#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbg s GLU 2 N 0.00 0.40 0.00 2.89 2.12 -1.23 -5.05 118.70 117.83 2kbg s GLU 2 Ca 0.00 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.41 2kbg s GLU 2 Cb 0.00 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.78 2kbg s GLU 2 CO 0.00 -0.30 0.00 -0.35 -0.54 0.00 0.00 175.26 174.07 2kbg n PRO 3 N 5.40 2.22 -3.81 4.30 -0.04 -1.26 -4.12 135.00 137.70 2kbg n PRO 3 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2kbg n PRO 3 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.99 -0.06 0.91 3.54 0.15 -1.26 -4.96 113.70 111.03 2kbg s SER 4 Ca 0.00 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 2kbg s SER 4 Cb 0.00 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.79 2kbg s SER 4 CO 0.00 -0.80 0.69 -2.65 1.20 0.00 0.00 173.24 171.68 2kbg n PRO 5 N -0.61 -0.26 -0.83 5.44 -0.02 -1.26 -4.92 135.00 132.54 2kbg n PRO 5 Ca -0.04 -0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.26 2kbg n PRO 5 Cb 0.60 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.69 0.52 -0.02 -1.26 -5.01 135.00 124.05 2kbg n PRO 6 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 2kbg n PRO 6 Cb 0.53 -0.97 0.08 0.00 -0.02 0.00 0.00 33.50 33.12 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 3.10 -1.70 -3.99 2.55 2.88 -1.26 -5.07 113.62 110.13 2kbg n SER 7 Ca -0.01 -2.42 -0.25 0.00 -1.33 0.00 0.00 58.87 54.87 2kbg n SER 7 Cb 0.31 1.22 -0.17 0.00 -0.75 0.00 0.00 64.21 64.82 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 0.15 1.05 -0.22 2.46 -1.09 -1.26 -1.73 121.20 120.56 2kbg s ILE 8 Ca 0.17 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 2kbg s ILE 8 Cb 0.27 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 40.20 2kbg s ILE 8 CO -0.08 0.34 -0.15 -1.00 -1.23 0.00 0.00 174.94 172.83 2kbg s HIS 9 N 0.90 2.97 -0.03 3.97 3.76 -1.15 -4.95 115.29 120.76 2kbg s HIS 9 Ca -0.10 -1.80 -0.09 0.00 -0.15 0.00 0.00 55.06 52.91 2kbg s HIS 9 Cb -0.15 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 2kbg s HIS 9 CO 0.01 -0.81 0.28 0.20 -0.85 0.00 0.00 174.74 173.58 2kbg s GLY 10 N 1.25 2.30 -0.05 -2.22 0.00 -1.25 -1.41 107.32 105.94 2kbg s GLY 10 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 2kbg s GLY 10 CO -0.09 -0.21 0.13 1.20 0.00 0.00 0.00 173.10 174.13 2kbg s GLN 11 N -1.35 0.17 -0.95 2.90 -1.52 -0.59 -4.94 119.66 113.38 2kbg s GLN 11 Ca 0.23 0.15 -0.24 0.00 -1.95 0.00 0.00 55.36 53.55 2kbg s GLN 11 Cb -0.14 0.08 0.02 0.00 -0.22 0.00 0.00 33.01 32.75 2kbg s GLN 11 CO 0.12 -0.02 1.61 -1.25 -0.25 0.00 0.00 175.29 175.49 2kbg s PRO 12 N -0.01 3.20 0.80 2.91 0.04 -1.26 -0.20 135.00 140.49 2kbg s PRO 12 Ca -0.01 -0.73 -0.11 0.00 0.04 0.00 0.00 61.00 60.19 2kbg s PRO 12 Cb -0.01 -5.14 0.07 0.00 0.04 0.00 0.00 34.50 29.46 2kbg s PRO 12 CO 0.00 -2.58 1.09 -1.54 0.04 0.00 0.00 177.00 174.01 2kbg s SER 13 N 5.95 4.33 -0.43 6.66 1.04 0.22 -4.83 113.70 126.64 2kbg s SER 13 Ca 0.53 1.54 -0.43 0.00 0.48 0.00 0.00 55.95 58.07 2kbg s SER 13 Cb -0.03 -2.27 -0.18 0.00 0.10 0.00 0.00 66.02 63.64 2kbg s SER 13 CO -0.04 -2.10 1.44 -1.20 0.98 0.00 0.00 173.24 172.32 2kbg n SER 14 N -3.54 1.04 0.00 7.02 7.64 -1.26 -4.05 113.62 120.47 2kbg n SER 14 Ca 0.08 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2kbg n SER 14 Cb 0.55 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 