#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 -0.43 -0.14 1.02 -1.16 -4.32 120.64 115.60 2kbg n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kbg n GLU 2 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 2.43 2.26 -3.54 3.49 -0.04 -1.26 -4.28 135.00 134.06 2kbg n PRO 3 Ca 0.27 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 2kbg n PRO 3 Cb 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 2kbg n PRO 3 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kbg s SER 4 N -0.92 -0.36 0.90 3.54 0.15 -1.26 -4.80 113.70 110.96 2kbg s SER 4 Ca 0.00 0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 2kbg s SER 4 Cb 0.00 0.33 -0.18 0.00 -1.71 0.00 0.00 66.02 64.47 2kbg s SER 4 CO 0.00 -0.47 -1.38 -2.65 1.20 0.00 0.00 173.24 169.94 2kbg n PRO 5 N 0.23 0.00 -1.48 5.44 -0.02 -1.26 -4.83 135.00 133.08 2kbg n PRO 5 Ca -0.09 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.02 2kbg n PRO 5 Cb 0.60 -0.92 0.06 0.00 -0.02 0.00 0.00 33.50 33.21 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 2.29 0.63 -1.36 0.52 -0.02 -1.26 -4.95 135.00 130.85 2kbg n PRO 6 Ca -0.02 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 2kbg n PRO 6 Cb 0.67 -2.05 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 2kbg n PRO 6 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kbg n SER 7 N -0.71 1.17 -4.49 2.55 2.88 -1.26 -5.06 113.62 108.71 2kbg n SER 7 Ca 0.13 -2.38 -0.37 0.00 -1.33 0.00 0.00 58.87 54.92 2kbg n SER 7 Cb 0.48 -0.35 -0.12 0.00 -0.75 0.00 0.00 64.21 63.47 2kbg n SER 7 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kbg s ILE 8 N -0.74 4.60 -0.24 2.46 -1.09 -1.26 -1.09 121.20 123.85 2kbg s ILE 8 Ca 0.35 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 2kbg s ILE 8 Cb 0.38 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 2kbg s ILE 8 CO -0.15 0.31 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.80 2kbg s HIS 9 N 1.65 3.02 0.26 3.97 3.76 -1.05 -4.91 115.29 121.99 2kbg s HIS 9 Ca 0.07 -1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 53.44 2kbg s HIS 9 Cb -0.15 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 2kbg s HIS 9 CO 0.06 -0.73 0.46 0.20 -0.85 0.00 0.00 174.74 173.88 2kbg s GLY 10 N 1.33 1.65 -0.25 -2.22 0.00 -1.26 -0.39 107.32 106.19 2kbg s GLY 10 Ca 0.01 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 2kbg s GLY 10 CO -0.06 -0.77 0.62 1.62 0.00 0.00 0.00 173.10 174.52 2kbg s GLN 11 N -3.66 0.66 -1.13 2.90 0.74 -1.05 -4.93 119.66 113.19 2kbg s GLN 11 Ca 0.40 1.03 -0.23 0.00 0.05 0.00 0.00 55.36 56.61 2kbg s GLN 11 Cb -0.10 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.14 2kbg s GLN 11 CO 0.31 -0.13 1.90 -1.25 -0.55 0.00 0.00 175.29 175.56 2kbg s PRO 12 N 1.15 2.71 0.51 1.67 0.04 -1.26 -0.72 135.00 139.10 2kbg s PRO 12 Ca -0.07 -1.07 -0.08 0.00 0.04 0.00 0.00 61.00 59.83 2kbg s PRO 12 Cb -0.05 -5.24 0.13 0.00 0.04 0.00 0.00 34.50 29.37 2kbg s PRO 12 CO -0.12 -3.60 0.29 0.45 0.04 0.00 0.00 177.00 174.07 2kbg n SER 13 N 13.43 -2.64 -4.68 6.66 2.88 -0.61 -4.76 113.62 123.90 2kbg n SER 13 Ca 0.44 -0.29 -0.46 0.00 -1.33 0.00 0.00 58.87 57.22 2kbg n SER 13 Cb 0.47 -0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 2kbg n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kbg n SER 14 N -3.63 3.58 0.00 -3.46 3.41 -1.26 -4.55 113.62 107.72 2kbg n SER 14 Ca 0.05 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2kbg n SER 14 