#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 -0.14 0.00 -1.26 -2.63 120.64 116.16 2kbg n GLU 2 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.61 2kbg n GLU 2 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.14 2kbg n GLU 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2kbg n PRO 3 N -0.39 2.07 -3.88 5.31 -0.04 -1.26 -3.97 135.00 132.84 2kbg n PRO 3 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2kbg n PRO 3 Cb 0.00 0.00 0.02 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 -1.00 0.02 1.23 3.54 1.04 -1.26 -4.91 113.70 112.36 2kbg s SER 4 Ca 0.00 -0.82 -0.19 0.00 0.48 0.00 0.00 55.95 55.42 2kbg s SER 4 Cb 0.00 0.59 0.30 0.00 0.10 0.00 0.00 66.02 67.00 2kbg s SER 4 CO 0.00 -1.17 1.06 -2.84 0.98 0.00 0.00 173.24 171.26 2kbg s PRO 5 N -2.08 -1.44 0.76 4.02 0.02 -1.26 -4.80 135.00 130.22 2kbg s PRO 5 Ca 0.21 0.13 -0.11 0.00 0.02 0.00 0.00 61.00 61.25 2kbg s PRO 5 Cb -0.03 -1.55 -0.01 0.00 0.02 0.00 0.00 34.50 32.92 2kbg s PRO 5 CO 0.07 -3.90 -0.34 -2.30 -0.33 0.00 0.00 177.00 170.21 2kbg n PRO 6 N -4.93 -0.54 -2.67 5.54 -0.02 -1.26 -4.99 135.00 126.14 2kbg n PRO 6 Ca 0.11 -0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.39 2kbg n PRO 6 Cb 0.59 -1.13 0.05 0.00 -0.02 0.00 0.00 33.50 32.99 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 2.05 -1.36 -3.97 2.55 7.64 -1.26 -5.05 113.62 114.22 2kbg n SER 7 Ca 0.01 -1.98 -0.22 0.00 1.01 0.00 0.00 58.87 57.68 2kbg n SER 7 Cb 0.29 1.13 -0.16 0.00 -1.01 0.00 0.00 64.21 64.46 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 0.87 -0.21 0.44 -1.09 -1.26 -1.21 121.20 118.82 2kbg s ILE 8 Ca 0.13 -0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 2kbg s ILE 8 Cb 0.20 -0.82 0.04 0.00 -1.58 0.00 0.00 42.46 40.30 2kbg s ILE 8 CO -0.09 0.29 -0.14 -2.28 -1.23 0.00 0.00 174.94 171.49 2kbg s HIS 9 N 0.68 2.82 0.08 3.97 2.46 -0.82 -4.90 115.29 119.57 2kbg s HIS 9 Ca -0.12 -1.84 -0.09 0.00 0.47 0.00 0.00 55.06 53.48 2kbg s HIS 9 Cb -0.14 -1.84 -0.06 0.00 -0.13 0.00 0.00 32.58 30.41 2kbg s HIS 9 CO 0.02 -0.81 0.39 0.20 -2.47 0.00 0.00 174.74 172.07 2kbg s GLY 10 N 1.26 2.33 -0.20 1.59 0.00 -1.25 0.04 107.32 111.09 2kbg s GLY 10 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 2kbg s GLY 10 CO -0.09 -0.19 0.27 1.20 0.00 0.00 0.00 173.10 174.28 2kbg s GLN 11 N -1.94 0.22 -0.81 2.90 -1.52 -0.82 -4.94 119.66 112.75 2kbg s GLN 11 Ca 0.33 0.37 -0.27 0.00 -1.95 0.00 0.00 55.36 53.84 2kbg s GLN 11 Cb -0.14 -0.85 -0.17 0.00 -0.22 0.00 0.00 33.01 31.63 2kbg s GLN 11 CO 0.18 -0.60 2.53 -2.30 -0.25 0.00 0.00 175.29 174.86 2kbg n PRO 12 N 5.34 0.40 -1.67 2.91 -0.02 -1.26 -2.12 135.00 138.57 2kbg n PRO 12 Ca -0.05 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.08 2kbg n PRO 12 Cb 0.50 -2.29 0.14 0.00 -0.02 0.00 0.00 33.50 31.82 2kbg n PRO 12 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kbg s SER 13 N 9.48 3.59 0.28 2.55 0.15 -0.50 -4.95 113.70 124.31 2kbg s SER 13 Ca 1.19 0.79 -0.30 0.00 0.70 0.00 0.00 55.95 58.33 2kbg s SER 13 Cb -0.76 -1.25 -0.12 0.00 -1.71 0.00 0.00 66.02 62.17 2kbg s SER 13 CO 0.39 -2.48 1.54 -1.20 1.20 0.00 0.00 173.24 172.69 2kbg n SER 14 N -3.70 3.54 0.00 5.45 7.64 -1.26 -4.33 113.62 120.96 2kbg n SER 14 Ca 0.09 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2kbg n SER 14 Cb 0.60 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2kbg