3.53 -1.04 0.00 0.23 0.00 -1.26 -4.11 105.19 102.55 2kbg n GLY 15 Ca 0.28 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 0.12 -1.78 1.61 5.02 -1.26 -4.87 118.16 116.99 2kbg n LYS 16 Ca 0.00 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2kbg n LYS 16 Cb 0.00 -1.50 -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 -1.54 -0.52 0.00 0.00 177.40 175.34 2kbg s SER 17 N -2.88 6.36 -0.21 4.39 1.04 -1.26 -4.45 113.70 116.70 2kbg s SER 17 Ca 0.18 2.98 0.01 0.00 0.48 0.00 0.00 55.95 59.59 2kbg s SER 17 Cb 0.19 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.70 2kbg s SER 17 CO 0.51 -0.90 -0.15 0.12 0.98 0.00 0.00 173.24 173.80 2kbg s PHE 18 N -0.29 2.93 -0.44 5.02 5.36 -1.22 -0.61 117.98 128.73 2kbg s PHE 18 Ca 0.61 -1.70 -0.27 0.00 -0.96 0.00 0.00 56.93 54.61 2kbg s PHE 18 Cb -0.47 -1.96 0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2kbg s PHE 18 CO 0.52 -0.79 1.01 0.21 -1.46 0.00 0.00 175.22 174.71 2kbg s LYS 19 N 1.28 3.69 -0.74 10.12 2.20 0.72 -3.71 119.74 133.30 2kbg s LYS 19 Ca 0.02 0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 2kbg s LYS 19 Cb -0.15 -3.88 0.19 0.00 -1.51 0.00 0.00 37.83 32.48 2kbg s LYS 19 CO -0.09 -1.20 0.65 -0.51 -0.36 0.00 0.00 175.35 173.83 2kbg s LEU 20 N 3.93 6.29 0.03 5.43 1.43 -1.07 -1.54 118.68 133.19 2kbg s LEU 20 Ca 0.41 -2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 50.58 2kbg s LEU 20 Cb -0.10 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2kbg s LEU 20 CO 0.26 -0.55 1.62 -0.55 0.23 0.00 0.00 176.35 177.36 2kbg s SER 21 N 1.93 6.65 -0.40 2.29 0.15 -0.50 -3.57 113.70 120.24 2kbg s SER 21 Ca 0.16 2.37 -0.24 0.00 0.70 0.00 0.00 55.95 58.94 2kbg s SER 21 Cb -0.15 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2kbg s SER 21 CO -0.06 -0.87 0.85 -0.63 1.20 0.00 0.00 173.24 173.72 2kbg s ILE 22 N 2.97 4.62 0.28 6.45 -1.09 -0.88 -2.94 121.20 130.61 2kbg s ILE 22 Ca 0.73 0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 59.73 2kbg s ILE 22 Cb -0.37 -4.31 -0.09 0.00 -1.58 0.00 0.00 42.46 36.10 2kbg s ILE 22 CO 0.31 -0.61 0.89 -0.89 -1.23 0.00 0.00 174.94 173.41 2kbg s THR 23 N 3.38 4.27 -0.42 2.92 2.01 -0.71 -4.58 115.64 122.52 2kbg s THR 23 Ca 0.34 1.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.82 2kbg s THR 23 Cb -0.12 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 2kbg s THR 23 CO 0.21 0.24 1.96 -0.54 -0.69 0.00 0.00 174.62 175.79 2kbg s LYS 24 N -1.84 2.91 0.73 4.92 1.02 -1.26 -4.93 119.74 121.30 2kbg s LYS 24 Ca 0.46 1.26 -0.05 0.00 0.02 0.00 0.00 55.97 57.66 2kbg s LYS 24 Cb -0.20 -4.33 0.11 0.00 -0.52 0.00 0.00 37.83 32.89 2kbg s LYS 24 CO 0.25 -2.36 1.03 -0.65 -0.92 0.00 0.00 175.35 172.69 2kbg s GLN 25 N 6.54 1.75 0.00 1.68 -0.21 -1.26 -4.93 119.66 123.23 2kbg s GLN 25 Ca 0.81 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 55.51 2kbg s GLN 25 Cb -0.20 -2.23 0.21 0.00 1.00 0.00 0.00 33.01 31.80 2kbg s GLN 25 CO 0.29 -1.46 0.88 -0.25 -2.12 0.00 0.00 175.29 172.63 2kbg n ASP 26 N -2.95 0.00 -0.35 5.90 8.00 -1.26 -4.94 116.55 120.94 2kbg n ASP 26 Ca 0.12 0.12 0.02 0.00 0.71 0.00 0.00 54.79 55.76 2kbg n ASP 26 Cb 0.60 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2kbg n ASP 26 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kbg n ASP 27 N -1.20 -2.12 -0.01 -2.24 5.68 -1.26 -4.20 116.55 111.20 2kbg n ASP 27 Ca 0.02 