Cb 0.20 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 2kbg n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kbg n GLY 15 N 4.25 -0.84 0.00 5.00 0.00 -1.26 -3.85 105.19 108.48 2kbg n GLY 15 Ca 0.21 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 0.08 -2.00 1.61 5.02 -1.26 -4.85 118.16 116.76 2kbg n LYS 16 Ca 0.00 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 2kbg n LYS 16 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2kbg n LYS 16 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2kbg s SER 17 N -2.91 6.11 -0.12 4.39 1.04 -1.25 -4.33 113.70 116.62 2kbg s SER 17 Ca 0.15 2.68 0.03 0.00 0.48 0.00 0.00 55.95 59.29 2kbg s SER 17 Cb 0.17 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2kbg s SER 17 CO 0.47 -0.99 -0.21 0.12 0.98 0.00 0.00 173.24 173.60 2kbg s PHE 18 N -1.28 2.52 -0.71 5.02 5.36 -1.23 -1.57 117.98 126.09 2kbg s PHE 18 Ca 0.60 -1.20 -0.22 0.00 -0.96 0.00 0.00 56.93 55.14 2kbg s PHE 18 Cb -0.38 -1.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.65 2kbg s PHE 18 CO 0.49 -0.54 1.01 0.21 -1.46 0.00 0.00 175.22 174.92 2kbg s LYS 19 N 0.72 3.19 -0.61 10.12 2.20 0.10 -3.59 119.74 131.88 2kbg s LYS 19 Ca -0.10 -0.95 -0.19 0.00 -0.36 0.00 0.00 55.97 54.37 2kbg s LYS 19 Cb -0.16 -4.35 0.10 0.00 -1.51 0.00 0.00 37.83 31.91 2kbg s LYS 19 CO 0.01 -1.83 0.75 -0.51 -0.36 0.00 0.00 175.35 173.41 2kbg s LEU 20 N 3.95 5.25 -0.17 5.43 1.43 -1.12 -2.52 118.68 130.93 2kbg s LEU 20 Ca 0.24 -1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 51.67 2kbg s LEU 20 Cb -0.15 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2kbg s LEU 20 CO 0.07 -1.16 1.33 -0.55 0.23 0.00 0.00 176.35 176.27 2kbg s SER 21 N 3.63 6.85 -0.49 2.29 0.15 0.48 -3.30 113.70 123.31 2kbg s SER 21 Ca 0.13 1.71 -0.25 0.00 0.70 0.00 0.00 55.95 58.24 2kbg s SER 21 Cb -0.23 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2kbg s SER 21 CO 0.07 -0.84 0.96 -0.63 1.20 0.00 0.00 173.24 173.99 2kbg s ILE 22 N 3.74 4.41 -0.09 6.45 -1.09 -0.81 -2.53 121.20 131.28 2kbg s ILE 22 Ca 0.58 0.65 -0.22 0.00 -2.23 0.00 0.00 60.65 59.43 2kbg s ILE 22 Cb -0.23 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 2kbg s ILE 22 CO 0.18 -0.95 0.66 -0.89 -1.23 0.00 0.00 174.94 172.71 2kbg s THR 23 N 3.91 5.06 -0.63 2.92 2.01 -0.25 -4.47 115.64 124.19 2kbg s THR 23 Ca 0.36 1.35 -0.36 0.00 0.31 0.00 0.00 61.69 63.35 2kbg s THR 23 Cb -0.10 -4.00 -0.17 0.00 0.01 0.00 0.00 72.50 68.24 2kbg s THR 23 CO 0.25 0.24 2.37 0.29 -0.69 0.00 0.00 174.62 177.07 2kbg n LYS 24 N 3.95 0.36 -3.24 4.92 5.02 -1.26 -4.81 118.16 123.10 2kbg n LYS 24 Ca -0.02 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2kbg n LYS 24 Cb 0.51 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 2kbg n LYS 24 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kbg s GLN 25 N 7.27 3.71 -0.46 1.97 -0.21 -1.26 -4.96 119.66 125.73 2kbg s GLN 25 Ca 1.21 0.19 -0.27 0.00 0.02 0.00 0.00 55.36 56.50 2kbg s GLN 25 Cb -1.13 -2.58 -0.08 0.00 1.00 0.00 0.00 33.01 30.21 2kbg s GLN 25 CO 0.52 0.18 2.38 -0.25 -2.12 0.00 0.00 175.29 176.00 2kbg n ASP 26 N -0.83 2.37 -4.70 5.90 9.92 -1.26 -4.86 116.55 123.09 2kbg n ASP 26 Ca -0.00 -0.24 -0.39 0.00 -0.53 0.00 0.00 54.79 53.63 2kbg n ASP 26 Cb 0.54 -1.51 0.03 0.00 -0.64 0.00 0.00 41.12 39.54 2kbg n ASP 26 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kbg n ASP 27 N 14.18 2.23 -0.30 -2.24 5.75 -1.26 -4.01 