -1.26 0.12 119.66 123.38 2kbg s GLN 54 Ca 0.03 1.64 0.00 0.00 0.05 0.00 0.00 55.36 57.07 2kbg s GLN 54 Cb 0.03 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2kbg s GLN 54 CO -0.06 0.21 0.40 0.41 -0.55 0.00 0.00 175.29 175.70 2kbg n GLY 55 N 1.84 0.00 0.00 2.59 0.00 0.69 0.60 105.19 110.92 2kbg n GLY 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kbg n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbg n ASN 56 N -0.90 0.35 0.01 1.61 3.02 -1.26 -4.71 115.26 113.38 2kbg n ASN 56 Ca 0.00 -0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 53.76 2kbg n ASN 56 Cb 0.00 0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 2kbg n ASN 56 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2kbg h LYS 57 N 0.00 0.03 -4.70 3.52 1.63 -0.20 -3.46 116.57 113.39 2kbg h LYS 57 Ca 0.00 -0.01 -0.39 0.00 -0.85 0.00 0.00 60.65 59.40 2kbg h LYS 57 Cb 0.01 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2kbg h LYS 57 CO 0.00 0.25 -0.58 -0.25 -3.45 0.00 0.00 179.45 175.43 2kbg n ASP 58 N -4.96 -5.32 -3.64 4.20 8.00 -1.25 -4.94 116.55 108.64 2kbg n ASP 58 Ca -0.07 -0.29 -0.02 0.00 0.71 0.00 0.00 54.79 55.11 2kbg n ASP 58 Cb 0.14 -4.33 -0.04 0.00 -0.02 0.00 0.00 41.12 36.87 2kbg n ASP 58 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2kbg s HIS 59 N -3.08 -0.05 -0.07 1.24 -3.43 -1.26 -2.17 115.29 106.47 2kbg s HIS 59 Ca 0.31 0.08 -0.16 0.00 -0.80 0.00 0.00 55.06 54.49 2kbg s HIS 59 Cb -0.15 0.49 0.03 0.00 -1.43 0.00 0.00 32.58 31.53 2kbg s HIS 59 CO 0.38 -0.05 0.37 0.96 -2.00 0.00 0.00 174.74 174.41 2kbg s ILE 60 N -1.15 0.03 -0.29 -5.38 -4.36 -1.23 -4.91 121.20 103.91 2kbg s ILE 60 Ca 0.09 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 2kbg s ILE 60 Cb -0.01 -0.63 0.06 0.00 1.25 0.00 0.00 42.46 43.13 2kbg s ILE 60 CO -0.07 -0.14 -0.03 -0.63 0.24 0.00 0.00 174.94 174.31 2kbg s ILE 61 N -0.75 2.63 -0.51 8.37 -1.09 -1.26 -2.72 121.20 125.87 2kbg s ILE 61 Ca -0.08 -1.58 -0.20 0.00 -2.23 0.00 0.00 60.65 56.56 2kbg s ILE 61 Cb -0.04 -2.57 0.05 0.00 -1.58 0.00 0.00 42.46 38.33 2kbg s ILE 61 CO 0.03 -0.13 0.66 -0.76 -1.23 0.00 0.00 174.94 173.51 2kbg s LEU 62 N 1.16 4.83 0.25 2.97 2.01 -1.25 -4.97 118.68 123.69 2kbg s LEU 62 Ca -0.05 -0.81 -0.07 0.00 0.01 0.00 0.00 54.13 53.21 2kbg s LEU 62 Cb -0.20 -2.51 -0.06 0.00 0.01 0.00 0.00 46.19 43.43 2kbg s LEU 62 CO -0.03 -0.92 0.54 -0.70 1.01 0.00 0.00 176.35 176.25 2kbg s GLU 63 N 2.80 3.72 0.00 1.70 2.12 -1.26 -3.42 118.70 124.35 2kbg s GLU 63 Ca 0.17 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2kbg s GLU 63 Cb -0.18 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2kbg s GLU 63 CO 0.13 0.27 0.00 1.58 -0.54 0.00 0.00 175.26 176.71 2kbg n HIS 64 N -0.48 0.00 -3.93 5.30 -0.00 -1.26 -4.98 115.22 109.87 2kbg n HIS 64 Ca -0.01 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2kbg n HIS 64 Cb 0.53 -2.14 -0.14 0.00 -0.12 0.00 0.00 29.99 28.13 2kbg n HIS 64 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kbg s LEU 65 N -2.62 4.43 0.51 0.27 1.43 -1.26 -5.06 118.68 116.37 2kbg s LEU 65 Ca 0.00 -3.16 -0.15 0.00 -1.03 0.00 0.00 54.13 49.79 2kbg s LEU 65 Cb 0.00 -1.65 -0.13 0.00 0.03 0.00 0.00 46.19 44.45 2kbg s LEU 65 CO 0.00 -0.21 -0.22 0.00 0.23 0.00 0.00 176.35 176.15 2kbg n GLN 66 N 2.92 0.00 0.00 1.70 6.02 -1.26 -4.82 117.38 121.94 2kbg n GLN 66 