n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kbg n GLY 15 N 2.20 -0.90 2.67 0.23 0.00 -1.26 -4.16 105.19 103.98 2kbg n GLY 15 Ca 0.10 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 2.68 -4.41 1.61 5.02 -1.26 -4.93 118.16 116.87 2kbg n LYS 16 Ca 0.00 -3.32 -0.29 0.00 -2.02 0.00 0.00 58.31 52.68 2kbg n LYS 16 Cb 0.00 -2.25 -0.13 0.00 -0.02 0.00 0.00 35.03 32.63 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 -1.20 3.26 -0.13 4.39 0.15 -1.26 -1.18 113.70 117.73 2kbg s SER 17 Ca 0.56 -0.74 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2kbg s SER 17 Cb 0.45 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 2kbg s SER 17 CO -0.26 0.18 -0.11 0.12 1.20 0.00 0.00 173.24 174.36 2kbg s PHE 18 N -1.05 1.84 -0.77 3.44 5.36 -1.22 -1.40 117.98 124.17 2kbg s PHE 18 Ca 0.13 -1.00 -0.26 0.00 -0.96 0.00 0.00 56.93 54.84 2kbg s PHE 18 Cb -0.10 -1.42 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 2kbg s PHE 18 CO 0.06 -0.60 1.28 0.21 -1.46 0.00 0.00 175.22 174.70 2kbg s LYS 19 N 1.59 3.23 -0.59 10.12 2.20 -0.90 -3.78 119.74 131.61 2kbg s LYS 19 Ca 0.05 -0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.07 2kbg s LYS 19 Cb -0.13 -4.33 0.10 0.00 -1.51 0.00 0.00 37.83 31.96 2kbg s LYS 19 CO -0.09 -2.13 0.72 -0.51 -0.36 0.00 0.00 175.35 172.97 2kbg s LEU 20 N 5.50 5.33 -0.02 5.43 1.43 -1.09 -1.94 118.68 133.32 2kbg s LEU 20 Ca 0.35 -1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 51.75 2kbg s LEU 20 Cb -0.08 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2kbg s LEU 20 CO 0.11 -1.13 1.26 -0.55 0.23 0.00 0.00 176.35 176.27 2kbg s SER 21 N 3.61 7.00 -0.40 2.29 0.15 0.11 -3.27 113.70 123.18 2kbg s SER 21 Ca 0.12 1.94 -0.22 0.00 0.70 0.00 0.00 55.95 58.49 2kbg s SER 21 Cb -0.24 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2kbg s SER 21 CO 0.07 -0.60 0.75 -0.63 1.20 0.00 0.00 173.24 174.02 2kbg s ILE 22 N 2.02 4.74 0.19 6.45 -1.09 -0.83 -1.95 121.20 130.73 2kbg s ILE 22 Ca 0.59 0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 59.39 2kbg s ILE 22 Cb -0.28 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.30 2kbg s ILE 22 CO 0.25 -0.54 0.70 -0.89 -1.23 0.00 0.00 174.94 173.23 2kbg s THR 23 N 3.08 4.57 -0.33 2.92 2.01 -0.35 -4.52 115.64 123.02 2kbg s THR 23 Ca 0.29 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 2kbg s THR 23 Cb -0.13 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 2kbg s THR 23 CO 0.19 0.30 1.44 -0.75 -0.69 0.00 0.00 174.62 175.10 2kbg s LYS 24 N -1.75 3.72 0.42 4.92 2.20 -1.26 -4.88 119.74 123.10 2kbg s LYS 24 Ca 0.40 1.21 0.07 0.00 -0.36 0.00 0.00 55.97 57.29 2kbg s LYS 24 Cb -0.18 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2kbg s LYS 24 CO 0.21 -1.38 0.23 1.14 -0.36 0.00 0.00 175.35 175.20 2kbg s GLN 25 N 4.66 2.30 -0.32 4.03 1.03 -1.26 -5.02 119.66 125.09 2kbg s GLN 25 Ca 0.63 -1.78 -0.36 0.00 0.04 0.00 0.00 55.36 53.89 2kbg s GLN 25 Cb -0.17 -2.08 -0.12 0.00 0.03 0.00 0.00 33.01 30.67 2kbg s GLN 25 CO 0.29 -0.15 2.10 -0.25 -2.54 0.00 0.00 175.29 174.74 2kbg n ASP 26 N -1.33 2.27 -4.76 12.60 8.00 -1.26 -4.89 116.55 127.18 2kbg n ASP 26 Ca -0.00 0.56 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 2kbg n ASP 26 Cb 0.64 -1.25 0.11 0.00 -0.02 0.00 0.00 41.12 40.60 2kbg n ASP 26 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kbg s ASP 27 N 6.47 4.10 0.00 -2.24 1.01 -1.26 -4.53 116.67 120.22 2kbg s ASP 27 Ca 1.07 1.49 0.00 0.00 0.71 0.00 0.00 52.55 55.81 2kbg s ASP 27 Cb -0.88 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 40.85 2kbg s ASP 27 CO 0.52 -2.24 0.04 0.61 0.21 0.00 0.00 175.17 174.31 2kbg n GLY 28 N -1.52 0.00 0.00 0.21 0.00 -1.25 -4.48 105.19 98.15 2kbg n GLY 28 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.07 0.98 3.28 -0.02 0.00 -1.08 -0.45 105.19 107.83 2kbg n GLY 29 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.92 0.34 4.61 0.00 -1.26 -4.97 121.76 117.56 2kbg s ALA 30 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 2kbg s ALA 30 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 2kbg s ALA 30 CO 0.00 -0.27 1.35 -1.25 0.00 0.00 0.00 175.76 175.59 2kbg s PRO 31 N -1.22 4.29 -0.08 0.00 0.04 -1.26 -4.72 135.00 132.04 2kbg s PRO 31 Ca -0.12 2.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.97 2kbg s PRO 31 Cb -0.04 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2kbg s PRO 31 CO 0.05 -0.27 0.72 0.42 0.04 0.00 0.00 177.00 177.96 2kbg s ILE 32 N -1.14 5.03 0.01 0.56 1.01 -1.26 -4.08 121.20 121.33 2kbg s ILE 32 Ca 0.50 1.47 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 2kbg s ILE 32 Cb -0.41 -4.05 -0.34 0.00 0.01 0.00 0.00 42.46 37.66 2kbg s ILE 32 CO 0.55 0.22 0.93 -0.07 0.00 0.00 0.00 174.94 176.57 2kbg h LEU 33 N 6.97 0.78 -8.33 2.97 3.38 -1.52 -3.41 115.31 116.15 2kbg h LEU 33 Ca -0.39 -0.90 -0.11 0.00 0.09 0.00 0.00 57.88 56.57 2kbg h LEU 33 Cb 1.19 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 2kbg h LEU 33 CO 0.76 1.72 -0.25 -1.61 0.09 0.00 0.00 178.44 179.15 2kbg s GLU 34 N -2.60 1.47 -0.14 1.13 8.01 -1.24 -2.73 118.70 122.60 2kbg s GLU 34 Ca -0.10 -1.36 0.01 0.00 0.01 0.00 0.00 54.97 53.53 2kbg s GLU 34 Cb 0.04 0.42 0.02 0.00 -4.31 0.00 0.00 34.13 30.30 2kbg s GLU 34 CO 0.92 -0.58 -0.17 0.71 0.01 0.00 0.00 175.26 176.16 2kbg s TYR 35 N -4.04 2.30 -0.39 1.61 1.51 0.13 -1.35 117.35 117.12 2kbg s TYR 35 Ca 0.27 -1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 2kbg s TYR 35 Cb 0.01 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2kbg s TYR 35 CO 0.10 -0.64 0.43 0.42 -1.11 0.00 0.00 175.55 174.75 2kbg s ILE 36 N 1.22 5.10 -0.15 2.71 1.01 0.11 0.27 121.20 131.46 2kbg s ILE 36 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2kbg s ILE 36 Cb -0.14 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2kbg s ILE 36 CO -0.07 -0.32 -0.08 -0.69 0.00 0.00 0.00 174.94 173.77 2kbg s VAL 37 N 2.14 3.38 -0.06 2.92 1.01 0.17 -0.78 120.40 129.18 2kbg s VAL 37 Ca 0.13 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2kbg s VAL 37 Cb -0.17 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2kbg s VAL 37 CO 0.13 0.50 -0.23 -0.54 0.00 0.00 0.00 175.10 174.96 2kbg s LYS 38 N 0.56 2.42 0.04 2.72 1.02 0.34 0.21 119.74 127.04 2kbg s LYS 38 Ca -0.06 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 2kbg s LYS 38 Cb -0.15 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 2kbg s LYS 38 CO 0.03 0.32 -0.00 1.52 -0.92 0.00 0.00 175.35 176.30 2kbg s TYR 39 N -0.04 0.34 0.10 3.18 1.13 -0.91 0.65 117.35 121.80 2kbg s TYR 39 Ca -0.06 -0.73 0.01 0.00 -1.41 0.00 0.00 57.07 54.89 2kbg s TYR 39 Cb -0.14 -0.25 -0.00 0.00 -1.10 0.00 0.00 41.96 40.47 2kbg s TYR 39 CO 0.04 -0.30 0.11 2.89 -2.51 0.00 0.00 175.55 175.78 2kbg n ARG 40 N 0.85 0.16 -3.92 -3.49 1.85 -1.08 -1.60 116.66 109.44 2kbg n ARG 40 Ca -0.19 -0.87 -0.36 0.00 -1.00 0.00 0.00 57.85 55.44 2kbg n ARG 40 Cb 0.58 0.77 -0.08 0.00 -1.05 0.00 0.00 32.46 32.68 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 -1.64 6.05 0.11 2.89 1.04 -1.24 -1.87 113.70 119.05 2kbg s SER 41 Ca 0.10 0.29 0.12 0.00 0.48 0.00 0.00 55.95 56.93 2kbg s SER 41 Cb 0.00 -1.98 0.57 0.00 0.10 0.00 0.00 66.02 64.71 2kbg s SER 41 CO 0.07 0.29 1.38 0.29 0.98 0.00 0.00 173.24 176.25 2kbg n LYS 42 N 2.75 0.06 -0.01 4.02 5.02 0.46 -1.68 118.16 128.78 2kbg n LYS 42 Ca -0.18 0.45 -0.15 0.00 -2.02 0.00 0.00 58.31 56.41 2kbg n LYS 42 Cb 0.53 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 2kbg n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kbg n ASP 43 N -1.78 1.50 -4.25 4.39 2.03 -1.26 -4.87 116.55 112.31 2kbg n ASP 43 Ca 0.01 0.31 -0.32 0.00 0.52 0.00 0.00 54.79 55.31 2kbg n ASP 43 Cb 0.09 -0.46 -0.16 0.00 -0.72 0.00 0.00 41.12 39.86 2kbg n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kbg s LYS 44 N -2.58 3.13 0.00 -0.67 -0.14 -0.68 -4.98 119.74 113.83 2kbg s LYS 44 Ca -0.14 -0.83 0.01 0.00 -1.36 0.00 0.00 55.97 53.65 2kbg s LYS 44 Cb 0.07 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.84 2kbg s LYS 44 CO 0.80 0.17 0.67 -1.91 -0.76 0.00 0.00 175.35 174.32 2kbg n GLU 45 N 3.57 0.27 0.00 1.68 2.13 -1.26 -3.60 120.64 123.44 2kbg n GLU 45 Ca -0.19 -0.85 0.09 0.00 0.66 0.00 0.00 57.16 56.88 2kbg n GLU 45 Cb 0.53 -1.02 0.50 0.00 0.27 0.00 0.00 31.44 31.72 2kbg n GLU 45 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2kbg n ASP 46 N -0.09 0.00 -3.67 4.31 5.75 -1.26 -4.78 116.55 116.81 2kbg n ASP 46 Ca 0.01 -0.21 -0.12 0.00 -0.01 0.00 0.00 54.79 54.45 2kbg n ASP 46 Cb 0.09 -0.18 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 2kbg n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kbg s GLN 47 N -2.36 0.93 -0.22 0.11 -2.07 -1.26 -5.14 119.66 109.66 2kbg s GLN 47 Ca 0.22 -0.46 -0.03 0.00 -1.82 0.00 0.00 55.36 53.27 2kbg s GLN 47 Cb 0.13 0.41 0.07 0.00 -1.09 0.00 0.00 33.01 32.53 2kbg s GLN 47 CO 0.26 -0.33 0.08 -1.58 -1.32 0.00 0.00 175.29 172.40 2kbg s TRP 48 N -2.77 0.73 0.77 9.60 0.52 -1.26 -4.75 118.94 121.79 2kbg s TRP 48 Ca -0.03 -0.81 -0.12 0.00 0.02 0.00 0.00 56.10 55.16 2kbg s TRP 48 Cb -0.00 -0.99 0.06 0.00 -1.15 0.00 0.00 33.47 31.39 2kbg s TRP 48 CO -0.04 -0.66 1.11 -0.51 0.02 0.00 0.00 176.95 176.87 2kbg s LEU 49 N 1.96 3.09 0.09 2.99 1.43 -0.63 -4.85 118.68 122.76 2kbg s LEU 49 Ca 0.03 1.94 0.09 0.00 -1.03 0.00 0.00 54.13 55.17 2kbg s LEU 49 Cb -0.17 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 2kbg s LEU 49 CO -0.16 -2.14 -0.24 -1.83 0.23 0.00 0.00 176.35 172.21 2kbg s GLU 50 N -4.66 1.37 -0.15 1.70 -1.05 -1.26 -2.14 118.70 112.52 2kbg s GLU 50 Ca 0.64 -1.18 -0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2kbg s GLU 50 Cb -0.19 -1.69 0.07 0.00 -0.44 0.00 0.00 34.13 31.88 2kbg s GLU 50 CO 0.53 0.41 0.18 0.21 0.95 0.00 0.00 175.26 177.53 2kbg s LYS 51 N -1.73 0.11 0.02 -4.83 2.47 0.56 -4.96 119.74 111.38 2kbg s LYS 51 Ca 0.10 0.30 -0.21 0.00 -1.56 0.00 0.00 55.97 54.60 2kbg s LYS 51 Cb -0.10 -0.95 -0.06 0.00 -1.46 0.00 0.00 37.83 35.27 2kbg s LYS 51 CO 0.04 -0.52 0.61 0.15 0.16 0.00 0.00 175.35 175.79 2kbg s LYS 52 N 2.28 4.31 0.12 4.03 -0.14 -1.26 0.43 119.74 129.52 2kbg s LYS 52 Ca 0.04 0.77 0.04 0.00 -1.36 0.00 0.00 55.97 55.46 2kbg s LYS 52 Cb -0.14 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2kbg s LYS 52 CO -0.09 0.42 -0.10 0.08 -0.76 0.00 0.00 175.35 174.90 2kbg s VAL 53 N -0.39 1.05 0.28 3.17 1.01 0.14 -4.96 120.40 120.70 2kbg s VAL 53 Ca 0.31 -1.