#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 0.61 -0.66 5.56 1.02 -1.03 -5.00 120.64 121.15 2kbg n GLU 2 Ca 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 2kbg n GLU 2 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2kbg n GLU 2 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kbg n PRO 3 N 2.08 1.91 -3.62 3.49 -0.04 -1.26 -4.05 135.00 133.50 2kbg n PRO 3 Ca 0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2kbg n PRO 3 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.92 -0.12 1.00 3.54 1.04 -1.26 -4.98 113.70 111.99 2kbg s SER 4 Ca 0.00 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 2kbg s SER 4 Cb 0.00 0.22 -0.15 0.00 0.10 0.00 0.00 66.02 66.19 2kbg s SER 4 CO 0.00 -0.40 -0.89 -2.65 0.98 0.00 0.00 173.24 170.28 2kbg n PRO 5 N -0.35 0.00 -0.86 4.02 -0.02 -1.26 -4.85 135.00 131.67 2kbg n PRO 5 Ca -0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 2kbg n PRO 5 Cb 0.61 -1.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.12 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 -2.74 0.52 -0.02 -1.26 -4.99 135.00 129.00 2kbg n PRO 6 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 2kbg n PRO 6 Cb 0.58 -0.86 0.09 0.00 -0.02 0.00 0.00 33.50 33.29 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 3.03 -1.62 -3.93 2.55 7.64 -1.26 -5.07 113.62 114.95 2kbg n SER 7 Ca -0.02 -3.03 -0.21 0.00 1.01 0.00 0.00 58.87 56.63 2kbg n SER 7 Cb 0.61 1.15 -0.16 0.00 -1.01 0.00 0.00 64.21 64.80 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 -0.23 0.69 -0.20 0.44 -1.09 -1.26 -1.69 121.20 117.86 2kbg s ILE 8 Ca 0.24 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2kbg s ILE 8 Cb 0.36 -0.68 0.04 0.00 -1.58 0.00 0.00 42.46 40.60 2kbg s ILE 8 CO -0.06 0.26 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.52 2kbg s HIS 9 N 0.80 2.50 0.04 3.97 2.46 -1.09 -4.93 115.29 119.04 2kbg s HIS 9 Ca -0.12 -1.66 -0.19 0.00 0.47 0.00 0.00 55.06 53.56 2kbg s HIS 9 Cb -0.15 -1.67 -0.06 0.00 -0.13 0.00 0.00 32.58 30.57 2kbg s HIS 9 CO 0.01 -0.76 0.55 0.20 -2.47 0.00 0.00 174.74 172.27 2kbg s GLY 10 N 1.37 2.62 -0.08 1.59 0.00 -1.26 -0.99 107.32 110.57 2kbg s GLY 10 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 2kbg s GLY 10 CO -0.08 0.50 0.06 1.62 0.00 0.00 0.00 173.10 175.21 2kbg s GLN 11 N -0.81 0.04 -0.57 2.90 0.74 -0.01 -4.95 119.66 117.01 2kbg s GLN 11 Ca 0.29 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.60 2kbg s GLN 11 Cb -0.19 -0.96 -0.12 0.00 1.10 0.00 0.00 33.01 32.84 2kbg s GLN 11 CO 0.17 -0.43 2.41 -2.30 -0.55 0.00 0.00 175.29 174.60 2kbg n PRO 12 N 5.27 0.82 -2.21 1.67 -0.02 -1.26 -1.90 135.00 137.38 2kbg n PRO 12 Ca -0.05 0.11 -0.26 0.00 -2.02 0.00 0.00 63.50 61.28 2kbg n PRO 12 Cb 0.50 -2.63 0.09 0.00 -0.02 0.00 0.00 33.50 31.43 2kbg n PRO 12 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kbg s SER 13 N 9.74 4.52 -0.65 2.55 1.04 -0.53 -4.88 113.70 125.50 2kbg s SER 13 Ca 1.12 0.34 -0.38 0.00 0.48 0.00 0.00 55.95 57.50 2kbg s SER 13 Cb -0.67 -0.87 -0.19 0.00 0.10 0.00 0.00 66.02 64.39 2kbg s SER 13 CO 0.39 -1.79 2.33 -1.20 0.98 0.00 0.00 173.24 173.96 2kbg n SER 14 N -3.03 0.77 0.00 7.02 7.64 -1.26 -4.37 113.62 120.39 2kbg n SER 14 Ca 0.10 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kbg n SER 14 Cb 0.60 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 7.05 -0.80 0.23 0.23 0.00 -1.26 -4.32 105.19 