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.21 2kbg n GLN 66 Cb 0.33 -0.85 0.63 0.00 1.02 0.00 0.00 30.24 31.37 2kbg n GLN 66 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2kbg n TRP 67 N -1.44 0.00 -0.57 1.08 7.02 -1.26 -3.49 117.44 118.77 2kbg n TRP 67 Ca 0.05 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.59 2kbg n TRP 67 Cb 0.41 -0.25 0.15 0.00 -2.42 0.00 0.00 31.31 29.20 2kbg n TRP 67 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2kbg n THR 68 N -1.14 1.57 -3.78 -0.99 -2.24 -1.26 -3.65 114.28 102.79 2kbg n THR 68 Ca 0.13 -1.54 -0.13 0.00 -2.27 0.00 0.00 64.05 60.24 2kbg n THR 68 Cb 0.28 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 2kbg n THR 68 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2kbg s MET 69 N -1.95 0.23 0.41 -0.78 -1.94 -1.23 -5.04 119.30 109.00 2kbg s MET 69 Ca 0.25 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 2kbg s MET 69 Cb 0.19 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 37.05 2kbg s MET 69 CO 0.07 -0.08 0.62 0.20 -0.01 0.00 0.00 175.02 175.83 2kbg s GLY 70 N 0.50 1.46 -0.03 -0.03 0.00 -1.26 -4.02 107.32 103.95 2kbg s GLY 70 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 2kbg s GLY 70 CO -0.03 -0.84 0.05 -0.19 0.00 0.00 0.00 173.10 172.10 2kbg s TYR 71 N -2.46 -0.03 0.29 1.90 1.51 -1.21 -0.77 117.35 116.58 2kbg s TYR 71 Ca 0.45 0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 56.57 2kbg s TYR 71 Cb -0.10 -0.15 -0.08 0.00 -0.11 0.00 0.00 41.96 41.52 2kbg s TYR 71 CO 0.38 -0.09 0.66 -1.21 -1.11 0.00 0.00 175.55 174.18 2kbg s GLU 72 N 0.85 3.93 -0.03 -0.62 2.02 -0.74 -3.91 118.70 120.19 2kbg s GLU 72 Ca -0.07 0.52 0.05 0.00 0.02 0.00 0.00 54.97 55.48 2kbg s GLU 72 Cb -0.10 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 2kbg s GLU 72 CO -0.03 0.22 -0.17 0.08 0.02 0.00 0.00 175.26 175.39 2kbg s VAL 73 N -1.91 1.35 -0.25 2.63 1.01 0.37 -1.96 120.40 121.63 2kbg s VAL 73 Ca 0.51 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 2kbg s VAL 73 Cb -0.11 -1.15 0.07 0.00 0.00 0.00 0.00 36.38 35.20 2kbg s VAL 73 CO 0.19 0.39 0.02 -1.58 0.00 0.00 0.00 175.10 174.12 2kbg s GLN 74 N -0.16 1.10 -0.06 2.72 0.74 0.11 0.15 119.66 124.26 2kbg s GLN 74 Ca 0.01 -0.93 -0.17 0.00 0.05 0.00 0.00 55.36 54.32 2kbg s GLN 74 Cb -0.09 -2.35 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 2kbg s GLN 74 CO 0.01 -0.75 0.44 0.42 -0.55 0.00 0.00 175.29 174.87 2kbg s ILE 75 N 1.54 5.09 -0.10 -2.34 1.09 0.89 -1.08 121.20 126.30 2kbg s ILE 75 Ca 0.01 0.90 -0.03 0.00 -1.10 0.00 0.00 60.65 60.43 2kbg s ILE 75 Cb -0.18 -3.77 0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2kbg s ILE 75 CO -0.12 0.45 0.06 -0.89 -0.10 0.00 0.00 174.94 174.34 2kbg s THR 76 N -0.24 0.03 -0.10 2.92 2.01 -0.07 0.41 115.64 120.61 2kbg s THR 76 Ca 0.25 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 2kbg s THR 76 Cb -0.16 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 2kbg s THR 76 CO 0.12 0.02 0.73 0.00 -0.69 0.00 0.00 174.62 174.79 2kbg s ALA 77 N 2.10 3.38 -0.40 7.40 0.00 -1.15 0.27 121.76 133.36 2kbg s ALA 77 Ca 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 2kbg s ALA 77 Cb -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2kbg s ALA 77 CO -0.06 -0.25 0.24 0.00 0.00 0.00 0.00 175.76 175.69 2kbg s ALA 78 N 1.16 3.30 0.00 0.00 0.00 -0.06 0.14 121.76 126.30 