116.55 130.90 2kbg n ASP 27 Ca 0.38 1.00 0.10 0.00 -0.01 0.00 0.00 54.79 56.26 2kbg n ASP 27 Cb 0.46 -1.51 0.23 0.00 -1.03 0.00 0.00 41.12 39.28 2kbg n ASP 27 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2kbg h GLY 28 N 1.51 1.09 0.00 6.12 0.00 -1.75 -3.41 103.07 106.63 2kbg h GLY 28 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2kbg h GLY 28 CO 0.57 -0.40 0.00 0.61 0.00 0.00 0.00 176.54 177.32 2kbg n GLY 29 N -1.45 0.00 3.43 4.60 0.00 -1.26 -0.15 105.19 110.36 2kbg n GLY 29 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.54 0.46 4.61 0.00 -1.26 -5.03 121.76 119.00 2kbg s ALA 30 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2kbg s ALA 30 Cb 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.60 2kbg s ALA 30 CO 0.00 -0.61 1.31 -1.25 0.00 0.00 0.00 175.76 175.22 2kbg s PRO 31 N -2.85 3.69 -0.20 0.00 0.04 -1.26 -4.72 135.00 129.70 2kbg s PRO 31 Ca -0.03 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2kbg s PRO 31 Cb -0.01 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 2kbg s PRO 31 CO -0.05 -0.72 0.51 0.42 0.04 0.00 0.00 177.00 177.20 2kbg s ILE 32 N -1.31 5.11 0.10 0.56 1.01 -1.26 -3.91 121.20 121.50 2kbg s ILE 32 Ca 0.62 0.94 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 2kbg s ILE 32 Cb -0.38 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 2kbg s ILE 32 CO 0.47 0.18 1.36 -0.07 0.00 0.00 0.00 174.94 176.89 2kbg h LEU 33 N 7.90 0.88 -8.12 2.97 3.38 -1.24 -3.39 115.31 117.69 2kbg h LEU 33 Ca -0.34 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.06 2kbg h LEU 33 Cb 1.16 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2kbg h LEU 33 CO 0.74 1.28 0.09 -1.83 0.09 0.00 0.00 178.44 178.80 2kbg s GLU 34 N -4.03 1.78 -0.22 1.13 -1.05 -1.23 -2.96 118.70 112.13 2kbg s GLU 34 Ca -0.11 -1.20 0.02 0.00 -0.15 0.00 0.00 54.97 53.53 2kbg s GLU 34 Cb 0.09 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.37 2kbg s GLU 34 CO 0.87 -0.79 -0.14 0.71 0.95 0.00 0.00 175.26 176.86 2kbg s TYR 35 N -3.66 2.95 -0.34 4.83 1.51 0.13 -1.12 117.35 121.64 2kbg s TYR 35 Ca 0.17 -1.96 -0.21 0.00 -1.01 0.00 0.00 57.07 54.05 2kbg s TYR 35 Cb -0.04 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2kbg s TYR 35 CO 0.09 -0.83 0.69 0.42 -1.11 0.00 0.00 175.55 174.81 2kbg s ILE 36 N 1.22 4.85 -0.15 2.71 1.01 0.11 -0.15 121.20 130.80 2kbg s ILE 36 Ca -0.03 0.77 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 2kbg s ILE 36 Cb -0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2kbg s ILE 36 CO -0.08 -0.30 -0.08 -0.69 0.00 0.00 0.00 174.94 173.78 2kbg s VAL 37 N 2.81 3.41 -0.10 2.92 1.01 0.14 -0.46 120.40 130.13 2kbg s VAL 37 Ca 0.27 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2kbg s VAL 37 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2kbg s VAL 37 CO 0.14 0.50 -0.17 -0.54 0.00 0.00 0.00 175.10 175.03 2kbg s LYS 38 N 0.51 2.37 0.07 2.72 1.02 0.10 0.17 119.74 126.70 2kbg s LYS 38 Ca -0.06 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.32 2kbg s LYS 38 Cb -0.15 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 2kbg s LYS 38 CO 0.03 0.04 -0.08 1.52 -0.92 0.00 0.00 175.35 175.94 2kbg s TYR 39 N 0.69 0.81 0.25 3.18 1.13 -0.99 0.15 117.35 122.57 2kbg s TYR 39 Ca -0.13 -0.65 -0.07 0.00 -1.41 0.00 0.00 57.07 54.82 2kbg s TYR 39 Cb -0.16 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.21 2kbg s TYR 39 CO 0.03 -0.09 0.37 -0.98 -2.51 0.00 