106.32 2kbg n GLY 15 Ca 0.57 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 45.03 2kbg n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbg h LYS 16 N 0.00 0.00 -6.88 1.61 1.57 -1.87 -3.46 116.57 107.54 2kbg h LYS 16 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2kbg h LYS 16 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.42 2kbg h LYS 16 CO 0.00 0.00 0.75 0.45 -0.57 0.00 0.00 179.45 180.08 2kbg n SER 17 N -3.04 3.63 -4.31 0.86 2.88 -1.26 -4.38 113.62 108.00 2kbg n SER 17 Ca 0.03 1.21 -0.34 0.00 -1.33 0.00 0.00 58.87 58.44 2kbg n SER 17 Cb 0.46 -1.59 -0.14 0.00 -0.75 0.00 0.00 64.21 62.19 2kbg n SER 17 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kbg s PHE 18 N -0.91 2.92 -0.48 0.66 5.36 -1.15 -1.45 117.98 122.93 2kbg s PHE 18 Ca 0.56 -0.93 -0.25 0.00 -0.96 0.00 0.00 56.93 55.35 2kbg s PHE 18 Cb -0.50 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 2kbg s PHE 18 CO 0.61 -0.49 0.90 0.21 -1.46 0.00 0.00 175.22 174.99 2kbg s LYS 19 N 1.22 3.46 -0.45 10.12 2.20 -0.80 -3.21 119.74 132.28 2kbg s LYS 19 Ca 0.03 0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 2kbg s LYS 19 Cb -0.14 -3.96 0.07 0.00 -1.51 0.00 0.00 37.83 32.28 2kbg s LYS 19 CO -0.02 -1.27 0.34 -0.51 -0.36 0.00 0.00 175.35 173.53 2kbg s LEU 20 N 3.71 5.40 -0.23 5.43 1.43 -0.85 -0.83 118.68 132.73 2kbg s LEU 20 Ca 0.34 -1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 51.82 2kbg s LEU 20 Cb -0.11 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2kbg s LEU 20 CO 0.24 -0.59 1.14 -0.55 0.23 0.00 0.00 176.35 176.82 2kbg s SER 21 N 2.33 6.99 -0.41 2.29 0.15 -0.16 -2.82 113.70 122.07 2kbg s SER 21 Ca 0.04 1.42 -0.26 0.00 0.70 0.00 0.00 55.95 57.85 2kbg s SER 21 Cb -0.23 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.56 2kbg s SER 21 CO 0.05 -0.76 0.94 -0.63 1.20 0.00 0.00 173.24 174.04 2kbg s ILE 22 N 3.46 4.51 0.22 6.45 -1.09 -0.97 -2.65 121.20 131.13 2kbg s ILE 22 Ca 0.49 1.04 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 2kbg s ILE 22 Cb -0.17 -4.39 -0.09 0.00 -1.58 0.00 0.00 42.46 36.23 2kbg s ILE 22 CO 0.11 -0.68 0.96 -0.89 -1.23 0.00 0.00 174.94 173.22 2kbg s THR 23 N 3.65 4.08 -0.48 2.92 2.01 -0.68 -4.53 115.64 122.60 2kbg s THR 23 Ca 0.39 2.02 -0.27 0.00 0.31 0.00 0.00 61.69 64.13 2kbg s THR 23 Cb -0.11 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2kbg s THR 23 CO 0.22 0.45 1.78 -0.54 -0.69 0.00 0.00 174.62 175.84 2kbg s LYS 24 N -0.99 3.01 0.22 4.92 3.01 -1.26 -4.93 119.74 123.71 2kbg s LYS 24 Ca 0.43 0.95 0.05 0.00 -1.01 0.00 0.00 55.97 56.38 2kbg s LYS 24 Cb -0.26 -4.27 -0.03 0.00 -1.01 0.00 0.00 37.83 32.25 2kbg s LYS 24 CO 0.33 -2.26 0.33 -0.65 0.51 0.00 0.00 175.35 173.60 2kbg s GLN 25 N 6.26 3.39 -0.65 1.68 1.11 -1.26 -4.99 119.66 125.20 2kbg s GLN 25 Ca 0.71 -0.75 -0.26 0.00 0.01 0.00 0.00 55.36 55.07 2kbg s GLN 25 Cb -0.16 -2.87 -0.09 0.00 -1.01 0.00 0.00 33.01 28.87 2kbg s GLN 25 CO 0.27 0.45 2.32 -0.51 0.01 0.00 0.00 175.29 177.83 2kbg s ASP 26 N -3.80 4.35 1.03 5.90 1.01 -1.26 -4.89 116.67 119.01 2kbg s ASP 26 Ca 0.34 0.47 -0.24 0.00 0.71 0.00 0.00 52.55 53.83 2kbg s ASP 26 Cb -0.09 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 2kbg s ASP 26 CO 0.28 -3.21 -1.05 -0.67 0.21 0.00 0.00 175.17 170.73 2kbg n ASP 27 N 16.54 -3.10 -0.29 0.27 2.03 -1.26 -4.28 116.55 126.47 2kbg n ASP 27 Ca 0.39 -0.01 0.02 0.00 0.52 0.00 0.00 