0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.56 2kbg n ASP 27 Cb 0.03 -0.49 0.11 0.00 -1.14 0.00 0.00 41.12 39.62 2kbg n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kbg n GLY 28 N -0.47 -1.12 0.00 6.12 0.00 -1.26 -4.35 105.19 104.11 2kbg n GLY 28 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.50 0.23 2.92 -0.02 0.00 -1.26 -3.51 105.19 105.04 2kbg n GLY 29 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.15 0.15 0.42 4.61 0.00 -1.26 -5.11 121.76 119.42 2kbg s ALA 30 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 2kbg s ALA 30 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2kbg s ALA 30 CO 0.00 -0.01 1.35 -1.25 0.00 0.00 0.00 175.76 175.85 2kbg s PRO 31 N -0.38 3.87 0.00 0.00 0.04 -1.26 -4.74 135.00 132.54 2kbg s PRO 31 Ca -0.03 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 2kbg s PRO 31 Cb -0.03 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 2kbg s PRO 31 CO -0.00 -0.61 0.63 0.42 0.04 0.00 0.00 177.00 177.48 2kbg s ILE 32 N -1.24 4.88 -0.16 0.56 1.01 -1.26 -4.21 121.20 120.79 2kbg s ILE 32 Ca 0.58 1.33 -0.08 0.00 0.00 0.00 0.00 60.65 62.48 2kbg s ILE 32 Cb -0.40 -3.97 -0.23 0.00 0.01 0.00 0.00 42.46 37.86 2kbg s ILE 32 CO 0.52 0.40 0.24 0.18 0.00 0.00 0.00 174.94 176.27 2kbg n LEU 33 N 2.79 2.52 -3.94 2.97 7.99 -0.97 -4.44 117.00 123.93 2kbg n LEU 33 Ca -0.06 0.21 -0.10 0.00 -0.01 0.00 0.00 56.01 56.05 2kbg n LEU 33 Cb 0.51 -1.06 -0.10 0.00 -0.11 0.00 0.00 43.42 42.66 2kbg n LEU 33 CO 0.44 0.76 -0.25 -1.61 -1.51 0.00 0.00 177.39 175.22 2kbg s GLU 34 N -2.52 0.48 -0.18 3.23 8.01 -1.24 -0.15 118.70 126.33 2kbg s GLU 34 Ca -0.26 -0.64 -0.04 0.00 0.01 0.00 0.00 54.97 54.04 2kbg s GLU 34 Cb 0.07 0.19 -0.02 0.00 -4.31 0.00 0.00 34.13 30.05 2kbg s GLU 34 CO 0.71 -0.11 -0.03 0.71 0.01 0.00 0.00 175.26 176.55 2kbg s TYR 35 N -2.00 3.01 -0.41 1.61 1.51 0.20 -1.46 117.35 119.82 2kbg s TYR 35 Ca -0.10 -0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 55.32 2kbg s TYR 35 Cb -0.05 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2kbg s TYR 35 CO -0.02 -0.21 0.36 0.42 -1.11 0.00 0.00 175.55 174.99 2kbg s ILE 36 N 0.81 5.18 -0.20 2.71 1.01 0.12 -0.50 121.20 130.33 2kbg s ILE 36 Ca -0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2kbg s ILE 36 Cb -0.14 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2kbg s ILE 36 CO 0.02 -0.34 0.02 -0.69 0.00 0.00 0.00 174.94 173.95 2kbg s VAL 37 N 1.89 4.11 -0.13 2.92 1.01 0.22 -0.90 120.40 129.52 2kbg s VAL 37 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kbg s VAL 37 Cb -0.18 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.36 2kbg s VAL 37 CO 0.12 0.42 -0.14 -0.54 0.00 0.00 0.00 175.10 174.96 2kbg s LYS 38 N 0.98 2.21 0.15 2.72 1.02 -0.24 0.75 119.74 127.33 2kbg s LYS 38 Ca 0.02 -0.53 0.08 0.00 0.02 0.00 0.00 55.97 55.56 2kbg s LYS 38 Cb -0.14 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2kbg s LYS 38 CO 0.02 -0.19 -0.17 1.52 -0.92 0.00 0.00 175.35 175.61 2kbg s TYR 39 N 1.38 1.67 0.22 3.18 1.13 -1.02 -0.31 117.35 123.60 2kbg s TYR 39 Ca 0.02 -0.50 -0.08 0.00 -1.41 0.00 0.00 57.07 55.11 2kbg s TYR 39 Cb -0.13 -0.85 -0.02 0.00 -1.10 0.00 0.00 41.96 39.86 2kbg s TYR 39 CO -0.08 0.26 0.31 -0.98 -2.51 0.00 0.00 175.55 172.55 2kbg s ARG 40 N -2.69 1.36 0.27 -3.49 1.70 -0.75 -1.41 118.95 113.94 2kbg s ARG 40 Ca 0.13 -1.40 