#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 -0.83 -0.36 -0.14 1.02 -1.26 -3.34 120.64 115.72 2kbg n GLU 2 Ca 0.00 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 2kbg n GLU 2 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.46 2.09 -3.90 3.49 -0.04 -1.26 -3.75 135.00 132.08 2kbg n PRO 3 Ca -0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2kbg n PRO 3 Cb 0.44 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.00 0.01 0.96 3.54 0.15 -1.26 -4.97 113.70 111.13 2kbg s SER 4 Ca 0.00 -0.66 -0.12 0.00 0.70 0.00 0.00 55.95 55.86 2kbg s SER 4 Cb 0.00 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 2kbg s SER 4 CO 0.00 -0.96 0.65 -2.65 1.20 0.00 0.00 173.24 171.49 2kbg n PRO 5 N -0.73 -0.54 -0.86 5.44 -0.02 -1.26 -4.85 135.00 132.18 2kbg n PRO 5 Ca -0.02 -0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.16 2kbg n PRO 5 Cb 0.59 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.73 0.00 -2.64 0.52 -0.02 -1.26 -5.00 135.00 123.88 2kbg n PRO 6 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 2kbg n PRO 6 Cb 0.54 -0.99 0.13 0.00 -0.02 0.00 0.00 33.50 33.15 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 3.21 -1.45 -4.07 2.55 2.88 -1.26 -5.04 113.62 110.43 2kbg n SER 7 Ca -0.01 -2.21 -0.27 0.00 -1.33 0.00 0.00 58.87 55.05 2kbg n SER 7 Cb 0.36 0.68 -0.17 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.13 1.42 -0.17 2.46 -1.09 -1.26 -0.68 121.20 122.00 2kbg s ILE 8 Ca 0.09 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2kbg s ILE 8 Cb 0.44 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 40.08 2kbg s ILE 8 CO -0.13 0.42 -0.11 -1.00 -1.23 0.00 0.00 174.94 172.89 2kbg s HIS 9 N 0.68 2.24 0.01 3.97 3.76 -1.02 -4.94 115.29 119.98 2kbg s HIS 9 Ca -0.13 -1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 53.38 2kbg s HIS 9 Cb -0.16 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 2kbg s HIS 9 CO 0.04 -0.70 0.18 0.20 -0.85 0.00 0.00 174.74 173.61 2kbg s GLY 10 N 1.46 2.17 -0.09 -2.22 0.00 -1.26 -0.76 107.32 106.62 2kbg s GLY 10 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 2kbg s GLY 10 CO -0.09 -0.70 0.21 1.20 0.00 0.00 0.00 173.10 173.71 2kbg s GLN 11 N -2.06 0.18 -0.67 2.90 -1.52 -0.95 -4.96 119.66 112.58 2kbg s GLN 11 Ca 0.29 0.43 -0.27 0.00 -1.95 0.00 0.00 55.36 53.86 2kbg s GLN 11 Cb -0.13 -0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.58 2kbg s GLN 11 CO 0.21 -0.13 1.59 -1.25 -0.25 0.00 0.00 175.29 175.45 2kbg s PRO 12 N 0.98 2.90 0.75 2.91 0.04 -1.26 -1.35 135.00 139.96 2kbg s PRO 12 Ca -0.07 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 2kbg s PRO 12 Cb -0.09 -4.29 0.05 0.00 0.04 0.00 0.00 34.50 30.21 2kbg s PRO 12 CO -0.06 -2.45 1.13 -1.54 0.04 0.00 0.00 177.00 174.13 2kbg s SER 13 N 6.06 4.99 -0.44 6.66 1.04 -1.06 -4.80 113.70 126.15 2kbg s SER 13 Ca 0.53 0.95 -0.41 0.00 0.48 0.00 0.00 55.95 57.49 2kbg s SER 13 Cb -0.11 -1.60 -0.17 0.00 0.10 0.00 0.00 66.02 64.25 2kbg s SER 13 CO 0.18 -1.61 2.06 -1.54 