54.79 55.72 2kbg n ASP 27 Cb 0.49 -0.66 0.15 0.00 -0.72 0.00 0.00 41.12 40.39 2kbg n ASP 27 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kbg h GLY 28 N -1.29 1.25 0.00 0.27 0.00 -1.88 -3.39 103.07 98.03 2kbg h GLY 28 Ca -0.43 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2kbg h GLY 28 CO 0.26 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2kbg n GLY 29 N -1.32 0.00 3.50 4.60 0.00 -1.26 -2.46 105.19 108.25 2kbg n GLY 29 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.71 0.41 4.61 0.00 -1.26 -5.02 121.76 118.79 2kbg s ALA 30 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2kbg s ALA 30 Cb 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 2kbg s ALA 30 CO 0.00 -0.42 1.20 -2.30 0.00 0.00 0.00 175.76 174.24 2kbg n PRO 31 N 0.75 1.78 -3.01 0.00 -0.02 -1.26 -4.61 135.00 128.63 2kbg n PRO 31 Ca -0.19 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 2kbg n PRO 31 Cb 0.58 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 2kbg n PRO 31 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kbg s ILE 32 N -1.20 4.97 0.10 4.25 1.01 -1.26 -3.91 121.20 125.16 2kbg s ILE 32 Ca 0.61 1.43 -0.13 0.00 0.00 0.00 0.00 60.65 62.56 2kbg s ILE 32 Cb -0.53 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 37.77 2kbg s ILE 32 CO 0.58 0.11 1.35 -0.07 0.00 0.00 0.00 174.94 176.92 2kbg h LEU 33 N 7.89 0.90 -7.68 2.97 -0.00 -0.80 -3.39 115.31 115.20 2kbg h LEU 33 Ca -0.33 -0.57 0.07 0.00 -0.00 0.00 0.00 57.88 57.05 2kbg h LEU 33 Cb 1.15 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 41.47 2kbg h LEU 33 CO 0.79 1.31 0.28 -1.83 -0.00 0.00 0.00 178.44 178.99 2kbg s GLU 34 N -3.98 1.54 -0.22 1.13 -1.05 -1.21 -2.53 118.70 112.37 2kbg s GLU 34 Ca -0.11 -0.79 -0.04 0.00 -0.15 0.00 0.00 54.97 53.88 2kbg s GLU 34 Cb 0.09 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.33 2kbg s GLU 34 CO 0.88 -0.70 -0.04 0.71 0.95 0.00 0.00 175.26 177.06 2kbg s TYR 35 N -3.74 2.96 -0.38 4.83 1.51 0.24 -0.90 117.35 121.85 2kbg s TYR 35 Ca 0.09 -0.95 -0.20 0.00 -1.01 0.00 0.00 57.07 55.00 2kbg s TYR 35 Cb -0.04 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 2kbg s TYR 35 CO 0.01 -0.55 0.60 0.42 -1.11 0.00 0.00 175.55 174.91 2kbg s ILE 36 N 1.48 4.91 -0.14 2.71 1.01 0.14 -0.58 121.20 130.73 2kbg s ILE 36 Ca 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 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 -0.03 -0.38 -0.12 -0.69 0.00 0.00 0.00 174.94 173.72 2kbg s VAL 37 N 2.63 3.13 -0.05 2.92 1.01 0.21 -0.67 120.40 129.59 2kbg s VAL 37 Ca 0.22 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2kbg s VAL 37 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2kbg s VAL 37 CO 0.16 0.52 -0.14 -0.54 0.00 0.00 0.00 175.10 175.09 2kbg s LYS 38 N 0.42 1.63 0.04 2.72 1.02 -0.21 0.15 119.74 125.51 2kbg s LYS 38 Ca -0.09 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2kbg s LYS 38 Cb -0.16 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2kbg s LYS 38 CO 0.05 0.16 -0.04 1.52 -0.92 0.00 0.00 175.35 176.12 2kbg s TYR 39 N 0.25 0.44 0.28 3.18 1.13 -1.01 0.34 117.35 121.96 2kbg s TYR 39 Ca -0.07 -0.73 -0.04 0.00 -1.41 0.00 0.00 57.07 54.82 2kbg s TYR 39 Cb -0.12 -0.30 -0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2kbg s TYR 39 CO 0.02 -0.24 0.36 -0.98 -2.51 0.00 0.00 175.55 172.21 2kbg s ARG 40 N -2.46 1.61 0.10 -3.49 1.70 -0.90 -1.46 118.95 114.03 