0.00 175.55 172.37 2kbg s ARG 40 N -2.43 1.51 0.16 -3.49 1.70 -0.95 -1.71 118.95 113.74 2kbg s ARG 40 Ca -0.01 -1.48 -0.28 0.00 -0.47 0.00 0.00 55.73 53.49 2kbg s ARG 40 Cb -0.04 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 2kbg s ARG 40 CO -0.01 -0.59 0.89 -1.12 -1.08 0.00 0.00 175.30 173.39 2kbg s SER 41 N -3.11 7.50 0.47 -2.89 0.01 -1.26 -1.04 113.70 113.37 2kbg s SER 41 Ca 0.29 1.78 0.17 0.00 1.31 0.00 0.00 55.95 59.50 2kbg s SER 41 Cb 0.02 -2.56 1.11 0.00 0.21 0.00 0.00 66.02 64.80 2kbg s SER 41 CO 0.12 0.09 2.02 0.11 0.41 0.00 0.00 173.24 176.00 2kbg h LYS 42 N 4.78 0.00 -0.09 12.44 1.57 -1.83 -2.17 116.57 131.27 2kbg h LYS 42 Ca -0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 2kbg h LYS 42 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2kbg h LYS 42 CO 0.69 0.15 -0.11 0.22 -0.57 0.00 0.00 179.45 179.84 2kbg h ASP 43 N 0.00 0.12 -1.39 0.86 3.58 -1.92 -3.44 116.42 114.22 2kbg h ASP 43 Ca -0.00 -0.02 -0.64 0.00 0.42 0.00 0.00 57.03 56.79 2kbg h ASP 43 Cb 0.29 -0.03 -0.13 0.00 1.72 0.00 0.00 39.33 41.18 2kbg h ASP 43 CO 0.02 0.24 -0.58 -0.54 -2.88 0.00 0.00 179.24 175.50 2kbg s LYS 44 N -4.79 2.01 0.00 0.28 1.02 -0.82 -5.04 119.74 112.41 2kbg s LYS 44 Ca -0.05 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 53.78 2kbg s LYS 44 Cb 0.16 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 2kbg s LYS 44 CO 0.71 -0.12 0.09 0.39 -0.92 0.00 0.00 175.35 175.50 2kbg n GLU 45 N -1.04 0.00 0.00 1.68 1.02 -1.26 -4.57 120.64 116.47 2kbg n GLU 45 Ca -0.08 -0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.11 2kbg n GLU 45 Cb 0.67 -0.19 0.47 0.00 -0.02 0.00 0.00 31.44 32.36 2kbg n GLU 45 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kbg n ASP 46 N 0.00 1.44 -3.85 1.62 2.03 -1.26 -4.86 116.55 111.67 2kbg n ASP 46 Ca 0.00 -1.36 -0.12 0.00 0.52 0.00 0.00 54.79 53.82 2kbg n ASP 46 Cb 0.37 0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.67 2kbg n ASP 46 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kbg s GLN 47 N -2.13 0.02 -0.21 -0.67 -1.52 -1.26 -5.13 119.66 108.76 2kbg s GLN 47 Ca 0.34 0.06 -0.03 0.00 -1.95 0.00 0.00 55.36 53.78 2kbg s GLN 47 Cb 0.20 -0.03 0.07 0.00 -0.22 0.00 0.00 33.01 33.03 2kbg s GLN 47 CO 0.38 -0.03 0.05 -1.58 -0.25 0.00 0.00 175.29 173.86 2kbg s TRP 48 N 0.18 1.05 0.73 0.91 0.52 -1.26 -4.70 118.94 116.37 2kbg s TRP 48 Ca -0.01 -0.95 -0.11 0.00 0.02 0.00 0.00 56.10 55.05 2kbg s TRP 48 Cb -0.02 -1.09 0.03 0.00 -1.15 0.00 0.00 33.47 31.24 2kbg s TRP 48 CO -0.01 -0.65 1.08 -0.51 0.02 0.00 0.00 176.95 176.89 2kbg s LEU 49 N 1.85 3.11 0.07 2.99 1.43 -0.70 -4.87 118.68 122.56 2kbg s LEU 49 Ca 0.01 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.96 2kbg s LEU 49 Cb -0.17 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 2kbg s LEU 49 CO -0.11 -1.78 -0.21 -1.83 0.23 0.00 0.00 176.35 172.65 2kbg s GLU 50 N -4.85 1.30 -0.19 1.70 1.03 -1.26 -2.35 118.70 114.07 2kbg s GLU 50 Ca 0.61 -1.06 -0.04 0.00 0.03 0.00 0.00 54.97 54.51 2kbg s GLU 50 Cb -0.16 -1.49 0.09 0.00 -0.80 0.00 0.00 34.13 31.76 2kbg s GLU 50 CO 0.54 0.37 0.23 0.21 -1.33 0.00 0.00 175.26 175.27 2kbg s LYS 51 N -1.52 0.18 0.20 -4.83 2.47 0.45 -4.97 119.74 111.72 2kbg s LYS 51 Ca 0.07 0.30 -0.22 0.00 -1.56 0.00 0.00 55.97 54.56 2kbg s LYS 51 Cb -0.09 -0.98 -0.08 0.00 -1.46 0.00 0.00 37.83 35.21 2kbg s LYS 51 CO 0.03 -0.59 0.75 0.15 0.16 0.00 0.00 175.35 175.86 2kbg s LYS 52 N 