2kbg s ALA 78 Ca 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2kbg s ALA 78 Cb -0.17 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2kbg s ALA 78 CO 0.17 -1.54 0.00 0.27 0.00 0.00 0.00 175.76 174.66 2kbg n ASN 79 N 4.97 1.07 -0.27 0.00 0.23 -1.26 -1.57 115.26 118.44 2kbg n ASN 79 Ca -0.11 -0.82 0.29 0.00 -0.53 0.00 0.00 54.58 53.42 2kbg n ASN 79 Cb 0.44 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.82 2kbg n ASN 79 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2kbg h ARG 80 N 0.00 0.10 -0.72 -3.83 -0.00 -1.84 0.92 114.38 109.01 2kbg h ARG 80 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.44 2kbg h ARG 80 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 29.91 2kbg h ARG 80 CO 0.00 0.07 0.30 -0.07 0.00 0.00 0.00 179.97 180.27 2kbg h LEU 81 N 0.11 0.99 0.00 3.04 -0.00 -1.94 -3.47 115.31 114.04 2kbg h LEU 81 Ca 0.52 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 2kbg h LEU 81 Cb 1.86 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2kbg h LEU 81 CO -0.08 0.88 0.00 0.61 -0.00 0.00 0.00 178.44 179.85 2kbg n GLY 82 N -0.88 3.50 3.37 0.83 0.00 0.32 -5.03 105.19 107.29 2kbg n GLY 82 Ca 0.06 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2kbg n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kbg s TYR 83 N 0.00 -0.52 0.17 1.61 1.51 -1.26 -4.00 117.35 114.86 2kbg s TYR 83 Ca 0.00 1.27 -0.20 0.00 -1.01 0.00 0.00 57.07 57.13 2kbg s TYR 83 Cb 0.00 0.18 0.05 0.00 -0.11 0.00 0.00 41.96 42.07 2kbg s TYR 83 CO 0.00 -0.25 0.54 -1.54 -1.11 0.00 0.00 175.55 173.19 2kbg s SER 84 N 0.25 -0.39 -0.77 2.29 1.04 0.12 -4.84 113.70 111.41 2kbg s SER 84 Ca -0.00 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.98 2kbg s SER 84 Cb -0.03 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.69 2kbg s SER 84 CO 0.01 -0.99 0.38 1.21 0.98 0.00 0.00 173.24 174.82 2kbg n GLU 85 N -0.34 -0.56 -2.22 4.02 0.00 -1.26 -2.95 120.64 117.32 2kbg n GLU 85 Ca -0.14 -0.15 -0.35 0.00 0.00 0.00 0.00 57.16 56.52 2kbg n GLU 85 Cb 0.64 -1.23 0.01 0.00 0.00 0.00 0.00 31.44 30.85 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2kbg s PRO 86 N -6.48 3.31 -0.16 5.31 0.04 -1.26 -4.55 135.00 131.21 2kbg s PRO 86 Ca 0.28 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 2kbg s PRO 86 Cb -0.16 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2kbg s PRO 86 CO 0.61 -0.89 -0.07 0.99 0.04 0.00 0.00 177.00 177.68 2kbg s THR 87 N -1.79 1.19 -0.75 1.26 2.01 0.17 -4.87 115.64 112.86 2kbg s THR 87 Ca 0.73 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 2kbg s THR 87 Cb -0.24 -1.30 0.14 0.00 0.01 0.00 0.00 72.50 71.10 2kbg s THR 87 CO 0.28 0.21 0.87 -0.69 -0.69 0.00 0.00 174.62 174.59 2kbg s VAL 88 N 1.61 4.94 0.10 3.82 1.01 -1.26 -0.07 120.40 130.54 2kbg s VAL 88 Ca 0.02 -1.47 -0.06 0.00 0.00 0.00 0.00 61.98 60.47 2kbg s VAL 88 Cb -0.15 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2kbg s VAL 88 CO -0.08 -1.24 0.35 -0.47 0.00 0.00 0.00 175.10 173.66 2kbg s TYR 89 N 2.20 3.52 -0.06 5.22 5.04 0.12 -4.97 117.35 128.42 2kbg s TYR 89 Ca 0.20 0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 55.38 2kbg s TYR 89 Cb -0.15 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.17 2kbg s TYR 89 CO -0.02 0.49 0.16 -1.83 -1.34 0.00 0.00 175.55 173.01 2kbg s GLU 90 N -2.32 0.15 -0.29 4.97 -1.05 -1.26 -0.48 