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 2kbg s ARG 40 Cb -0.06 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 2kbg s ARG 40 CO 0.05 -0.51 0.95 -1.54 -1.08 0.00 0.00 175.30 173.17 2kbg s SER 41 N -3.07 7.54 0.35 -2.89 1.04 -1.26 -0.27 113.70 115.14 2kbg s SER 41 Ca 0.29 1.94 0.08 0.00 0.48 0.00 0.00 55.95 58.73 2kbg s SER 41 Cb 0.03 -2.60 0.64 0.00 0.10 0.00 0.00 66.02 64.19 2kbg s SER 41 CO 0.09 0.08 1.83 0.11 0.98 0.00 0.00 173.24 176.33 2kbg h LYS 42 N 3.86 0.28 0.00 4.02 1.57 -1.40 -2.32 116.57 122.57 2kbg h LYS 42 Ca -0.46 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2kbg h LYS 42 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2kbg h LYS 42 CO 0.67 0.48 0.00 -0.25 -0.57 0.00 0.00 179.45 179.78 2kbg n ASP 43 N -4.19 0.00 -3.82 0.86 8.00 -1.26 -4.79 116.55 111.35 2kbg n ASP 43 Ca -0.01 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2kbg n ASP 43 Cb 0.34 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 2kbg n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kbg s LYS 44 N -2.67 1.47 0.00 -1.24 1.02 -0.87 -5.07 119.74 112.39 2kbg s LYS 44 Ca 0.15 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.31 2kbg s LYS 44 Cb 0.12 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 2kbg s LYS 44 CO 0.28 -0.51 0.65 -0.85 -0.92 0.00 0.00 175.35 174.00 2kbg n GLU 45 N -0.45 0.00 0.00 1.68 0.28 -1.26 -4.59 120.64 116.30 2kbg n GLU 45 Ca 0.04 -0.56 0.07 0.00 -0.16 0.00 0.00 57.16 56.56 2kbg n GLU 45 Cb 0.64 0.37 0.02 0.00 1.43 0.00 0.00 31.44 33.91 2kbg n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kbg n ASP 46 N 0.00 1.83 -3.85 -1.84 8.00 -1.26 -4.98 116.55 114.44 2kbg n ASP 46 Ca -0.16 -1.41 -0.12 0.00 0.71 0.00 0.00 54.79 53.81 2kbg n ASP 46 Cb 0.53 0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.58 0.35 -0.11 -1.24 -2.07 -1.26 -5.15 119.66 108.60 2kbg s GLN 47 Ca 0.14 -0.13 -0.01 0.00 -1.82 0.00 0.00 55.36 53.55 2kbg s GLN 47 Cb 0.12 0.15 0.03 0.00 -1.09 0.00 0.00 33.01 32.23 2kbg s GLN 47 CO 0.30 -0.07 -0.01 -1.58 -1.32 0.00 0.00 175.29 172.61 2kbg s TRP 48 N -0.73 0.96 0.64 9.60 0.52 -1.26 -4.71 118.94 123.96 2kbg s TRP 48 Ca -0.08 -0.46 -0.11 0.00 0.02 0.00 0.00 56.10 55.47 2kbg s TRP 48 Cb -0.05 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 2kbg s TRP 48 CO 0.01 -0.43 1.04 -0.51 0.02 0.00 0.00 176.95 177.08 2kbg s LEU 49 N 1.88 3.18 0.20 2.99 1.43 -0.50 -4.90 118.68 122.96 2kbg s LEU 49 Ca 0.04 1.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.68 2kbg s LEU 49 Cb -0.13 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 2kbg s LEU 49 CO -0.06 -1.02 -0.19 -1.83 0.23 0.00 0.00 176.35 173.48 2kbg s GLU 50 N -5.17 1.71 -0.29 1.70 -1.05 -1.26 -2.43 118.70 111.92 2kbg s GLU 50 Ca 0.56 -1.47 -0.07 0.00 -0.15 0.00 0.00 54.97 53.84 2kbg s GLU 50 Cb -0.12 -1.94 0.15 0.00 -0.44 0.00 0.00 34.13 31.78 2kbg s GLU 50 CO 0.54 0.40 0.61 0.21 0.95 0.00 0.00 175.26 177.97 2kbg s LYS 51 N -2.83 0.55 -0.01 -4.83 2.47 0.23 -4.95 119.74 110.37 2kbg s LYS 51 Ca 0.23 1.25 -0.04 0.00 -1.56 0.00 0.00 55.97 55.86 2kbg s LYS 51 Cb -0.08 0.69 -0.04 0.00 -1.46 0.00 0.00 37.83 36.94 2kbg s LYS 51 CO 0.12 -0.35 0.20 0.15 0.16 0.00 0.00 175.35 175.63 2kbg s LYS 52 N 2.85 3.46 0.04 4.03 -0.14 -1.26 0.72 119.74 129.44 2kbg s LYS 52 Ca 0.03 -0.27 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 