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 2kbg s VAL 53 Cb -0.19 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 2kbg s VAL 53 CO 0.18 -0.70 0.83 -1.58 0.00 0.00 0.00 175.10 173.83 2kbg s GLN 54 N -3.44 4.39 0.53 2.72 2.00 -1.26 0.19 119.66 124.79 2kbg s GLN 54 Ca 0.12 1.07 0.28 0.00 -2.00 0.00 0.00 55.36 54.83 2kbg s GLN 54 Cb 0.01 -2.81 1.51 0.00 0.80 0.00 0.00 33.01 32.52 2kbg s GLN 54 CO -0.00 0.32 2.10 0.78 -0.50 0.00 0.00 175.29 177.99 2kbg h GLY 55 N 3.23 0.00 1.36 2.59 0.00 -1.75 -1.71 103.07 106.78 2kbg h GLY 55 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 2kbg h GLY 55 CO 0.65 0.00 -0.81 -0.57 0.00 0.00 0.00 176.54 175.81 2kbg h ASN 56 N 0.00 0.00 -0.38 0.19 -0.73 -1.88 -3.35 115.58 109.44 2kbg h ASN 56 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kbg h ASN 56 Cb 0.28 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 2kbg h ASN 56 CO 0.01 0.21 0.24 0.11 -0.37 0.00 0.00 177.43 177.63 2kbg h LYS 57 N 0.00 0.50 -6.10 6.67 1.57 -1.69 -3.45 116.57 114.07 2kbg h LYS 57 Ca -0.04 -0.04 -0.44 0.00 -1.87 0.00 0.00 60.65 58.26 2kbg h LYS 57 Cb 1.20 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.24 2kbg h LYS 57 CO 0.02 0.36 -0.65 -0.40 -0.57 0.00 0.00 179.45 178.21 2kbg n ASP 58 N -4.80 -3.13 -3.65 0.86 5.68 -1.24 -4.86 116.55 105.42 2kbg n ASP 58 Ca -0.00 -0.65 -0.02 0.00 -0.50 0.00 0.00 54.79 53.62 2kbg n ASP 58 Cb 0.04 -2.60 -0.03 0.00 -1.14 0.00 0.00 41.12 37.39 2kbg n ASP 58 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2kbg s HIS 59 N -3.02 -0.01 -0.01 2.11 -3.43 -1.26 -1.97 115.29 107.70 2kbg s HIS 59 Ca 0.55 0.01 -0.23 0.00 -0.80 0.00 0.00 55.06 54.59 2kbg s HIS 59 Cb -0.30 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.40 2kbg s HIS 59 CO 0.68 -0.02 0.51 0.96 -2.00 0.00 0.00 174.74 174.87 2kbg s ILE 60 N -1.68 0.03 -0.24 -5.38 -4.36 -1.20 -4.90 121.20 103.46 2kbg s ILE 60 Ca 0.11 -0.24 0.02 0.00 -0.26 0.00 0.00 60.65 60.29 2kbg s ILE 60 Cb -0.01 -0.86 0.05 0.00 1.25 0.00 0.00 42.46 42.89 2kbg s ILE 60 CO -0.04 -0.13 -0.13 -0.63 0.24 0.00 0.00 174.94 174.24 2kbg s ILE 61 N -1.55 2.13 -0.47 8.37 -1.09 -1.26 -2.67 121.20 124.66 2kbg s ILE 61 Ca -0.10 -1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 56.71 2kbg s ILE 61 Cb -0.02 -2.16 0.07 0.00 -1.58 0.00 0.00 42.46 38.77 2kbg s ILE 61 CO 0.05 0.12 0.40 -0.76 -1.23 0.00 0.00 174.94 173.53 2kbg s LEU 62 N 1.15 5.61 0.34 2.97 1.43 -1.25 -4.97 118.68 123.97 2kbg s LEU 62 Ca -0.05 -1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 51.62 2kbg s LEU 62 Cb -0.18 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 2kbg s LEU 62 CO -0.07 -0.66 0.69 -1.61 0.23 0.00 0.00 176.35 174.93 2kbg s GLU 63 N 1.67 3.82 -0.17 1.70 2.02 -1.26 -3.43 118.70 123.05 2kbg s GLU 63 Ca 0.04 0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 2kbg s GLU 63 Cb -0.24 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2kbg s GLU 63 CO 0.07 0.11 0.15 1.58 0.02 0.00 0.00 175.26 177.19 2kbg n HIS 64 N -0.80 -0.38 0.84 1.61 -0.00 -1.19 -4.98 115.22 110.32 2kbg n HIS 64 Ca 0.02 0.14 0.09 0.00 0.46 0.00 0.00 57.72 58.43 2kbg n HIS 