2.34 4.41 0.07 4.03 -0.14 -1.26 0.24 119.74 129.43 2kbg s LYS 52 Ca 0.06 1.02 0.02 0.00 -1.36 0.00 0.00 55.97 55.71 2kbg s LYS 52 Cb -0.15 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 2kbg s LYS 52 CO -0.11 0.47 -0.07 0.08 -0.76 0.00 0.00 175.35 174.97 2kbg s VAL 53 N -1.35 0.57 0.38 3.17 1.01 0.79 -4.94 120.40 120.04 2kbg s VAL 53 Ca 0.40 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 2kbg s VAL 53 Cb -0.20 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 2kbg s VAL 53 CO 0.23 -0.69 0.98 -1.58 0.00 0.00 0.00 175.10 174.04 2kbg s GLN 54 N -2.94 4.33 0.00 2.72 2.00 -1.26 0.22 119.66 124.73 2kbg s GLN 54 Ca 0.03 1.32 0.12 0.00 -2.00 0.00 0.00 55.36 54.83 2kbg s GLN 54 Cb -0.01 -2.52 0.60 0.00 0.80 0.00 0.00 33.01 31.88 2kbg s GLN 54 CO -0.03 0.04 1.31 0.41 -0.50 0.00 0.00 175.29 176.52 2kbg n GLY 55 N 0.12 -0.72 0.00 2.59 0.00 -1.15 -1.99 105.19 104.04 2kbg n GLY 55 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.32 1.79 -0.00 1.61 3.02 -1.26 -4.63 115.26 114.47 2kbg n ASN 56 Ca 0.05 -0.31 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 2kbg n ASN 56 Cb 0.10 1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 40.45 2kbg n ASN 56 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2kbg h LYS 57 N 0.00 0.11 -5.27 3.52 1.57 -1.78 -3.46 116.57 111.27 2kbg h LYS 57 Ca 0.00 -0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.37 2kbg h LYS 57 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2kbg h LYS 57 CO 0.00 0.18 -0.60 -0.25 -0.57 0.00 0.00 179.45 178.21 2kbg n ASP 58 N -4.98 -4.66 -3.64 0.86 8.00 -1.25 -4.91 116.55 105.97 2kbg n ASP 58 Ca -0.06 -0.41 -0.02 0.00 0.71 0.00 0.00 54.79 55.01 2kbg n ASP 58 Cb 0.08 -3.80 -0.03 0.00 -0.02 0.00 0.00 41.12 37.35 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 -3.06 -0.03 -0.10 1.24 -3.43 -1.26 -1.92 115.29 106.73 2kbg s HIS 59 Ca 0.41 0.04 -0.21 0.00 -0.80 0.00 0.00 55.06 54.50 2kbg s HIS 59 Cb -0.20 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.49 2kbg s HIS 59 CO 0.50 -0.04 0.51 0.96 -2.00 0.00 0.00 174.74 174.67 2kbg s ILE 60 N -1.45 0.02 -0.25 -5.38 -4.36 -1.21 -4.90 121.20 103.67 2kbg s ILE 60 Ca 0.10 -0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 2kbg s ILE 60 Cb -0.01 -0.78 0.02 0.00 1.25 0.00 0.00 42.46 42.95 2kbg s ILE 60 CO -0.06 -0.08 -0.06 -0.63 0.24 0.00 0.00 174.94 174.35 2kbg s ILE 61 N -0.66 2.93 -0.45 8.37 -1.09 -1.26 -2.78 121.20 126.26 2kbg s ILE 61 Ca -0.08 -0.98 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2kbg s ILE 61 Cb -0.03 -2.48 0.07 0.00 -1.58 0.00 0.00 42.46 38.44 2kbg s ILE 61 CO 0.05 0.21 0.34 -0.76 -1.23 0.00 0.00 174.94 173.55 2kbg s LEU 62 N 1.34 5.41 0.46 2.97 1.43 -1.24 -4.97 118.68 124.09 2kbg s LEU 62 Ca 0.01 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.62 2kbg s LEU 62 Cb -0.16 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 2kbg s LEU 62 CO -0.04 -0.59 0.89 -1.61 0.23 0.00 0.00 176.35 175.23 2kbg s GLU 63 N 1.57 3.90 -0.42 1.70 2.02 -1.26 -3.57 118.70 122.65 2kbg s GLU 63 Ca 0.04 0.77 -0.01 0.00 0.02 0.00 0.00 54.97 55.78 2kbg s GLU 63 Cb -0.23 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 2kbg s GLU 63 CO 0.05 -0.15 0.38 1.58 0.02 0.00 0.00 175.26 177.14 2kbg n HIS 64 N -1.38 -1.42 0.61 1.61 -0.00 -1.26 -4.98 115.22 108.40 2kbg n HIS 64 Ca 0.05 0.53 0.06 0.00 0.46 0.00 0.00 57.72 58.82 2kbg n HIS 64 Cb 0.54 -2.97 -0.05 0.00 -0.12 0.00 0.00 29.99 27.40 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 -1.68 0.94 -1.51 0.27 4.77 -1.26 -5.06 117.00 113.46 2kbg n LEU 65 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2kbg n LEU 65 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2kbg n LEU 65 CO 0.27 0.20 -0.39 0.00 -1.33 0.00 0.00 177.39 176.15 2kbg n GLN 66 N -0.86 -3.49 0.07 3.23 6.02 -1.26 -4.55 117.38 116.54 2kbg n GLN 66 Ca 0.04 2.68 0.11 0.00 -0.01 0.00 0.00 57.00 59.82 2kbg n GLN 66 Cb 0.23 -3.37 0.00 0.00 1.02 0.00 0.00 30.24 28.12 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 -2.11 0.66 -0.88 1.08 7.02 -1.26 -4.07 117.44 117.88 2kbg n TRP 67 Ca 0.00 0.19 0.08 0.00 -1.02 0.00 0.00 57.50 56.75 2kbg n TRP 67 Cb 0.30 -0.77 0.31 0.00 -2.42 0.00 0.00 31.31 28.73 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 -2.42 2.32 -3.78 -0.99 -2.24 -1.26 -3.47 114.28 102.43 2kbg n THR 68 Ca 0.00 -1.61 -0.13 0.00 -2.27 0.00 0.00 64.05 60.05 2kbg n THR 68 Cb 0.52 -0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 2kbg n THR 68 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2kbg s MET 69 N -2.60 0.26 0.60 -0.78 -2.45 -1.26 -5.06 119.30 108.02 2kbg s MET 69 Ca 0.46 0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 55.24 2kbg s MET 69 Cb 0.35 0.10 0.05 0.00 1.25 0.00 0.00 34.83 36.58 2kbg s MET 69 CO 0.13 -0.05 0.85 0.20 1.05 0.00 0.00 175.02 177.20 2kbg s GLY 70 N 0.26 1.79 -0.14 2.11 0.00 -1.26 -3.62 107.32 106.46 2kbg s GLY 70 Ca -0.01 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 2kbg s GLY 70 CO -0.01 -0.92 0.34 -0.19 0.00 0.00 0.00 173.10 172.32 2kbg s TYR 71 N -2.91 -0.44 0.13 1.90 2.02 -1.18 -2.43 117.35 114.45 2kbg s TYR 71 Ca 0.59 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 2kbg s TYR 71 Cb -0.10 0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.57 2kbg s TYR 71 CO 0.40 -0.25 0.29 -1.21 -1.57 0.00 0.00 175.55 173.22 2kbg s GLU 72 N 0.85 3.47 -0.02 -0.62 2.02 -0.21 -3.70 118.70 120.49 2kbg s GLU 72 Ca -0.05 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2kbg s GLU 72 Cb -0.06 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.22 2kbg s GLU 72 CO -0.06 0.52 -0.06 0.08 0.02 0.00 0.00 175.26 175.75 2kbg s VAL 73 N -1.69 0.59 -0.24 2.63 1.01 0.66 -2.25 120.40 121.11 2kbg s VAL 73 Ca 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2kbg s VAL 73 Cb -0.12 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.78 2kbg s VAL 73 CO 0.28 0.20 -0.01 -1.58 0.00 0.00 0.00 175.10 173.99 2kbg s GLN 74 N 0.30 1.28 -0.02 2.72 0.74 0.12 -0.06 119.66 124.74 2kbg s GLN 74 Ca -0.04 -0.91 -0.17 0.00 0.05 0.00 0.00 55.36 54.29 2kbg s GLN 74 Cb -0.08 -2.44 -0.05 0.00 1.10 0.00 0.00 33.01 31.53 2kbg s GLN 74 CO 0.00 -0.67 0.46 0.42 -0.55 0.00 0.00 175.29 174.94 2kbg s ILE 75 N 1.50 5.02 -0.09 -2.34 1.09 0.13 -0.73 121.20 125.79 2kbg s ILE 75 Ca -0.02 0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 60.45 2kbg s ILE 75 Cb -0.18 -3.78 0.04 0.00 -1.06 0.00 0.00 42.46 37.48 2kbg s ILE 75 CO -0.09 0.50 0.03 -0.89 -0.10 0.00 0.00 174.94 174.39 2kbg s THR 76 N -0.59 0.20 -0.15 2.92 2.01 0.39 0.11 115.64 120.54 2kbg s THR 76 Ca 0.25 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 2kbg s THR 76 Cb -0.17 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2kbg s THR 76 CO 0.13 0.13 0.61 0.00 -0.69 0.00 0.00 174.62 174.81 2kbg s ALA 77 N 2.03 3.47 -0.35 7.40 0.00 -1.25 