0.98 0.00 0.00 173.24 173.31 2kbg n SER 14 N -3.15 1.35 0.00 7.02 3.41 -1.26 -4.46 113.62 116.53 2kbg n SER 14 Ca 0.07 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2kbg n SER 14 Cb 0.59 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 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 6.52 -1.70 0.00 5.00 0.00 -1.26 -4.54 105.19 109.21 2kbg n GLY 15 Ca 0.46 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.03 0.05 -2.08 1.61 5.02 -1.26 -4.83 118.16 116.65 2kbg n LYS 16 Ca 0.00 0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 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 -2.93 6.36 -0.14 4.39 1.04 -1.26 -4.17 113.70 116.99 2kbg s SER 17 Ca 0.12 2.63 0.02 0.00 0.48 0.00 0.00 55.95 59.21 2kbg s SER 17 Cb 0.15 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.63 2kbg s SER 17 CO 0.39 -0.81 -0.21 0.12 0.98 0.00 0.00 173.24 173.72 2kbg s PHE 18 N -1.26 2.68 -0.67 5.02 5.36 -1.21 -2.57 117.98 125.33 2kbg s PHE 18 Ca 0.56 -1.23 -0.23 0.00 -0.96 0.00 0.00 56.93 55.07 2kbg s PHE 18 Cb -0.38 -1.82 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 2kbg s PHE 18 CO 0.48 -0.55 1.02 0.21 -1.46 0.00 0.00 175.22 174.92 2kbg s LYS 19 N 0.74 3.13 -0.62 10.12 2.20 -0.46 -3.43 119.74 131.42 2kbg s LYS 19 Ca -0.08 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 2kbg s LYS 19 Cb -0.16 -4.21 0.13 0.00 -1.51 0.00 0.00 37.83 32.08 2kbg s LYS 19 CO 0.00 -1.86 0.67 -0.51 -0.36 0.00 0.00 175.35 173.29 2kbg s LEU 20 N 4.35 5.80 0.08 5.43 1.43 -1.06 -2.24 118.68 132.46 2kbg s LEU 20 Ca 0.25 -1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 51.30 2kbg s LEU 20 Cb -0.15 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 2kbg s LEU 20 CO 0.11 -0.96 1.31 -0.55 0.23 0.00 0.00 176.35 176.49 2kbg s SER 21 N 3.44 6.93 -0.41 2.29 0.15 0.06 -3.38 113.70 122.77 2kbg s SER 21 Ca 0.11 2.17 -0.20 0.00 0.70 0.00 0.00 55.95 58.73 2kbg s SER 21 Cb -0.23 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.51 2kbg s SER 21 CO 0.02 -0.59 0.61 -0.63 1.20 0.00 0.00 173.24 173.85 2kbg s ILE 22 N 1.27 4.88 -0.01 6.45 -1.09 -0.91 -2.44 121.20 129.35 2kbg s ILE 22 Ca 0.62 0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.91 2kbg s ILE 22 Cb -0.33 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2kbg s ILE 22 CO 0.29 -0.49 1.09 -0.89 -1.23 0.00 0.00 174.94 173.71 2kbg s THR 23 N 2.69 4.49 -0.53 2.92 2.01 0.14 -4.56 115.64 122.80 2kbg s THR 23 Ca 0.21 1.79 -0.28 0.00 0.31 0.00 0.00 61.69 63.72 2kbg s THR 23 Cb -0.15 -4.15 -0.15 0.00 0.01 0.00 0.00 72.50 68.07 2kbg s THR 23 CO 0.17 0.08 1.74 0.29 -0.69 0.00 0.00 174.62 176.22 2kbg n LYS 24 N 4.38 0.00 -2.81 4.92 4.01 -1.26 -4.82 118.16 122.58 2kbg n LYS 24 Ca 0.08 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.46 2kbg n LYS 24 Cb 0.48 -1.09 -0.04 0.00 -0.51 0.00 0.00 35.03 33.87 2kbg n LYS 24 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2kbg s GLN 25 N 5.36 4.09 0.05 1.97 -0.21 -1.26 -4.87 119.66 124.80 2kbg s GLN 25 Ca 