64 Cb 0.53 -2.71 -0.01 0.00 -0.12 0.00 0.00 29.99 27.69 2kbg n HIS 64 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kbg n LEU 65 N -1.73 1.79 -1.27 0.27 4.77 -0.33 -5.06 117.00 115.45 2kbg n LEU 65 Ca -0.02 -0.76 0.13 0.00 -0.03 0.00 0.00 56.01 55.33 2kbg n LEU 65 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 2kbg n LEU 65 CO 0.09 0.34 -0.50 0.00 -1.33 0.00 0.00 177.39 175.99 2kbg n GLN 66 N -0.10 -2.67 0.00 3.23 6.02 -1.26 -4.47 117.38 118.13 2kbg n GLN 66 Ca 0.08 2.18 0.11 0.00 -0.01 0.00 0.00 57.00 59.36 2kbg n GLN 66 Cb 0.40 -3.20 -0.13 0.00 1.02 0.00 0.00 30.24 28.33 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 -3.99 0.05 -0.91 1.08 7.02 -1.26 -4.31 117.44 115.11 2kbg n TRP 67 Ca -0.07 0.02 0.08 0.00 -1.02 0.00 0.00 57.50 56.51 2kbg n TRP 67 Cb 0.53 -0.33 0.28 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.98 2.27 -3.87 -0.99 -2.24 -1.26 -3.55 114.28 102.65 2kbg n THR 68 Ca -0.01 -1.72 -0.12 0.00 -2.27 0.00 0.00 64.05 59.94 2kbg n THR 68 Cb 0.47 -0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.66 0.12 0.12 -0.78 -1.94 -1.26 -5.05 119.30 107.85 2kbg s MET 69 Ca 0.43 -0.05 0.02 0.00 -1.71 0.00 0.00 55.69 54.39 2kbg s MET 69 Cb 0.34 0.05 -0.04 0.00 2.01 0.00 0.00 34.83 37.19 2kbg s MET 69 CO 0.11 -0.02 0.24 0.20 -0.01 0.00 0.00 175.02 175.54 2kbg s GLY 70 N -0.26 1.85 -0.01 -0.03 0.00 -1.26 -3.34 107.32 104.27 2kbg s GLY 70 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2kbg s GLY 70 CO 0.00 -0.99 -0.01 -0.19 0.00 0.00 0.00 173.10 171.91 2kbg s TYR 71 N -1.66 0.14 0.42 1.90 1.51 -1.16 -0.40 117.35 118.09 2kbg s TYR 71 Ca 0.34 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 2kbg s TYR 71 Cb -0.12 -0.13 -0.01 0.00 -0.11 0.00 0.00 41.96 41.60 2kbg s TYR 71 CO 0.28 -0.02 0.62 -1.21 -1.11 0.00 0.00 175.55 174.10 2kbg s GLU 72 N 0.18 3.09 0.01 -0.62 2.02 -0.78 -3.75 118.70 118.85 2kbg s GLU 72 Ca -0.01 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2kbg s GLU 72 Cb -0.03 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 2kbg s GLU 72 CO -0.01 -0.18 -0.02 0.08 0.02 0.00 0.00 175.26 175.15 2kbg s VAL 73 N -2.45 0.11 -0.22 2.63 1.01 0.45 -2.62 120.40 119.30 2kbg s VAL 73 Ca 0.47 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2kbg s VAL 73 Cb -0.10 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2kbg s VAL 73 CO 0.36 -0.29 0.09 -1.58 0.00 0.00 0.00 175.10 173.67 2kbg s GLN 74 N -0.90 0.30 -0.07 2.72 0.74 0.21 -0.49 119.66 122.17 2kbg s GLN 74 Ca -0.09 -0.38 -0.15 0.00 0.05 0.00 0.00 55.36 54.78 2kbg s GLN 74 Cb -0.06 -1.74 -0.05 0.00 1.10 0.00 0.00 33.01 32.26 2kbg s GLN 74 CO -0.01 -0.79 0.39 0.42 -0.55 0.00 0.00 175.29 174.76 2kbg s ILE 75 N 2.01 5.15 -0.06 -2.34 1.09 0.12 -0.50 121.20 126.67 2kbg s ILE 75 Ca 0.04 0.78 -0.01 0.00 -1.10 0.00 0.00 60.65 60.35 2kbg s ILE 75 Cb -0.16 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.55 2kbg s ILE 75 CO -0.18 0.47 0.02 -0.89 -0.10 0.00 0.00 174.94 174.26 2kbg s THR 76 N -0.25 0.19 -0.18 2.92 2.01 0.04 0.37 115.64 120.74 2kbg s THR 76 Ca 0.22 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.27 2kbg s THR 76 Cb -0.15 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2kbg s THR 76 CO 0.10 0.22 0.51 0.00 -0.69 0.00 0.00 174.62 174.76 2kbg s ALA 77 N 1.98 3.53 -0.38 7.40 0.00 -1.22 0.03 121.76 133.10 2kbg s ALA 77 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 