2kbg s LYS 52 Cb -0.13 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2kbg s LYS 52 CO -0.19 0.67 -0.06 0.08 -0.76 0.00 0.00 175.35 175.10 2kbg s VAL 53 N -1.31 0.40 0.01 3.17 1.01 0.35 -4.96 120.40 119.08 2kbg s VAL 53 Ca 0.27 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2kbg s VAL 53 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2kbg s VAL 53 CO 0.18 -0.53 0.99 -1.58 0.00 0.00 0.00 175.10 174.15 2kbg s GLN 54 N -2.01 4.57 0.00 2.72 0.74 -1.26 0.61 119.66 125.03 2kbg s GLN 54 Ca -0.08 1.44 0.00 0.00 0.05 0.00 0.00 55.36 56.77 2kbg s GLN 54 Cb -0.07 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.59 2kbg s GLN 54 CO -0.01 -0.03 0.23 0.41 -0.55 0.00 0.00 175.29 175.33 2kbg n GLY 55 N 2.85 0.00 0.01 2.59 0.00 0.79 0.36 105.19 111.79 2kbg n GLY 55 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.68 3.01 0.05 1.61 3.02 -1.26 -4.67 115.26 116.33 2kbg n ASN 56 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 2kbg n ASN 56 Cb 0.00 1.34 -0.08 0.00 -0.61 0.00 0.00 39.78 40.43 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 -0.07 -5.70 3.52 1.57 -0.47 -3.47 116.57 111.95 2kbg h LYS 57 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.36 2kbg h LYS 57 Cb 0.49 0.02 0.11 0.00 0.08 0.00 0.00 32.23 32.93 2kbg h LYS 57 CO 0.00 0.12 -0.68 -0.25 -0.57 0.00 0.00 179.45 178.08 2kbg n ASP 58 N -5.04 -6.22 -3.64 0.86 8.00 -1.25 -4.96 116.55 104.31 2kbg n ASP 58 Ca -0.08 -0.53 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 2kbg n ASP 58 Cb 0.13 -4.91 -0.03 0.00 -0.02 0.00 0.00 41.12 36.29 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 -3.30 -0.05 -0.07 1.24 -3.43 -1.26 -2.07 115.29 106.34 2kbg s HIS 59 Ca 0.56 0.08 -0.14 0.00 -0.80 0.00 0.00 55.06 54.75 2kbg s HIS 59 Cb -0.25 0.50 0.03 0.00 -1.43 0.00 0.00 32.58 31.43 2kbg s HIS 59 CO 0.69 -0.06 0.35 0.96 -2.00 0.00 0.00 174.74 174.68 2kbg s ILE 60 N -1.41 0.03 -0.35 -5.38 -4.36 -1.23 -4.91 121.20 103.58 2kbg s ILE 60 Ca 0.09 -0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.26 2kbg s ILE 60 Cb -0.01 -0.58 0.10 0.00 1.25 0.00 0.00 42.46 43.22 2kbg s ILE 60 CO -0.06 -0.13 0.08 -0.63 0.24 0.00 0.00 174.94 174.44 2kbg s ILE 61 N -0.59 2.65 -0.63 8.37 -1.09 -1.26 -2.60 121.20 126.05 2kbg s ILE 61 Ca -0.07 -2.11 -0.25 0.00 -2.23 0.00 0.00 60.65 55.99 2kbg s ILE 61 Cb -0.04 -2.84 0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2kbg s ILE 61 CO 0.03 -0.54 1.08 -0.76 -1.23 0.00 0.00 174.94 173.52 2kbg s LEU 62 N 1.02 3.80 0.73 2.97 2.01 -1.24 -4.94 118.68 123.04 2kbg s LEU 62 Ca 0.07 -0.45 -0.07 0.00 0.01 0.00 0.00 54.13 53.69 2kbg s LEU 62 Cb -0.20 -2.72 0.08 0.00 0.01 0.00 0.00 46.19 43.35 2kbg s LEU 62 CO -0.06 -1.49 1.05 -1.61 1.01 0.00 0.00 176.35 175.25 2kbg s GLU 63 N 4.63 2.03 -0.90 1.70 2.02 -1.26 -3.43 118.70 123.49 2kbg s GLU 63 Ca 0.32 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 2kbg s GLU 63 Cb -0.11 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 2kbg s GLU 63 CO 0.17 -1.37 0.72 0.72 0.02 0.00 0.00 175.26 175.52 2kbg n HIS 64 N -3.01 -2.39 -3.16 1.61 8.25 -1.26 -4.93 115.22 110.33 2kbg n HIS 64 Ca 0.09 0.84 -0.07 0.00 -0.26 0.00 0.00 57.72 58.32 2kbg n HIS 64 Cb 0.60 -3.57 0.02 0.00 1.12 0.00 0.00 29.99 28.16 2kbg n HIS 64 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kbg n LEU 65 N -2.80 0.00 -3.95 