118.70 118.42 2kbg s GLU 90 Ca 0.36 0.29 -0.19 0.00 -0.15 0.00 0.00 54.97 55.28 2kbg s GLU 90 Cb -0.13 -0.02 0.13 0.00 -0.44 0.00 0.00 34.13 33.67 2kbg s GLU 90 CO 0.22 -0.08 0.96 -0.59 0.95 0.00 0.00 175.26 176.71 2kbg s PHE 91 N 0.54 -0.60 0.70 4.83 -0.71 -1.25 -5.03 117.98 116.46 2kbg s PHE 91 Ca -0.04 1.28 -0.04 0.00 -1.04 0.00 0.00 56.93 57.10 2kbg s PHE 91 Cb -0.05 0.38 0.09 0.00 -1.21 0.00 0.00 43.02 42.23 2kbg s PHE 91 CO -0.03 -0.29 0.99 -1.54 -1.34 0.00 0.00 175.22 173.01 2kbg s SER 92 N 0.96 4.55 -0.02 1.98 1.04 -1.26 -3.29 113.70 117.67 2kbg s SER 92 Ca -0.05 0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 2kbg s SER 92 Cb -0.04 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 2kbg s SER 92 CO -0.12 -1.72 0.04 -0.04 0.98 0.00 0.00 173.24 172.38 2kbg s MET 93 N -5.17 2.96 0.78 4.02 -1.94 -1.26 -4.93 119.30 113.76 2kbg s MET 93 Ca 0.63 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 2kbg s MET 93 Cb -0.08 -2.79 0.06 0.00 2.01 0.00 0.00 34.83 34.03 2kbg s MET 93 CO 0.44 0.65 1.11 -1.25 -0.01 0.00 0.00 175.02 175.96 2kbg s PRO 94 N -1.55 2.24 0.66 2.03 0.04 -1.26 -4.66 135.00 132.50 2kbg s PRO 94 Ca 0.20 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.58 2kbg s PRO 94 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kbg s PRO 94 CO 0.11 -1.48 1.20 -1.25 0.04 0.00 0.00 177.00 175.61 2kbg s PRO 95 N -5.27 2.59 -0.02 0.56 0.04 -1.24 -4.52 135.00 127.14 2kbg s PRO 95 Ca 0.60 1.74 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 2kbg s PRO 95 Cb -0.13 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 2kbg s PRO 95 CO 0.53 -1.49 0.88 1.17 0.04 0.00 0.00 177.00 178.14 2kbg n LYS 96 N -2.19 0.00 -2.64 4.56 3.00 -1.26 -4.91 118.16 114.72 2kbg n LYS 96 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.11 2kbg n LYS 96 Cb 0.50 -1.21 -0.05 0.00 0.00 0.00 0.00 35.03 34.27 2kbg n LYS 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kbg s PRO 97 N 0.12 4.04 -0.12 1.64 0.04 -1.26 -5.02 135.00 134.45 2kbg s PRO 97 Ca 0.74 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 2kbg s PRO 97 Cb -1.03 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2kbg s PRO 97 CO 0.47 -0.20 -0.25 -1.71 0.04 0.00 0.00 177.00 175.36 2kbg n ASN 98 N -0.96 1.62 0.12 6.66 2.85 -1.26 -4.63 115.26 119.65 2kbg n ASN 98 Ca 0.07 0.26 -0.03 0.00 -0.11 0.00 0.00 54.58 54.78 2kbg n ASN 98 Cb 0.54 -0.61 0.14 0.00 1.24 0.00 0.00 39.78 41.08 2kbg n ASN 98 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2kbg h ILE 99 N -0.70 1.45 -3.60 -1.44 3.07 -2.03 -3.49 117.51 110.77 2kbg h ILE 99 Ca -0.12 -2.18 0.00 0.00 1.55 0.00 0.00 64.86 64.11 2kbg h ILE 99 Cb 0.88 2.16 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 2kbg h ILE 99 CO -0.07 0.63 -0.56 -0.38 -1.05 0.00 0.00 178.15 176.72 2kbg n ILE 100 N -3.79 -3.29 0.00 0.16 5.41 -1.26 -5.08 119.36 111.51 2kbg n ILE 100 Ca -0.02 1.52 0.00 0.00 1.00 0.00 0.00 62.75 65.26 2kbg n ILE 100 Cb 0.64 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2kbg n ILE 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2kbg n LYS 101 N 0.22 0.00 0.00 0.38 4.81 -1.26 -5.19 118.16 117.12 2kbg n LYS 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kbg n LYS 101 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kbg n LYS 101 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10