2kbg s ALA 77 Cb -0.12 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2kbg s ALA 77 CO -0.04 -0.36 0.24 0.00 0.00 0.00 0.00 175.76 175.60 2kbg s ALA 78 N 1.45 3.37 0.00 0.00 0.00 -0.46 -0.23 121.76 125.89 2kbg s ALA 78 Ca 0.24 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2kbg s ALA 78 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2kbg s ALA 78 CO 0.10 -1.35 0.00 0.27 0.00 0.00 0.00 175.76 174.77 2kbg n ASN 79 N 5.06 1.21 -0.10 0.00 6.94 -1.25 -1.23 115.26 125.90 2kbg n ASN 79 Ca -0.12 -0.33 0.18 0.00 -0.02 0.00 0.00 54.58 54.29 2kbg n ASN 79 Cb 0.47 0.00 0.60 0.00 -2.36 0.00 0.00 39.78 38.49 2kbg n ASN 79 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2kbg h ARG 80 N 0.00 0.21 -0.55 -3.83 3.08 -1.85 0.22 114.38 111.65 2kbg h ARG 80 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2kbg h ARG 80 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2kbg h ARG 80 CO 0.00 0.14 0.14 -0.07 -1.07 0.00 0.00 179.97 179.10 2kbg h LEU 81 N 0.21 0.84 0.00 3.04 4.07 -1.93 -3.47 115.31 118.07 2kbg h LEU 81 Ca 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2kbg h LEU 81 Cb 0.98 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2kbg h LEU 81 CO -0.06 0.85 0.00 0.61 -1.08 0.00 0.00 178.44 178.76 2kbg n GLY 82 N -0.63 3.69 3.42 0.83 0.00 0.76 -5.04 105.19 108.22 2kbg n GLY 82 Ca 0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.74 -0.13 1.61 1.51 -1.26 -3.92 117.35 114.42 2kbg s TYR 83 Ca 0.00 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.35 2kbg s TYR 83 Cb 0.00 0.36 0.08 0.00 -0.11 0.00 0.00 41.96 42.29 2kbg s TYR 83 CO 0.00 -0.38 0.75 0.45 -1.11 0.00 0.00 175.55 175.25 2kbg s SER 84 N 1.19 -0.63 -1.07 2.29 0.15 0.68 -4.90 113.70 111.42 2kbg s SER 84 Ca -0.07 0.85 -0.05 0.00 0.70 0.00 0.00 55.95 57.38 2kbg s SER 84 Cb -0.06 0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 64.93 2kbg s SER 84 CO -0.12 -0.47 0.93 1.21 1.20 0.00 0.00 173.24 175.99 2kbg n GLU 85 N 1.36 -3.04 -2.55 5.44 0.00 -1.26 -3.41 120.64 117.18 2kbg n GLU 85 Ca -0.16 0.86 -0.33 0.00 0.00 0.00 0.00 57.16 57.52 2kbg n GLU 85 Cb 0.57 -5.82 -0.04 0.00 0.00 0.00 0.00 31.44 26.15 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 -4.56 3.89 -0.12 5.31 0.04 -1.26 -4.39 135.00 133.91 2kbg s PRO 86 Ca 0.37 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 2kbg s PRO 86 Cb -0.05 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2kbg s PRO 86 CO 0.73 -0.34 -0.05 0.99 0.04 0.00 0.00 177.00 178.38 2kbg s THR 87 N -2.17 0.86 -0.77 1.26 2.01 0.16 -4.77 115.64 112.21 2kbg s THR 87 Ca 0.64 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2kbg s THR 87 Cb -0.13 -0.96 0.18 0.00 0.01 0.00 0.00 72.50 71.59 2kbg s THR 87 CO 0.21 0.27 0.77 0.68 -0.69 0.00 0.00 174.62 175.86 2kbg s VAL 88 N 1.77 5.34 0.18 3.82 -7.23 -1.26 0.10 120.40 123.13 2kbg s VAL 88 Ca 0.04 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2kbg s VAL 88 Cb -0.13 -4.49 -0.05 0.00 0.56 0.00 0.00 36.38 32.26 2kbg s VAL 88 CO -0.07 -1.08 0.42 -0.47 -0.31 0.00 0.00 175.10 173.58 2kbg s TYR 89 N 1.01 3.47 -0.19 2.82 5.04 0.36 -4.97 117.35 124.91 2kbg s TYR 89 Ca 0.17 0.54 -0.14 0.00 -2.44 0.00 0.00 57.07 55.20 2kbg s TYR 89 Cb -0.14 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.22 2kbg s TYR 89 CO -0.05 0.37 0.47 -1.83 -1.34 0.00 0.00 175.55 173.17 2kbg s