2kbg s ARG 40 Ca -0.06 -1.62 -0.25 0.00 -0.47 0.00 0.00 55.73 53.33 2kbg s ARG 40 Cb -0.03 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 2kbg s ARG 40 CO -0.04 -0.63 0.78 -1.12 -1.08 0.00 0.00 175.30 173.21 2kbg s SER 41 N -3.17 7.30 0.35 -2.89 0.01 -1.26 -1.17 113.70 112.86 2kbg s SER 41 Ca 0.32 1.55 0.03 0.00 1.31 0.00 0.00 55.95 59.16 2kbg s SER 41 Cb 0.02 -2.49 0.64 0.00 0.21 0.00 0.00 66.02 64.40 2kbg s SER 41 CO 0.16 0.09 1.95 0.11 0.41 0.00 0.00 173.24 175.96 2kbg h LYS 42 N 5.12 0.67 -0.45 12.44 1.57 -1.63 -1.93 116.57 132.37 2kbg h LYS 42 Ca -0.45 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.20 2kbg h LYS 42 Cb 1.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2kbg h LYS 42 CO 0.69 0.54 0.11 -0.44 -0.57 0.00 0.00 179.45 179.78 2kbg h ASP 43 N 0.67 0.61 -1.04 0.86 3.32 -1.93 -3.44 116.42 115.48 2kbg h ASP 43 Ca 0.17 -0.09 -0.48 0.00 0.02 0.00 0.00 57.03 56.64 2kbg h ASP 43 Cb 0.10 -0.16 0.04 0.00 0.22 0.00 0.00 39.33 39.53 2kbg h ASP 43 CO -0.02 0.61 -0.07 -0.54 -1.72 0.00 0.00 179.24 177.49 2kbg s LYS 44 N -5.18 2.23 0.00 3.56 -0.14 -0.72 -5.03 119.74 114.45 2kbg s LYS 44 Ca -0.09 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 52.98 2kbg s LYS 44 Cb 0.16 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.71 2kbg s LYS 44 CO 0.77 -0.93 0.00 -1.91 -0.76 0.00 0.00 175.35 172.52 2kbg n GLU 45 N -2.32 0.00 -0.20 1.68 2.13 -1.26 -4.72 120.64 115.95 2kbg n GLU 45 Ca 0.15 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.05 2kbg n GLU 45 Cb 0.61 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.54 2kbg n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kbg n ASP 46 N 0.00 2.26 -3.76 4.31 8.00 -1.26 -4.92 116.55 121.19 2kbg n ASP 46 Ca 0.00 -1.96 -0.13 0.00 0.71 0.00 0.00 54.79 53.41 2kbg n ASP 46 Cb 0.11 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 2kbg n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kbg s GLN 47 N -1.48 0.69 -0.19 -1.24 -2.07 -1.26 -5.14 119.66 108.97 2kbg s GLN 47 Ca 0.30 -0.22 -0.05 0.00 -1.82 0.00 0.00 55.36 53.57 2kbg s GLN 47 Cb 0.16 0.30 0.07 0.00 -1.09 0.00 0.00 33.01 32.45 2kbg s GLN 47 CO 0.21 -0.19 0.13 -1.58 -1.32 0.00 0.00 175.29 172.54 2kbg s TRP 48 N -1.44 0.07 0.73 9.60 0.52 -1.26 -4.70 118.94 122.46 2kbg s TRP 48 Ca -0.13 -0.22 -0.11 0.00 0.02 0.00 0.00 56.10 55.67 2kbg s TRP 48 Cb -0.05 -0.62 0.03 0.00 -1.15 0.00 0.00 33.47 31.68 2kbg s TRP 48 CO 0.04 -0.57 1.07 -0.51 0.02 0.00 0.00 176.95 177.00 2kbg s LEU 49 N 2.19 3.09 0.14 2.99 1.43 -0.54 -4.87 118.68 123.12 2kbg s LEU 49 Ca 0.04 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.96 2kbg s LEU 49 Cb -0.16 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 2kbg s LEU 49 CO -0.12 -1.71 -0.24 -1.83 0.23 0.00 0.00 176.35 172.68 2kbg s GLU 50 N -4.96 1.35 -0.25 1.70 -1.05 -1.26 -2.39 118.70 111.84 2kbg s GLU 50 Ca 0.60 -1.36 -0.05 0.00 -0.15 0.00 0.00 54.97 54.01 2kbg s GLU 50 Cb -0.15 -1.71 0.13 0.00 -0.44 0.00 0.00 34.13 31.96 2kbg s GLU 50 CO 0.55 0.39 0.47 0.21 0.95 0.00 0.00 175.26 177.83 2kbg s LYS 51 N -2.27 0.41 -0.01 -4.83 2.47 0.39 -4.95 119.74 110.95 2kbg s LYS 51 Ca 0.14 0.92 -0.10 0.00 -1.56 0.00 0.00 55.97 55.37 2kbg s LYS 51 Cb -0.09 0.17 -0.05 0.00 -1.46 0.00 0.00 37.83 36.40 2kbg s LYS 51 CO 0.07 -0.45 0.31 0.15 0.16 0.00 0.00 175.35 175.58 2kbg s LYS 52 N 2.68 3.68 -0.01 4.03 -0.14 -1.26 0.64 119.74 129.36 