0.93 0.91 0.02 0.00 0.02 0.00 0.00 55.36 57.24 2kbg s GLN 25 Cb -1.01 -3.70 0.11 0.00 1.00 0.00 0.00 33.01 29.41 2kbg s GLN 25 CO 0.42 -0.68 0.84 -3.47 -2.12 0.00 0.00 175.29 170.29 2kbg n ASP 26 N 6.33 0.05 -1.37 5.90 2.03 -1.26 -4.88 116.55 123.35 2kbg n ASP 26 Ca 0.07 0.31 0.17 0.00 0.52 0.00 0.00 54.79 55.87 2kbg n ASP 26 Cb 0.47 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 2kbg n ASP 26 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kbg n ASP 27 N -1.39 -7.99 -0.04 1.67 2.03 -1.26 -4.41 116.55 105.16 2kbg n ASP 27 Ca -0.00 0.85 -0.12 0.00 0.52 0.00 0.00 54.79 56.04 2kbg n ASP 27 Cb 0.26 -4.36 -0.06 0.00 -0.72 0.00 0.00 41.12 36.23 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 -1.34 0.23 0.00 0.27 0.00 -1.64 -3.44 103.07 97.14 2kbg h GLY 28 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2kbg h GLY 28 CO 0.04 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.33 2kbg n GLY 29 N -0.41 0.00 3.31 4.60 0.00 -1.26 -4.70 105.19 106.73 2kbg n GLY 29 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 0.46 4.61 0.00 -1.26 -5.06 121.76 119.53 2kbg s ALA 30 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 2kbg s ALA 30 Cb 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2kbg s ALA 30 CO 0.00 -0.35 1.16 -1.25 0.00 0.00 0.00 175.76 175.33 2kbg s PRO 31 N -1.77 3.74 -0.15 0.00 0.04 -1.26 -4.74 135.00 130.87 2kbg s PRO 31 Ca -0.10 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 2kbg s PRO 31 Cb -0.03 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2kbg s PRO 31 CO 0.02 -0.56 0.53 0.42 0.04 0.00 0.00 177.00 177.45 2kbg s ILE 32 N -1.55 5.13 -0.01 0.56 1.01 -1.26 -3.92 121.20 121.16 2kbg s ILE 32 Ca 0.64 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 62.10 2kbg s ILE 32 Cb -0.28 -3.86 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 2kbg s ILE 32 CO 0.34 0.25 1.09 -0.07 0.00 0.00 0.00 174.94 176.55 2kbg h LEU 33 N 7.26 0.45 -8.02 2.97 -0.00 -1.40 -3.40 115.31 113.18 2kbg h LEU 33 Ca -0.38 -0.76 -0.06 0.00 -0.00 0.00 0.00 57.88 56.69 2kbg h LEU 33 Cb 1.17 -0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.59 2kbg h LEU 33 CO 0.75 1.15 -0.12 -1.61 -0.00 0.00 0.00 178.44 178.61 2kbg s GLU 34 N -3.21 1.40 -0.17 1.13 2.02 -1.24 -2.62 118.70 116.01 2kbg s GLU 34 Ca -0.14 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 2kbg s GLU 34 Cb 0.03 0.46 -0.00 0.00 0.10 0.00 0.00 34.13 34.72 2kbg s GLU 34 CO 0.80 -0.57 -0.13 0.71 0.02 0.00 0.00 175.26 176.09 2kbg s TYR 35 N -3.96 2.83 -0.43 1.61 1.51 0.10 -1.36 117.35 117.65 2kbg s TYR 35 Ca 0.17 -1.00 -0.18 0.00 -1.01 0.00 0.00 57.07 55.05 2kbg s TYR 35 Cb 0.00 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2kbg s TYR 35 CO 0.03 -0.47 0.49 0.42 -1.11 0.00 0.00 175.55 174.91 2kbg s ILE 36 N 0.94 5.02 -0.16 2.71 1.01 0.99 -0.41 121.20 131.31 2kbg s ILE 36 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2kbg s ILE 36 Cb -0.15 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2kbg s ILE 