GLU 90 N -2.95 0.51 -0.00 4.97 -1.05 -1.26 -0.41 118.70 118.50 2kbg s GLU 90 Ca 0.41 0.76 -0.28 0.00 -0.15 0.00 0.00 54.97 55.72 2kbg s GLU 90 Cb -0.12 0.15 0.10 0.00 -0.44 0.00 0.00 34.13 33.82 2kbg s GLU 90 CO 0.26 -0.11 0.82 -0.59 0.95 0.00 0.00 175.26 176.59 2kbg s PHE 91 N 0.81 -0.44 0.32 4.83 -0.71 -1.25 -5.03 117.98 116.52 2kbg s PHE 91 Ca -0.04 0.44 0.07 0.00 -1.04 0.00 0.00 56.93 56.36 2kbg s PHE 91 Cb -0.05 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 2kbg s PHE 91 CO -0.06 -0.58 0.26 -1.12 -1.34 0.00 0.00 175.22 172.37 2kbg s SER 92 N -2.12 5.29 0.14 1.98 0.01 -1.26 -3.01 113.70 114.72 2kbg s SER 92 Ca 0.01 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2kbg s SER 92 Cb -0.01 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 2kbg s SER 92 CO -0.05 -0.28 0.57 -0.04 0.41 0.00 0.00 173.24 173.84 2kbg s MET 93 N -3.95 4.04 0.79 12.44 1.00 -1.21 -4.92 119.30 127.49 2kbg s MET 93 Ca 0.39 0.57 -0.11 0.00 0.00 0.00 0.00 55.69 56.53 2kbg s MET 93 Cb -0.06 -2.98 0.06 0.00 0.00 0.00 0.00 34.83 31.85 2kbg s MET 93 CO 0.26 0.50 1.10 -1.25 0.00 0.00 0.00 175.02 175.63 2kbg s PRO 94 N -1.80 2.16 0.71 2.03 0.04 -1.26 -4.67 135.00 132.21 2kbg s PRO 94 Ca 0.37 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 2kbg s PRO 94 Cb -0.16 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2kbg s PRO 94 CO 0.19 -1.56 1.16 -1.25 0.04 0.00 0.00 177.00 175.58 2kbg s PRO 95 N -5.19 2.41 0.04 0.56 0.04 -1.23 -4.44 135.00 127.19 2kbg s PRO 95 Ca 0.60 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 2kbg s PRO 95 Cb -0.14 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2kbg s PRO 95 CO 0.54 -1.59 0.71 1.17 0.04 0.00 0.00 177.00 177.87 2kbg n LYS 96 N -2.66 0.00 -1.89 4.56 3.00 -1.26 -4.88 118.16 115.03 2kbg n LYS 96 Ca 0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.10 2kbg n LYS 96 Cb 0.51 -1.05 0.03 0.00 0.00 0.00 0.00 35.03 34.52 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 -0.20 3.07 0.00 1.64 0.04 -1.26 -4.94 135.00 133.35 2kbg s PRO 97 Ca 0.65 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2kbg s PRO 97 Cb -0.91 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2kbg s PRO 97 CO 0.44 -1.02 0.00 0.09 0.04 0.00 0.00 177.00 176.55 2kbg n ASN 98 N -2.27 0.00 -3.15 6.66 3.02 -1.26 -5.09 115.26 113.17 2kbg n ASN 98 Ca 0.09 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 2kbg n ASN 98 Cb 0.53 0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.88 2kbg n ASN 98 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kbg s ILE 99 N -1.81 -0.04 -0.06 2.41 2.07 -1.26 -5.18 121.20 117.32 2kbg s ILE 99 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 2kbg s ILE 99 Cb 0.00 -0.23 0.12 0.00 0.13 0.00 0.00 42.46 42.48 2kbg s ILE 99 CO 0.00 0.00 1.12 -0.51 -1.91 0.00 0.00 174.94 173.64 2kbg s ILE 100 N 2.99 0.00 0.22 2.00 2.07 -1.26 -5.15 121.20 122.08 2kbg s ILE 100 Ca 0.25 -0.14 -0.30 0.00 -1.41 0.00 0.00 60.65 59.05 2kbg s ILE 100 Cb -0.01 -1.35 -0.09 0.00 0.13 0.00 0.00 42.46 41.14 2kbg s ILE 100 CO -0.19 0.00 1.23 -0.75 -1.91 0.00 0.00 174.94 173.32 2kbg s LYS 101 N -2.70 4.46 0.00 3.50 2.20 -1.26 -5.19 119.74 120.75 2kbg s LYS 101 Ca 0.10 1.96 0.30 0.00 -0.36 0.00 0.00 55.97 57.97 2kbg s LYS 101 Cb 0.00 -3.20 1.47 0.00 -1.51 0.00 0.00 37.83 34.59 2kbg s LYS 101 CO -0.05 -0.11 1.98 -0.25 -0.36 0.00 0.00 175.35 176.57