2kbg s LYS 52 Ca 0.07 0.10 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 2kbg s LYS 52 Cb -0.14 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2kbg s LYS 52 CO -0.16 0.68 -0.03 0.08 -0.76 0.00 0.00 175.35 175.15 2kbg s VAL 53 N -1.19 0.27 0.45 3.17 1.01 0.25 -4.96 120.40 119.40 2kbg s VAL 53 Ca 0.25 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2kbg s VAL 53 Cb -0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 2kbg s VAL 53 CO 0.13 0.09 1.43 1.67 0.00 0.00 0.00 175.10 178.42 2kbg n GLN 54 N 3.19 2.27 0.00 2.72 7.27 -1.26 0.80 117.38 132.37 2kbg n GLN 54 Ca -0.15 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.73 2kbg n GLN 54 Cb 0.57 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.60 2kbg n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kbg n GLY 55 N 0.58 0.09 0.00 1.69 0.00 -1.05 -1.31 105.19 105.19 2kbg n GLY 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.13 0.79 -0.08 1.61 5.03 -1.26 -4.80 115.26 116.41 2kbg n ASN 56 Ca 0.00 -1.39 -0.22 0.00 0.87 0.00 0.00 54.58 53.83 2kbg n ASN 56 Cb 0.06 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.70 2kbg n ASN 56 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2kbg n LYS 57 N -0.20 0.63 -3.95 3.52 5.02 -0.43 -4.98 118.16 117.78 2kbg n LYS 57 Ca 0.00 0.42 -0.32 0.00 -2.02 0.00 0.00 58.31 56.39 2kbg n LYS 57 Cb 0.40 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2kbg n LYS 57 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kbg n ASP 58 N -4.05 -3.99 -3.65 4.39 5.68 -1.26 -4.91 116.55 108.77 2kbg n ASP 58 Ca -0.36 -0.81 -0.02 0.00 -0.50 0.00 0.00 54.79 53.11 2kbg n ASP 58 Cb 0.84 -3.24 -0.04 0.00 -1.14 0.00 0.00 41.12 37.55 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 -3.22 -0.01 -0.07 2.11 -3.43 -1.26 -2.29 115.29 107.12 2kbg s HIS 59 Ca 0.66 0.02 -0.17 0.00 -0.80 0.00 0.00 55.06 54.77 2kbg s HIS 59 Cb -0.35 0.50 0.04 0.00 -1.43 0.00 0.00 32.58 31.34 2kbg s HIS 59 CO 0.81 -0.01 0.39 0.96 -2.00 0.00 0.00 174.74 174.89 2kbg s ILE 60 N -1.20 0.03 -0.28 -5.38 -4.36 -1.13 -4.91 121.20 103.97 2kbg s ILE 60 Ca 0.10 -0.25 -0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2kbg s ILE 60 Cb -0.01 -0.65 0.04 0.00 1.25 0.00 0.00 42.46 43.09 2kbg s ILE 60 CO -0.07 -0.14 -0.02 -0.63 0.24 0.00 0.00 174.94 174.32 2kbg s ILE 61 N -0.78 2.95 -0.44 8.37 -1.09 -1.26 -2.01 121.20 126.94 2kbg s ILE 61 Ca -0.09 -1.27 -0.15 0.00 -2.23 0.00 0.00 60.65 56.91 2kbg s ILE 61 Cb -0.04 -2.64 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2kbg s ILE 61 CO 0.04 -0.01 0.34 -0.76 -1.23 0.00 0.00 174.94 173.32 2kbg s LEU 62 N 1.28 5.35 0.45 2.97 1.43 -1.20 -4.96 118.68 124.01 2kbg s LEU 62 Ca -0.04 -1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 2kbg s LEU 62 Cb -0.19 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 2kbg s LEU 62 CO -0.02 -0.54 0.83 -1.61 0.23 0.00 0.00 176.35 175.24 2kbg s GLU 63 N 1.66 3.75 -0.07 1.70 2.02 -1.26 -2.92 118.70 123.57 2kbg s GLU 63 Ca 0.05 0.52 -0.00 0.00 0.02 0.00 0.00 54.97 55.56 2kbg s GLU 63 Cb -0.21 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.69 2kbg s GLU 63 CO 0.08 -0.15 0.06 1.58 0.02 0.00 0.00 175.26 176.86 2kbg n HIS 64 N -1.63 -0.14 -3.57 1.61 -0.00 -1.26 -4.97 115.22 105.26 2kbg n HIS 64 Ca 0.03 0.06 -0.40 0.00 0.46 0.00 0.00 57.72 57.87 2kbg n HIS 64 Cb 0.54 -2.29 -0.06 0.00 -0.12 0.00 0.00 29.99 28.06 