2.41 4.77 -1.26 -5.06 117.00 111.11 2kbg n LEU 65 Ca -0.12 -0.84 -0.22 0.00 -0.03 0.00 0.00 56.01 54.80 2kbg n LEU 65 Cb 0.59 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 2kbg n LEU 65 CO 0.60 -0.52 -0.44 -1.10 -1.33 0.00 0.00 177.39 174.61 2kbg s GLN 66 N -2.83 1.23 0.00 3.23 -0.21 -1.26 -4.93 119.66 114.89 2kbg s GLN 66 Ca 0.18 -0.24 0.15 0.00 0.02 0.00 0.00 55.36 55.46 2kbg s GLN 66 Cb -0.01 -1.10 0.72 0.00 1.00 0.00 0.00 33.01 33.61 2kbg s GLN 66 CO 0.11 -0.03 1.44 0.91 -2.12 0.00 0.00 175.29 175.60 2kbg n TRP 67 N 3.95 0.00 -0.44 0.91 7.02 -1.26 -2.70 117.44 124.91 2kbg n TRP 67 Ca -0.24 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.27 2kbg n TRP 67 Cb 0.51 -0.36 0.04 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.36 1.09 -3.71 -0.99 -2.24 -1.26 -3.45 114.28 102.37 2kbg n THR 68 Ca 0.06 -1.19 -0.16 0.00 -2.27 0.00 0.00 64.05 60.49 2kbg n THR 68 Cb 0.14 0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.35 0.03 0.54 -0.78 -2.45 -1.10 -5.03 119.30 109.17 2kbg s MET 69 Ca 0.08 0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 54.90 2kbg s MET 69 Cb 0.07 -0.27 -0.01 0.00 1.25 0.00 0.00 34.83 35.87 2kbg s MET 69 CO 0.01 -0.25 0.85 0.20 1.05 0.00 0.00 175.02 176.88 2kbg s GLY 70 N 1.76 1.56 -0.11 2.11 0.00 -1.26 -4.21 107.32 107.17 2kbg s GLY 70 Ca -0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.95 2kbg s GLY 70 CO -0.05 -0.36 0.42 -2.52 0.00 0.00 0.00 173.10 170.59 2kbg s TYR 71 N -2.88 -0.41 0.23 1.90 1.13 -1.25 -1.00 117.35 115.07 2kbg s TYR 71 Ca 0.51 0.91 -0.04 0.00 -1.41 0.00 0.00 57.07 57.04 2kbg s TYR 71 Cb -0.10 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 2kbg s TYR 71 CO 0.45 -0.30 0.47 -1.21 -2.51 0.00 0.00 175.55 172.45 2kbg s GLU 72 N -0.31 3.61 -0.07 -3.49 2.02 0.63 -3.92 118.70 117.18 2kbg s GLU 72 Ca -0.05 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 54.89 2kbg s GLU 72 Cb -0.03 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2kbg s GLU 72 CO 0.02 0.33 -0.18 0.08 0.02 0.00 0.00 175.26 175.54 2kbg s VAL 73 N -1.91 1.55 -0.30 2.63 1.01 0.19 -1.80 120.40 121.78 2kbg s VAL 73 Ca 0.42 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2kbg s VAL 73 Cb -0.11 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 35.00 2kbg s VAL 73 CO 0.28 0.45 0.00 -1.58 0.00 0.00 0.00 175.10 174.24 2kbg s GLN 74 N 0.29 1.57 -0.07 2.72 0.74 0.58 0.13 119.66 125.61 2kbg s GLN 74 Ca -0.11 -1.48 -0.22 0.00 0.05 0.00 0.00 55.36 53.60 2kbg s GLN 74 Cb -0.15 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 2kbg s GLN 74 CO 0.04 -0.80 0.65 0.42 -0.55 0.00 0.00 175.29 175.05 2kbg s ILE 75 N 1.14 5.05 -0.11 -2.34 1.09 0.11 -1.08 121.20 125.07 2kbg s ILE 75 Ca 0.03 1.34 -0.02 0.00 -1.10 0.00 0.00 60.65 60.90 2kbg s ILE 75 Cb -0.19 -3.99 0.04 0.00 -1.06 0.00 0.00 42.46 37.26 2kbg s ILE 75 CO -0.09 0.28 -0.00 -0.89 -0.10 0.00 0.00 174.94 174.14 2kbg s THR 76 N 0.66 0.50 -0.14 2.92 2.01 -0.08 0.55 115.64 122.06 2kbg s THR 76 Ca 0.35 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 2kbg s THR 76 Cb -0.17 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2kbg s THR 76 CO 0.17 0.16 0.63 0.00 -0.69 0.00 0.00 174.62 174.89 2kbg s ALA 77 N 1.91 3.46 -0.40 7.40 0.00 -1.19 0.13 121.76 133.07 2kbg s ALA 77 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2kbg s ALA 77 Cb -0.13 