0.09 121.76 133.15 2kbg s ALA 77 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 2kbg s ALA 77 Cb -0.13 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2kbg s ALA 77 CO -0.05 -0.31 0.18 0.00 0.00 0.00 0.00 175.76 175.58 2kbg s ALA 78 N 1.33 3.26 0.00 0.00 0.00 -0.28 -0.91 121.76 125.16 2kbg s ALA 78 Ca 0.30 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2kbg s ALA 78 Cb -0.16 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2kbg s ALA 78 CO 0.12 -1.20 0.00 0.27 0.00 0.00 0.00 175.76 174.95 2kbg n ASN 79 N 4.98 1.47 -0.17 0.00 6.94 -1.25 -0.66 115.26 126.57 2kbg n ASN 79 Ca -0.13 -0.83 0.27 0.00 -0.02 0.00 0.00 54.58 53.88 2kbg n ASN 79 Cb 0.47 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.59 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 0.04 -0.63 -3.83 3.08 -1.85 0.86 114.38 112.05 2kbg h ARG 80 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2kbg h ARG 80 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2kbg h ARG 80 CO 0.00 0.02 0.25 -0.07 -1.07 0.00 0.00 179.97 179.11 2kbg h LEU 81 N 0.04 0.87 0.00 3.04 -0.00 -1.93 -3.47 115.31 113.85 2kbg h LEU 81 Ca 0.42 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2kbg h LEU 81 Cb 1.62 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 2kbg h LEU 81 CO -0.02 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 179.83 2kbg n GLY 82 N -0.84 3.57 3.46 0.83 0.00 0.30 -5.04 105.19 107.48 2kbg n GLY 82 Ca 0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.63 -0.03 1.61 1.51 -1.26 -3.87 117.35 114.68 2kbg s TYR 83 Ca 0.00 1.52 0.03 0.00 -1.01 0.00 0.00 57.07 57.60 2kbg s TYR 83 Cb 0.00 0.23 0.00 0.00 -0.11 0.00 0.00 41.96 42.09 2kbg s TYR 83 CO 0.00 -0.31 -0.09 0.45 -1.11 0.00 0.00 175.55 174.49 2kbg s SER 84 N 0.41 1.27 0.00 2.29 0.15 -0.09 -4.89 113.70 112.85 2kbg s SER 84 Ca -0.01 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2kbg s SER 84 Cb -0.04 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 2kbg s SER 84 CO -0.01 0.07 0.00 -0.62 1.20 0.00 0.00 173.24 173.88 2kbg n GLU 85 N 3.32 0.00 -1.98 5.44 -0.58 -1.26 -3.94 120.64 121.64 2kbg n GLU 85 Ca -0.18 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.22 2kbg n GLU 85 Cb 0.54 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.43 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kbg s PRO 86 N 0.00 3.16 -0.39 3.49 0.04 -1.26 -4.75 135.00 135.29 2kbg s PRO 86 Ca 0.00 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 2kbg s PRO 86 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2kbg s PRO 86 CO 0.00 -0.95 0.33 0.99 0.04 0.00 0.00 177.00 177.41 2kbg s THR 87 N -2.34 5.21 -0.69 1.26 2.01 0.29 -4.89 115.64 116.49 2kbg s THR 87 Ca 0.66 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 2kbg s THR 87 Cb -0.18 -3.90 0.13 0.00 0.01 0.00 0.00 72.50 68.56 2kbg s THR 87 CO 0.37 -0.25 0.79 0.68 -0.69 0.00 0.00 174.62 175.52 2kbg s VAL 88 N 1.84 4.93 -0.19 3.82 -7.23 -1.26 0.19 120.40 122.50 2kbg s VAL 88 Ca 0.08 -1.34 -0.09 0.00 -1.81 0.00 0.00 61.98 58.83 2kbg s VAL 88 Cb -0.18 -4.54 -0.05 0.00 0.56 0.00 0.00 36.38 32.18 2kbg s VAL 88 CO 0.11 -1.18 0.10 -0.47 -0.31 0.00 0.00 175.10 173.35 2kbg s TYR 89 N 2.28 3.34 -0.05 2.82 5.04 0.91 -5.00 117.35 126.69 2kbg s TYR 89 Ca 0.16 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 2kbg s TYR 89 Cb -0.18 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.03 2kbg s TYR 89 CO 0.01 