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 -2.48 5.81 0.22 0.27 2.01 -1.26 -5.05 118.68 118.20 2kbg s LEU 65 Ca 0.01 -2.98 -0.31 0.00 0.01 0.00 0.00 54.13 50.85 2kbg s LEU 65 Cb -0.00 -1.99 -0.14 0.00 0.01 0.00 0.00 46.19 44.06 2kbg s LEU 65 CO 0.05 -0.40 1.21 0.00 1.01 0.00 0.00 176.35 178.22 2kbg n GLN 66 N 3.41 1.51 0.02 1.70 6.02 -1.26 -4.79 117.38 123.98 2kbg n GLN 66 Ca 0.13 0.54 -0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2kbg n GLN 66 Cb 0.41 -2.06 0.30 0.00 1.02 0.00 0.00 30.24 29.91 2kbg n GLN 66 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2kbg h TRP 67 N 3.30 0.50 -0.50 1.08 4.06 -1.92 -2.89 115.95 119.58 2kbg h TRP 67 Ca -0.43 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.43 2kbg h TRP 67 Cb 1.32 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 2kbg h TRP 67 CO 0.53 0.53 0.04 0.25 -3.56 0.00 0.00 178.44 176.23 2kbg n THR 68 N -4.26 2.32 -3.83 1.49 -2.24 -1.26 -3.77 114.28 102.73 2kbg n THR 68 Ca 0.01 -1.19 -0.12 0.00 -2.27 0.00 0.00 64.05 60.48 2kbg n THR 68 Cb 0.27 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.47 0.14 0.39 -0.78 -1.94 -1.09 -5.03 119.30 108.51 2kbg s MET 69 Ca 0.45 0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.61 2kbg s MET 69 Cb 0.35 0.07 -0.02 0.00 2.01 0.00 0.00 34.83 37.24 2kbg s MET 69 CO 0.13 -0.02 0.59 0.20 -0.01 0.00 0.00 175.02 175.91 2kbg s GLY 70 N 0.06 1.47 -0.07 -0.03 0.00 -1.26 -3.62 107.32 103.87 2kbg s GLY 70 Ca -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 2kbg s GLY 70 CO 0.00 -0.95 0.16 -0.19 0.00 0.00 0.00 173.10 172.13 2kbg s TYR 71 N -2.39 -0.19 0.16 1.90 1.51 -1.21 -1.53 117.35 115.59 2kbg s TYR 71 Ca 0.44 0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 56.93 2kbg s TYR 71 Cb -0.10 0.01 -0.06 0.00 -0.11 0.00 0.00 41.96 41.70 2kbg s TYR 71 CO 0.36 -0.13 0.41 -1.21 -1.11 0.00 0.00 175.55 173.87 2kbg s GLU 72 N 0.59 3.65 -0.04 -0.62 2.02 -0.32 -3.89 118.70 120.09 2kbg s GLU 72 Ca -0.04 -0.02 0.03 0.00 0.02 0.00 0.00 54.97 54.96 2kbg s GLU 72 Cb -0.06 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.36 2kbg s GLU 72 CO -0.03 0.44 -0.12 0.08 0.02 0.00 0.00 175.26 175.65 2kbg s VAL 73 N -1.68 1.08 -0.26 2.63 1.01 0.15 -2.13 120.40 121.21 2kbg s VAL 73 Ca 0.42 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2kbg s VAL 73 Cb -0.12 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.37 2kbg s VAL 73 CO 0.24 0.33 -0.06 -1.58 0.00 0.00 0.00 175.10 174.03 2kbg s GLN 74 N 0.34 1.79 -0.16 2.72 0.74 0.15 0.17 119.66 125.41 2kbg s GLN 74 Ca -0.08 -1.23 -0.13 0.00 0.05 0.00 0.00 55.36 53.98 2kbg s GLN 74 Cb -0.12 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 2kbg s GLN 74 CO 0.02 -0.64 0.26 0.42 -0.55 0.00 0.00 175.29 174.80 2kbg s ILE 75 N 1.24 5.32 -0.08 -2.34 1.09 0.95 -1.05 121.20 126.34 2kbg s ILE 75 Ca -0.04 0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.98 2kbg s ILE 75 Cb -0.19 -3.60 0.03 0.00 -1.06 0.00 0.00 42.46 37.64 2kbg s ILE 75 CO -0.07 0.42 0.00 -0.89 -0.10 0.00 0.00 174.94 174.31 2kbg s THR 76 N 0.28 0.38 -0.15 2.92 2.01 0.16 0.64 115.64 121.88 2kbg s THR 76 Ca 0.15 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 2kbg s THR 76 Cb -0.13 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2kbg s THR 76 CO 0.03 0.24 0.62 0.00 -0.69 0.00 0.00 174.62 174.82 2kbg s ALA 77 N 1.97 3.48 -0.30 7.40 0.00 -1.19 0.23 121.76 133.35 