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.14 2kbg s ALA 77 CO -0.06 -0.29 0.22 0.00 0.00 0.00 0.00 175.76 175.63 2kbg s ALA 78 N 1.27 3.24 0.00 0.00 0.00 -0.53 -0.63 121.76 125.11 2kbg s ALA 78 Ca 0.31 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2kbg s ALA 78 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2kbg s ALA 78 CO 0.13 -1.54 0.00 0.27 0.00 0.00 0.00 175.76 174.62 2kbg n ASN 79 N 4.91 1.00 -0.27 0.00 0.23 -1.26 -2.29 115.26 117.59 2kbg n ASN 79 Ca -0.11 -0.89 0.33 0.00 -0.53 0.00 0.00 54.58 53.38 2kbg n ASN 79 Cb 0.44 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.87 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 0.00 -0.62 -3.83 3.08 -1.85 1.30 114.38 112.46 2kbg h ARG 80 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2kbg h ARG 80 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2kbg h ARG 80 CO 0.00 0.00 0.19 -0.07 -1.07 0.00 0.00 179.97 179.02 2kbg h LEU 81 N 0.00 0.90 0.00 3.04 -0.00 -1.93 -3.47 115.31 113.85 2kbg h LEU 81 Ca 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 2kbg h LEU 81 Cb 2.18 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.61 2kbg h LEU 81 CO -0.01 0.87 0.00 0.61 -0.00 0.00 0.00 178.44 179.92 2kbg n GLY 82 N -0.72 3.53 3.52 0.83 0.00 0.45 -5.02 105.19 107.78 2kbg n GLY 82 Ca 0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.85 0.01 1.61 1.51 -1.26 -4.00 117.35 114.37 2kbg s TYR 83 Ca 0.00 1.80 -0.29 0.00 -1.01 0.00 0.00 57.07 57.57 2kbg s TYR 83 Cb 0.00 0.43 0.10 0.00 -0.11 0.00 0.00 41.96 42.38 2kbg s TYR 83 CO 0.00 -0.43 1.01 0.45 -1.11 0.00 0.00 175.55 175.47 2kbg s SER 84 N 1.19 -0.24 -1.29 2.29 0.15 0.20 -4.92 113.70 111.08 2kbg s SER 84 Ca -0.07 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.42 2kbg s SER 84 Cb -0.06 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2kbg s SER 84 CO -0.12 -0.60 0.67 1.21 1.20 0.00 0.00 173.24 175.60 2kbg n GLU 85 N -0.31 -3.83 -2.00 5.44 4.07 -1.26 -3.16 120.64 119.59 2kbg n GLU 85 Ca -0.06 0.56 -0.32 0.00 -0.06 0.00 0.00 57.16 57.27 2kbg n GLU 85 Cb 0.61 -4.91 0.01 0.00 -0.06 0.00 0.00 31.44 27.10 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2kbg s PRO 86 N -6.01 3.29 -0.09 5.31 0.04 -1.26 -4.37 135.00 131.90 2kbg s PRO 86 Ca 0.10 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 2kbg s PRO 86 Cb -0.03 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2kbg s PRO 86 CO 0.83 -0.83 0.02 0.99 0.04 0.00 0.00 177.00 178.05 2kbg s THR 87 N -2.53 0.27 -0.64 1.26 2.01 0.19 -4.85 115.64 111.35 2kbg s THR 87 Ca 0.63 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.53 2kbg s THR 87 Cb -0.16 -0.53 0.14 0.00 0.01 0.00 0.00 72.50 71.96 2kbg s THR 87 CO 0.39 0.14 0.67 -0.69 -0.69 0.00 0.00 174.62 174.44 2kbg s VAL 88 N 2.01 5.10 -0.14 3.82 1.01 -1.26 0.09 120.40 131.02 2kbg s VAL 88 Ca 0.04 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.47 2kbg s VAL 88 Cb -0.13 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2kbg s VAL 88 CO -0.05 -1.04 0.10 -0.47 0.00 0.00 0.00 175.10 173.63 2kbg s TYR 89 N 1.84 3.41 -0.02 5.22 5.04 0.12 -4.97 117.35 127.98 2kbg s TYR 89 Ca 0.11 0.