36 CO -0.01 -0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 173.67 2kbg s VAL 37 N 2.30 3.47 -0.03 2.92 1.01 0.19 -1.02 120.40 129.24 2kbg s VAL 37 Ca 0.14 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2kbg s VAL 37 Cb -0.17 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2kbg s VAL 37 CO 0.14 0.49 -0.18 -0.54 0.00 0.00 0.00 175.10 175.02 2kbg s LYS 38 N 0.53 1.63 0.04 2.72 1.02 -0.16 0.12 119.74 125.65 2kbg s LYS 38 Ca -0.05 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 2kbg s LYS 38 Cb -0.15 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2kbg s LYS 38 CO 0.03 0.33 0.00 1.52 -0.92 0.00 0.00 175.35 176.32 2kbg s TYR 39 N -0.23 0.36 0.30 3.18 1.13 -1.01 0.38 117.35 121.47 2kbg s TYR 39 Ca 0.02 -0.77 -0.06 0.00 -1.41 0.00 0.00 57.07 54.86 2kbg s TYR 39 Cb -0.09 -0.27 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2kbg s TYR 39 CO 0.01 -0.32 0.46 -0.98 -2.51 0.00 0.00 175.55 172.20 2kbg s ARG 40 N -2.86 1.76 0.05 -3.49 1.70 -0.88 -1.37 118.95 113.84 2kbg s ARG 40 Ca -0.03 -1.59 -0.20 0.00 -0.47 0.00 0.00 55.73 53.43 2kbg s ARG 40 Cb 0.00 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 2kbg s ARG 40 CO -0.06 -0.72 0.60 -1.12 -1.08 0.00 0.00 175.30 172.92 2kbg s SER 41 N -3.16 7.06 0.32 -2.89 0.01 -1.26 -1.07 113.70 112.70 2kbg s SER 41 Ca 0.28 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.84 2kbg s SER 41 Cb 0.00 -2.38 0.54 0.00 0.21 0.00 0.00 66.02 64.39 2kbg s SER 41 CO 0.16 0.19 1.81 0.11 0.41 0.00 0.00 173.24 175.92 2kbg h LYS 42 N 5.02 0.47 0.00 12.44 1.57 -1.70 -2.24 116.57 132.13 2kbg h LYS 42 Ca -0.47 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2kbg h LYS 42 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2kbg h LYS 42 CO 0.66 0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 179.89 2kbg n ASP 43 N -4.21 0.11 -4.08 0.86 9.92 -1.26 -4.63 116.55 113.26 2kbg n ASP 43 Ca 0.00 0.55 -0.08 0.00 -0.53 0.00 0.00 54.79 54.73 2kbg n ASP 43 Cb 0.32 -0.56 -0.10 0.00 -0.64 0.00 0.00 41.12 40.14 2kbg n ASP 43 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kbg s LYS 44 N -3.10 0.71 -0.36 -1.24 1.02 -0.84 -5.09 119.74 110.84 2kbg s LYS 44 Ca 0.01 -1.24 0.13 0.00 0.02 0.00 0.00 55.97 54.89 2kbg s LYS 44 Cb 0.02 0.23 0.41 0.00 -0.52 0.00 0.00 37.83 37.98 2kbg s LYS 44 CO 0.07 -0.16 1.10 0.39 -0.92 0.00 0.00 175.35 175.83 2kbg n GLU 45 N 0.04 1.14 0.00 1.68 1.02 -1.26 -4.52 120.64 118.74 2kbg n GLU 45 Ca -0.12 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.40 2kbg n GLU 45 Cb 0.62 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.21 0.00 -3.95 1.62 2.03 -1.26 -5.09 116.55 109.70 2kbg n ASP 46 Ca 0.05 -1.