2kbg s ALA 77 Ca 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 2kbg s ALA 77 Cb -0.12 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kbg s ALA 77 CO -0.05 -0.35 0.13 0.00 0.00 0.00 0.00 175.76 175.49 2kbg s ALA 78 N 1.41 3.24 0.00 0.00 0.00 -0.08 -0.43 121.76 125.89 2kbg s ALA 78 Ca 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2kbg s ALA 78 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2kbg s ALA 78 CO 0.12 -0.85 0.00 0.27 0.00 0.00 0.00 175.76 175.30 2kbg n ASN 79 N 4.96 1.59 -0.17 0.00 6.94 -1.25 -0.05 115.26 127.27 2kbg n ASN 79 Ca -0.14 -0.66 0.25 0.00 -0.02 0.00 0.00 54.58 54.01 2kbg n ASN 79 Cb 0.49 0.00 0.66 0.00 -2.36 0.00 0.00 39.78 38.57 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 0.12 -0.56 -3.83 3.08 -1.82 0.62 114.38 111.99 2kbg h ARG 80 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2kbg h ARG 80 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2kbg h ARG 80 CO 0.00 0.08 0.17 -0.07 -1.07 0.00 0.00 179.97 179.08 2kbg h LEU 81 N 0.12 0.82 0.00 3.04 -0.00 -1.93 -3.47 115.31 113.89 2kbg h LEU 81 Ca 0.42 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2kbg h LEU 81 Cb 1.46 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2kbg h LEU 81 CO -0.06 0.81 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 2kbg n GLY 82 N -0.70 3.59 3.39 0.83 0.00 0.22 -5.05 105.19 107.46 2kbg n GLY 82 Ca 0.03 -0.97 -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 -0.53 -0.03 1.61 1.51 -1.26 -3.91 117.35 114.74 2kbg s TYR 83 Ca 0.00 1.27 -0.29 0.00 -1.01 0.00 0.00 57.07 57.04 2kbg s TYR 83 Cb 0.00 0.19 0.09 0.00 -0.11 0.00 0.00 41.96 42.13 2kbg s TYR 83 CO 0.00 -0.27 0.79 0.45 -1.11 0.00 0.00 175.55 175.41 2kbg s SER 84 N 0.16 -0.51 -1.18 2.29 0.15 0.43 -4.86 113.70 110.17 2kbg s SER 84 Ca -0.01 0.36 -0.29 0.00 0.70 0.00 0.00 55.95 56.71 2kbg s SER 84 Cb -0.03 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2kbg s SER 84 CO 0.01 -0.61 0.73 1.21 1.20 0.00 0.00 173.24 175.78 2kbg n GLU 85 N 0.39 -0.64 -2.28 5.44 0.00 -1.26 -3.20 120.64 119.10 2kbg n GLU 85 Ca -0.14 0.24 -0.33 0.00 0.00 0.00 0.00 57.16 56.92 2kbg n GLU 85 Cb 0.60 -3.16 -0.01 0.00 0.00 0.00 0.00 31.44 28.86 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 -6.82 3.54 -0.12 5.31 0.04 -1.26 -4.49 135.00 131.20 2kbg s PRO 86 Ca 0.48 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2kbg s PRO 86 Cb -0.23 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2kbg s PRO 86 CO 0.93 -0.64 -0.05 0.99 0.04 0.00 0.00 177.00 178.28 2kbg s THR 87 N -2.22 0.85 -0.75 1.26 2.01 0.21 -4.86 115.64 112.15 2kbg s THR 87 Ca 0.66 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 2kbg s THR 87 Cb -0.16 -0.97 0.15 0.00 0.01 0.00 0.00 72.50 71.53 2kbg s THR 87 CO 0.29 0.26 0.81 -0.69 -0.69 0.00 0.00 174.62 174.60 2kbg s VAL 88 N 1.77 5.10 -0.21 3.82 1.01 -1.26 -0.03 120.40 130.59 2kbg s VAL 88 Ca 0.04 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 2kbg s VAL 88 Cb -0.13 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 2kbg s VAL 88 CO -0.07 -1.17 0.19 -0.47 0.00 0.00 0.00 175.10 173.58 2kbg s TYR 89 N 1.74 3.37 -0.04 5.22 5.04 0.13 -4.98 117.35 127.82 2kbg s TYR 89 Ca 0.18 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 2kbg s TYR 89 Cb -0.15 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.89 2kbg s TYR 89 CO -0.03 0.15 -0.10 -1.83 -1.34 0.00 