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 2kbg s TYR 89 Cb -0.22 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.11 2kbg s TYR 89 CO 0.01 0.48 -0.03 -1.83 -1.34 0.00 0.00 175.55 172.84 2kbg s GLU 90 N -0.42 0.42 -0.29 4.97 -1.05 -1.26 0.56 118.70 121.63 2kbg s GLU 90 Ca 0.11 -0.07 -0.19 0.00 -0.15 0.00 0.00 54.97 54.67 2kbg s GLU 90 Cb -0.12 -0.48 0.14 0.00 -0.44 0.00 0.00 34.13 33.23 2kbg s GLU 90 CO 0.02 -0.02 1.01 -0.59 0.95 0.00 0.00 175.26 176.63 2kbg s PHE 91 N 0.47 -0.53 0.79 4.83 -0.71 -1.25 -5.03 117.98 116.55 2kbg s PHE 91 Ca -0.05 1.12 -0.12 0.00 -1.04 0.00 0.00 56.93 56.84 2kbg s PHE 91 Cb -0.08 0.36 0.07 0.00 -1.21 0.00 0.00 43.02 42.15 2kbg s PHE 91 CO -0.01 -0.26 1.16 -1.54 -1.34 0.00 0.00 175.22 173.23 2kbg s SER 92 N 0.96 4.63 -0.06 1.98 1.04 -1.26 -3.89 113.70 117.10 2kbg s SER 92 Ca -0.05 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.15 2kbg s SER 92 Cb -0.04 -1.46 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 2kbg s SER 92 CO -0.12 -1.84 0.31 -0.04 0.98 0.00 0.00 173.24 172.53 2kbg s MET 93 N -5.49 3.83 0.81 4.02 -1.94 -1.26 -4.94 119.30 114.32 2kbg s MET 93 Ca 0.61 0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 54.69 2kbg s MET 93 Cb -0.11 -3.24 0.08 0.00 2.01 0.00 0.00 34.83 33.56 2kbg s MET 93 CO 0.50 0.65 1.10 -1.25 -0.01 0.00 0.00 175.02 176.01 2kbg s PRO 94 N -0.83 1.97 0.62 2.03 0.04 -1.26 -4.55 135.00 133.01 2kbg s PRO 94 Ca 0.20 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.71 2kbg s PRO 94 Cb -0.15 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2kbg s PRO 94 CO 0.09 -1.71 1.20 -1.25 0.04 0.00 0.00 177.00 175.38 2kbg s PRO 95 N -5.13 2.85 0.09 0.56 0.04 -1.22 -4.40 135.00 127.78 2kbg s PRO 95 Ca 0.61 1.79 -0.35 0.00 0.04 0.00 0.00 61.00 63.09 2kbg s PRO 95 Cb -0.15 -1.92 -0.19 0.00 0.04 0.00 0.00 34.50 32.29 2kbg s PRO 95 CO 0.54 -1.29 0.89 1.17 0.04 0.00 0.00 177.00 178.35 2kbg n LYS 96 N -1.79 0.11 -1.66 4.56 3.00 -1.26 -4.92 118.16 116.20 2kbg n LYS 96 Ca 0.13 0.04 -0.31 0.00 -0.00 0.00 0.00 58.31 58.17 2kbg n LYS 96 Cb 0.50 -1.37 0.04 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.38 2.98 0.00 1.64 0.04 -1.26 -5.07 135.00 132.95 2kbg s PRO 97 Ca 0.80 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2kbg s PRO 97 Cb -1.11 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2kbg s PRO 97 CO 0.56 -1.07 0.00 -1.71 0.04 0.00 0.00 177.00 174.82 2kbg n ASN 98 N -2.89 0.00 -0.36 6.66 4.05 -1.26 -4.95 115.26 116.51 2kbg n ASN 98 Ca 0.08 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.17 2kbg n ASN 98 Cb 0.53 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.56 2kbg n ASN 98 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2kbg n ILE 99 N 0.00 0.00 0.00 -1.44 -5.35 -1.26 -4.84 119.36 106.47 2kbg n ILE 99 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2kbg n ILE 99 Cb 0.00 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 2kbg n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kbg n ILE 100 N 0.15 0.00 -3.58 7.28 0.13 -1.26 -5.04 119.36 117.03 2kbg n ILE 100 Ca 0.06 0.26 -0.09 0.00 -1.10 0.00 0.00 62.75 61.88 2kbg n ILE 100 Cb 0.27 -0.99 -0.05 0.00 -0.84 0.00 0.00 39.64 38.03 2kbg n ILE 100 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 2kbg s LYS 101 N 0.00 0.50 0.00 9.51 2.20 -1.26 -5.24 119.74 125.46 2kbg s LYS 101 Ca 0.00 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2kbg s LYS 101 Cb 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2kbg s LYS 101 CO 0.00 -0.16 0.00 -3.47 -0.36 0.00 0.00 175.35 171.36