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.24 2kbg n ASP 46 Cb 0.81 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.08 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 -0.00 0.25 -0.15 -0.67 -1.52 -1.26 -5.14 119.66 111.17 2kbg s GLN 47 Ca 0.00 -0.31 -0.04 0.00 -1.95 0.00 0.00 55.36 53.06 2kbg s GLN 47 Cb 0.00 -0.10 0.06 0.00 -0.22 0.00 0.00 33.01 32.75 2kbg s GLN 47 CO 0.00 0.02 0.12 -1.58 -0.25 0.00 0.00 175.29 173.60 2kbg s TRP 48 N -0.61 0.04 0.67 0.91 0.52 -1.26 -4.63 118.94 114.58 2kbg s TRP 48 Ca -0.05 -0.04 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 2kbg s TRP 48 Cb -0.05 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.71 2kbg s TRP 48 CO -0.00 -0.47 1.05 -0.51 0.02 0.00 0.00 176.95 177.04 2kbg s LEU 49 N 2.20 3.17 0.13 2.99 1.43 -0.47 -4.87 118.68 123.26 2kbg s LEU 49 Ca 0.04 1.56 0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2kbg s LEU 49 Cb -0.15 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 2kbg s LEU 49 CO -0.09 -1.27 -0.26 -1.83 0.23 0.00 0.00 176.35 173.13 2kbg s GLU 50 N -5.06 1.44 -0.23 1.70 -1.05 -1.26 -2.41 118.70 111.83 2kbg s GLU 50 Ca 0.57 -1.35 -0.05 0.00 -0.15 0.00 0.00 54.97 54.00 2kbg s GLU 50 Cb -0.13 -1.91 0.12 0.00 -0.44 0.00 0.00 34.13 31.77 2kbg s GLU 50 CO 0.54 0.45 0.43 0.21 0.95 0.00 0.00 175.26 177.84 2kbg s LYS 51 N -2.12 0.37 0.04 -4.83 2.47 0.33 -4.96 119.74 111.05 2kbg s LYS 51 Ca 0.15 0.83 -0.09 0.00 -1.56 0.00 0.00 55.97 55.30 2kbg s LYS 51 Cb -0.10 0.03 -0.05 0.00 -1.46 0.00 0.00 37.83 36.24 2kbg s LYS 51 CO 0.07 -0.46 0.35 0.15 0.16 0.00 0.00 175.35 175.62 2kbg s LYS 52 N 2.63 3.71 0.07 4.03 -0.14 -1.26 0.52 119.74 129.30 2kbg s LYS 52 Ca 0.07 0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 2kbg s LYS 52 Cb -0.14 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 2kbg s LYS 52 CO -0.15 0.61 -0.05 0.08 -0.76 0.00 0.00 175.35 175.08 2kbg s VAL 53 N -1.33 0.43 0.33 3.17 1.01 0.45 -4.95 120.40 119.50 2kbg s VAL 53 Ca 0.30 -1.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.23 2kbg s VAL 53 Cb -0.14 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 2kbg s VAL 53 CO 0.17 -0.90 0.98 -1.58 0.00 0.00 0.00 175.10 173.77 2kbg s GLN 54 N -3.66 4.53 0.60 2.72 2.00 -1.26 0.01 119.66 124.60 2kbg s GLN 54 Ca 0.07 1.43 0.30 0.00 -2.00 0.00 0.00 55.36 55.17 2kbg s GLN 54 Cb 0.05 -2.84 1.81 0.00 0.80 0.00 0.00 33.01 32.84 2kbg s GLN 54 CO -0.07 0.21 2.22 0.78 -0.50 0.00 0.00 175.29 177.93 2kbg h GLY 55 N 3.20 0.00 0.47 2.59 0.00 -1.71 -1.04 103.07 106.59 2kbg h GLY 55 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2kbg h GLY 55 CO 0.65 0.00 -0.94 0.70 0.00 0.00 0.00 176.54 176.95 2kbg n ASN 56 N -3.78 0.68 -0.12 0.19 4.13 -1.26 -4.29 115.26 110.81 2kbg n ASN 56 Ca -0.02 -0.47 -0.10 0.00 1.68 0.00 0.00 54.58 55.68 2kbg n ASN 56 Cb 0.15 0.79 -0.02 0.00 -1.54 0.00 0.00 39.78 39.16 2kbg n ASN 56 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2kbg h LYS 57 N 0.00 0.55 -6.34 3.52 1.57 -1.56 -3.46 116.57 110.85 2kbg h LYS 57 Ca 0.00 -0.12 -0.49 0.00 -1.87 0.00 0.00 60.65 58.17 2kbg h LYS 57 Cb 0.61 -0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.68 2kbg h LYS 57 CO 0.00 0.58 -0.74 -0.40 -0.57 0.00 0.00 179.45 178.32 2kbg n ASP 58 N -4.64 -3.52 -3.64 0.86 5.68 -1.24 -4.89 116.55 105.16 2kbg n ASP 58 Ca -0.01 -0.80 -0.02 0.00 -0.50 0.00 0.00 54.79 53.46 2kbg n ASP 58 Cb 0.17 -2.88 -0.03 0.00 -1.14 0.00 0.00 41.12 37.24 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 -3.16 -0.03 -0.02 2.11 -3.43 -1.26 -2.15 115.29 107.36 2kbg s HIS 59 Ca 0.64 0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 54.71 2kbg s HIS 59 Cb -0.34 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.35 2kbg s HIS 59 CO 0.79 -0.03 0.50 0.96 -2.00 0.00 0.00 174.74 174.95 2kbg s ILE 60 N -1.44 0.03 -0.28 -5.38 -4.36 -1.22 -4.92 121.20 103.64 2kbg s ILE 60 Ca 0.10 -0.24 0.02 0.00 -0.26 0.00 0.00 60.65 60.26 2kbg s ILE 60 Cb -0.01 -0.85 0.06 0.00 1.25 0.00 0.00 42.46 42.91 2kbg s ILE 60 CO -0.06 -0.13 -0.07 -0.63 0.24 0.00 0.00 174.94 174.29 2kbg s ILE 61 N -1.48 2.43 -0.49 8.37 -1.09 -1.26 -2.58 121.20 125.10 2kbg s ILE 61 Ca -0.11 -1.59 -0.19 0.00 -2.23 0.00 0.00 60.65 56.53 2kbg s ILE 61 Cb -0.02 -2.44 0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2kbg s ILE 61 CO 0.06 -0.08 0.59 -0.76 -1.23 0.00 0.00 174.94 173.51 2kbg s LEU 62 N 1.14 4.98 0.33 2.97 1.43 -1.22 -4.95 118.68 123.35 2kbg s LEU 62 Ca -0.07 -0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 2kbg s LEU 62 Cb -0.20 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2kbg s LEU 62 CO -0.04 -0.83 0.78 -0.70 0.23 0.00 0.00 176.35 175.78 2kbg s GLU 63 N 2.52 4.08 -0.02 1.70 2.56 -1.26 -3.28 118.70 125.00 2kbg s GLU 63 Ca 0.14 0.78 -0.00 0.00 0.00 0.00 0.00 54.97 55.90 2kbg s GLU 63 Cb -0.19 -2.45 0.00 0.00 2.00 0.00 0.00 34.13 33.49 2kbg s GLU 63 CO 0.12 0.15 0.02 1.58 -0.56 0.00 0.00 175.26 176.58 2kbg n HIS 64 N -0.27 -0.09 -3.75 5.30 -0.00 -1.26 -4.98 115.22 110.17 2kbg n HIS 64 Ca 0.03 0.03 -0.28 0.00 0.46 0.00 0.00 57.72 57.97 2kbg n HIS 64 Cb 0.53 -1.58 -0.12 0.00 -0.12 0.00 0.00 29.99 28.71 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 -1.99 3.70 0.21 0.27 1.43 -1.26 -5.04 118.68 116.00 2kbg s LEU 65 Ca 0.00 -3.51 -0.24 0.00 -1.03 0.00 0.00 54.13 49.35 2kbg s LEU 65 Cb -0.00 -1.26 -0.15 0.00 0.03 0.00 0.00 46.19 44.81 2kbg s LEU 65 CO 0.02 -0.13 0.41 1.67 0.23 0.00 0.00 176.35 178.56 2kbg n GLN 66 N 2.38 0.00 0.18 1.70 7.27 -1.26 -4.82 117.38 122.82 2kbg n GLN 66 Ca 0.21 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.30 2kbg n GLN 66 Cb 0.38 -0.91 0.32 0.00 2.41 0.00 0.00 30.24 32.45 2kbg n GLN 66 CO 0.00 0.00 0.00 -1.49 0.07 0.00 0.00 177.06 175.64 2kbg h TRP 67 N 0.82 0.00 -0.58 3.69 4.06 -1.92 -3.05 115.95 118.97 2kbg h TRP 67 Ca -0.27 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.59 2kbg h TRP 67 Cb 1.30 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.41 2kbg h TRP 67 CO 0.36 0.42 0.12 0.25 -3.56 0.00 0.00 178.44 176.04 2kbg n THR 68 N -3.97 2.51 -3.71 1.49 -2.24 -1.26 -4.06 114.28 103.04 2kbg n THR 68 Ca -0.02 -1.31 -0.12 0.00 -2.27 0.00 0.00 64.05 60.34 2kbg n THR 68 Cb 0.46 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.60 0.25 0.75 -0.78 -1.94 -1.15 -5.05 119.30 108.77 2kbg s MET 69 Ca 0.48 