0.00 175.55 172.39 2kbg s GLU 90 N 0.80 1.29 -0.28 4.97 -1.05 -1.26 0.34 118.70 123.51 2kbg s GLU 90 Ca 0.10 -0.35 -0.25 0.00 -0.15 0.00 0.00 54.97 54.32 2kbg s GLU 90 Cb -0.13 -1.14 0.11 0.00 -0.44 0.00 0.00 34.13 32.54 2kbg s GLU 90 CO 0.03 0.07 0.97 -0.59 0.95 0.00 0.00 175.26 176.69 2kbg s PHE 91 N 0.43 -0.53 0.40 4.83 -0.71 -1.25 -5.04 117.98 116.11 2kbg s PHE 91 Ca -0.08 1.30 -0.07 0.00 -1.04 0.00 0.00 56.93 57.03 2kbg s PHE 91 Cb -0.12 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 2kbg s PHE 91 CO 0.02 -0.26 0.73 -1.54 -1.34 0.00 0.00 175.22 172.83 2kbg s SER 92 N 0.25 6.42 0.27 1.98 1.04 -1.26 -3.34 113.70 119.06 2kbg s SER 92 Ca 0.03 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.26 2kbg s SER 92 Cb -0.05 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.73 2kbg s SER 92 CO -0.05 -0.41 0.73 -0.04 0.98 0.00 0.00 173.24 174.44 2kbg s MET 93 N -4.08 4.11 0.73 4.02 -1.94 -1.24 -4.94 119.30 115.97 2kbg s MET 93 Ca 0.48 0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 55.10 2kbg s MET 93 Cb -0.10 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2kbg s MET 93 CO 0.35 0.27 1.08 -1.25 -0.01 0.00 0.00 175.02 175.46 2kbg s PRO 94 N -2.50 2.65 0.81 2.03 0.04 -1.25 -4.64 135.00 132.14 2kbg s PRO 94 Ca 0.49 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2kbg s PRO 94 Cb -0.13 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2kbg s PRO 94 CO 0.19 -1.24 1.13 -1.25 0.04 0.00 0.00 177.00 175.87 2kbg s PRO 95 N -5.16 1.80 -0.00 0.56 0.04 -1.25 -4.37 135.00 126.61 2kbg s PRO 95 Ca 0.59 1.42 -0.36 0.00 0.04 0.00 0.00 61.00 62.69 2kbg s PRO 95 Cb -0.13 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 2kbg s PRO 95 CO 0.54 -2.03 0.96 1.17 0.04 0.00 0.00 177.00 177.69 2kbg n LYS 96 N -3.59 0.00 -2.08 4.56 3.00 -1.26 -4.84 118.16 113.94 2kbg n LYS 96 Ca 0.11 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.03 2kbg n LYS 96 Cb 0.52 -1.34 -0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 0.03 3.89 -0.30 1.64 0.04 -1.26 -5.02 135.00 134.02 2kbg s PRO 97 Ca 0.82 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.94 2kbg s PRO 97 Cb -1.14 -2.67 0.14 0.00 0.04 0.00 0.00 34.50 30.87 2kbg s PRO 97 CO 0.51 -0.53 0.33 -0.80 0.04 0.00 0.00 177.00 176.56 2kbg s ASN 98 N -0.87 1.26 -0.04 6.66 0.01 -1.26 -4.90 114.94 115.81 2kbg s ASN 98 Ca 0.59 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 2kbg s ASN 98 Cb -0.36 0.69 0.00 0.00 0.41 0.00 0.00 41.25 41.99 2kbg s ASN 98 CO 0.46 -0.37 0.00 2.30 -1.51 0.00 0.00 177.10 177.98 2kbg n ILE 99 N 5.25 0.00 -3.72 0.60 -5.35 -1.26 -4.83 119.36 110.05 2kbg n ILE 99 Ca -0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.12 2kbg n ILE 99 Cb 0.47 -0.04 -0.08 0.00 -1.74 0.00 0.00 39.64 38.24 2kbg n ILE 99 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kbg s ILE 100 N -0.72 5.38 0.31 7.28 -1.16 -1.26 -5.06 121.20 125.97 2kbg s ILE 100 Ca 0.00 0.18 -0.29 0.00 -0.51 0.00 0.00 60.65 60.03 2kbg s ILE 100 Cb 0.00 -3.47 -0.11 0.00 0.61 0.00 0.00 42.46 39.49 2kbg s ILE 100 CO 0.00 0.42 1.52 -0.75 -2.81 0.00 0.00 174.94 173.31 2kbg s LYS 101 N 0.54 4.16 0.00 3.50 2.20 -1.26 -5.03 119.74 123.85 2kbg s LYS 101 Ca 0.08 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 2kbg s LYS 101 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2kbg s LYS 101 CO -0.00 -0.54 0.00 -0.40 -0.36 0.00 0.00 175.35 174.05