0.25 -0.10 -1.83 -1.34 0.00 0.00 175.55 172.54 2kbg s GLU 90 N 0.30 1.40 -0.28 4.97 -1.05 -1.26 -0.25 118.70 122.53 2kbg s GLU 90 Ca 0.06 -0.33 -0.25 0.00 -0.15 0.00 0.00 54.97 54.30 2kbg s GLU 90 Cb -0.12 -1.20 0.11 0.00 -0.44 0.00 0.00 34.13 32.48 2kbg s GLU 90 CO -0.01 0.01 0.95 -0.59 0.95 0.00 0.00 175.26 176.58 2kbg s PHE 91 N 0.66 -0.55 0.61 4.83 -0.71 -1.24 -5.04 117.98 116.54 2kbg s PHE 91 Ca -0.12 1.35 -0.01 0.00 -1.04 0.00 0.00 56.93 57.11 2kbg s PHE 91 Cb -0.15 0.34 0.06 0.00 -1.21 0.00 0.00 43.02 42.06 2kbg s PHE 91 CO 0.02 -0.27 0.87 -1.12 -1.34 0.00 0.00 175.22 173.38 2kbg s SER 92 N 0.25 5.01 -0.06 1.98 0.01 -1.26 -3.13 113.70 116.49 2kbg s SER 92 Ca 0.02 0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.20 2kbg s SER 92 Cb -0.05 -0.78 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 2kbg s SER 92 CO -0.04 -1.37 0.28 -0.04 0.41 0.00 0.00 173.24 172.47 2kbg s MET 93 N -4.94 3.70 0.78 12.44 -1.94 -1.24 -4.86 119.30 123.24 2kbg s MET 93 Ca 0.59 0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.60 2kbg s MET 93 Cb -0.10 -3.21 0.06 0.00 2.01 0.00 0.00 34.83 33.59 2kbg s MET 93 CO 0.41 0.72 1.09 -1.25 -0.01 0.00 0.00 175.02 175.98 2kbg s PRO 94 N -1.02 2.26 0.55 2.03 0.04 -1.26 -4.63 135.00 132.97 2kbg s PRO 94 Ca 0.19 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 2kbg s PRO 94 Cb -0.14 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2kbg s PRO 94 CO 0.09 -1.53 1.27 -1.25 0.04 0.00 0.00 177.00 175.61 2kbg s PRO 95 N -5.09 3.19 0.10 0.56 0.04 -1.23 -4.45 135.00 128.13 2kbg s PRO 95 Ca 0.60 2.01 -0.34 0.00 0.04 0.00 0.00 61.00 63.31 2kbg s PRO 95 Cb -0.15 -2.17 -0.18 0.00 0.04 0.00 0.00 34.50 32.04 2kbg s PRO 95 CO 0.55 -1.08 0.88 1.17 0.04 0.00 0.00 177.00 178.56 2kbg n LYS 96 N -1.12 0.20 -1.69 4.56 3.00 -1.26 -4.91 118.16 116.94 2kbg n LYS 96 Ca 0.11 0.07 -0.32 0.00 -0.00 0.00 0.00 58.31 58.17 2kbg n LYS 96 Cb 0.47 -1.38 0.04 0.00 0.00 0.00 0.00 35.03 34.16 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 -0.44 2.98 -0.02 1.64 0.04 -1.26 -5.02 135.00 132.91 2kbg s PRO 97 Ca 0.78 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2kbg s PRO 97 Cb -1.07 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 2kbg s PRO 97 CO 0.56 -1.08 0.18 -2.95 0.04 0.00 0.00 177.00 173.76 2kbg h ASN 98 N -0.38 -0.06 -0.11 6.66 -1.07 -2.03 -3.48 115.58 115.11 2kbg h ASN 98 Ca -0.45 0.00 0.18 0.00 0.07 0.00 0.00 56.30 56.11 2kbg h ASN 98 Cb 1.22 0.01 -0.18 0.00 -2.07 0.00 0.00 38.32 37.31 2kbg h ASN 98 CO 0.56 0.09 -0.03 -0.51 0.07 0.00 0.00 177.43 177.62 2kbg s ILE 99 N -1.61 -0.11 -0.22 6.14 2.07 -1.26 -5.17 121.20 121.04 2kbg s ILE 99 Ca -0.01 0.00 -0.36 0.00 -1.41 0.00 0.00 60.65 58.87 2kbg s ILE 99 Cb 0.00 -0.03 0.15 0.00 0.13 0.00 0.00 42.46 42.71 2kbg s ILE 99 CO 0.03 0.00 1.32 -0.51 -1.91 0.00 0.00 174.94 173.87 2kbg s ILE 100 N 2.27 0.00 -0.29 2.00 2.07 -1.26 -5.10 121.20 120.89 2kbg s ILE 100 Ca 0.19 -0.02 -0.36 0.00 -1.41 0.00 0.00 60.65 59.06 2kbg s ILE 100 Cb 0.03 -1.15 -0.12 0.00 0.13 0.00 0.00 42.46 41.35 2kbg s ILE 100 CO -0.18 0.00 2.04 1.17 -1.91 0.00 0.00 174.94 176.07 2kbg n LYS 101 N -0.11 1.30 0.00 3.50 3.00 -1.26 -5.08 118.16 119.51 2kbg n LYS 101 Ca 0.02 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2kbg n LYS 101 Cb 0.58 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 33.18 2kbg n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15