0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 54.98 2kbg s MET 69 Cb 0.37 -0.08 0.05 0.00 2.01 0.00 0.00 34.83 37.18 2kbg s MET 69 CO 0.13 -0.18 1.12 0.20 -0.01 0.00 0.00 175.02 176.29 2kbg s GLY 70 N 1.46 1.61 -0.07 -0.03 0.00 -1.26 -4.14 107.32 104.89 2kbg s GLY 70 Ca -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 2kbg s GLY 70 CO -0.10 -0.11 0.17 -0.19 0.00 0.00 0.00 173.10 172.87 2kbg s TYR 71 N -3.44 -0.19 0.22 1.90 1.51 -1.22 -1.75 117.35 114.38 2kbg s TYR 71 Ca 0.60 0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 57.10 2kbg s TYR 71 Cb -0.11 -0.02 -0.07 0.00 -0.11 0.00 0.00 41.96 41.65 2kbg s TYR 71 CO 0.50 -0.16 0.51 -1.21 -1.11 0.00 0.00 175.55 174.08 2kbg s GLU 72 N 0.90 3.73 -0.04 -0.62 2.02 -0.23 -3.82 118.70 120.65 2kbg s GLU 72 Ca -0.07 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2kbg s GLU 72 Cb -0.09 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.46 2kbg s GLU 72 CO -0.05 0.33 -0.08 0.08 0.02 0.00 0.00 175.26 175.56 2kbg s VAL 73 N -1.82 0.78 -0.25 2.63 1.01 0.14 -2.08 120.40 120.81 2kbg s VAL 73 Ca 0.45 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2kbg s VAL 73 Cb -0.11 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2kbg s VAL 73 CO 0.23 0.26 -0.08 -1.58 0.00 0.00 0.00 175.10 173.93 2kbg s GLN 74 N 0.50 1.92 -0.18 2.72 0.74 0.16 0.21 119.66 125.73 2kbg s GLN 74 Ca -0.08 -1.18 -0.11 0.00 0.05 0.00 0.00 55.36 54.04 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 0.01 -0.59 0.19 0.42 -0.55 0.00 0.00 175.29 174.77 2kbg s ILE 75 N 1.25 5.38 -0.08 -2.34 1.09 0.12 -0.98 121.20 125.64 2kbg s ILE 75 Ca -0.07 0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.78 2kbg s ILE 75 Cb -0.19 -3.52 0.03 0.00 -1.06 0.00 0.00 42.46 37.71 2kbg s ILE 75 CO -0.06 0.44 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.33 2kbg s THR 76 N 0.24 0.47 -0.16 2.92 2.01 -0.19 0.62 115.64 121.55 2kbg s THR 76 Ca 0.12 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 2kbg s THR 76 Cb -0.12 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 2kbg s THR 76 CO 0.01 0.27 0.58 0.00 -0.69 0.00 0.00 174.62 174.79 2kbg s ALA 77 N 1.90 3.50 -0.38 7.40 0.00 -1.22 -0.00 121.76 132.96 2kbg s ALA 77 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2kbg s ALA 77 Cb -0.12 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.16 2kbg s ALA 77 CO -0.05 -0.35 0.22 0.00 0.00 0.00 0.00 175.76 175.58 2kbg s ALA 78 N 1.41 3.31 0.08 0.00 0.00 -0.47 -0.59 121.76 125.51 2kbg s ALA 78 Ca 0.28 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2kbg s ALA 78 Cb -0.16 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2kbg s ALA 78 CO 0.11 -1.40 0.03 0.27 0.00 0.00 0.00 175.76 174.76 2kbg n ASN 79 N 5.02 1.84 -0.47 0.00 2.04 -1.25 -0.94 115.26 121.50 2kbg n ASN 79 Ca -0.12 -1.33 0.39 0.00 -0.44 0.00 0.00 54.58 53.08 2kbg n ASN 79 Cb 0.46 0.03 0.67 0.00 -2.53 0.00 0.00 39.78 38.42 2kbg n ASN 79 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2kbg h ARG 80 N 0.00 0.07 -0.71 -3.83 2.43 -1.85 2.33 114.38 112.81 2kbg h ARG 80 Ca -0.06 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2kbg h ARG 80 Cb 0.20 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2kbg h ARG 80 CO 0.10 0.04 0.21 -0.07 -1.51 0.00 0.00 179.97 178.75 2kbg h LEU 81 N 0.07 1.04 0.00 3.80 -0.00 -1.93 -3.47 115.31 114.82 2kbg h LEU 81 Ca 0.83 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.49 2kbg h LEU 81 Cb 2.71 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 43.10 2kbg h LEU 81 CO -0.36 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 179.67 2kbg n GLY 82 N -0.73 3.19 3.47 0.83 0.00 0.78 -5.02 105.19 107.72 2kbg n GLY 82 Ca 0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.73 0.02 1.61 1.51 -1.26 -3.96 117.35 114.55 2kbg s TYR 83 Ca 0.00 1.63 -0.28 0.00 -1.01 0.00 0.00 57.07 57.41 2kbg s TYR 83 Cb 0.00 0.33 0.09 0.00 -0.11 0.00 0.00 41.96 42.26 2kbg s TYR 83 CO 0.00 -0.36 0.75 0.45 -1.11 0.00 0.00 175.55 175.27 2kbg s SER 84 N 0.85 -0.51 -1.29 2.29 0.15 0.24 -4.43 113.70 111.01 2kbg s SER 84 Ca -0.04 0.25 -0.18 0.00 0.70 0.00 0.00 55.95 56.68 2kbg s SER 84 Cb -0.05 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2kbg s SER 84 CO -0.07 -0.70 0.55 1.21 1.20 0.00 0.00 173.24 175.43 2kbg n GLU 85 N 0.15 -1.34 -1.91 5.44 2.13 -1.26 -3.38 120.64 120.46 2kbg n GLU 85 Ca -0.15 0.27 -0.33 0.00 0.66 0.00 0.00 57.16 57.61 2kbg n GLU 85 Cb 0.61 -3.62 0.03 0.00 0.27 0.00 0.00 31.44 28.73 2kbg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2kbg s PRO 86 N -6.79 3.08 -0.10 5.31 0.04 -1.26 -4.55 135.00 130.73 2kbg s PRO 86 Ca 0.30 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 2kbg s PRO 86 Cb -0.14 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2kbg s PRO 86 CO 0.92 -1.01 -0.07 0.99 0.04 0.00 0.00 177.00 177.88 2kbg s THR 87 N -2.41 0.93 -0.71 1.26 2.01 0.20 -4.82 115.64 112.09 2kbg s THR 87 Ca 0.65 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 2kbg s THR 87 Cb -0.18 -0.96 0.17 0.00 0.01 0.00 0.00 72.50 71.54 2kbg s THR 87 CO 0.39 0.35 0.69 0.68 -0.69 0.00 0.00 174.62 176.04 2kbg s VAL 88 N 1.63 5.34 -0.24 3.82 -7.23 -1.26 0.14 120.40 122.61 2kbg s VAL 88 Ca 0.03 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 2kbg s VAL 88 Cb -0.13 -4.45 -0.05 0.00 0.56 0.00 0.00 36.38 32.31 2kbg s VAL 88 CO -0.07 -1.02 0.16 -0.47 -0.31 0.00 0.00 175.10 173.40 2kbg s TYR 89 N 1.06 3.32 -0.07 2.82 5.04 0.13 -4.98 117.35 124.68 2kbg s TYR 89 Ca 0.13 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 2kbg s TYR 89 Cb -0.18 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.87 2kbg s TYR 89 CO -0.03 0.08 -0.15 -1.83 -1.34 0.00 0.00 175.55 172.28 2kbg s GLU 90 N 1.02 1.94 -0.28 4.97 -1.05 -1.26 0.28 118.70 124.31 2kbg s GLU 90 Ca 0.08 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 54.19 2kbg s GLU 90 Cb -0.13 -1.57 0.10 0.00 -0.44 0.00 0.00 34.13 32.09 2kbg s GLU 90 CO 0.04 0.07 0.83 -0.59 0.95 0.00 0.00 175.26 176.56 2kbg s PHE 91 N 0.56 -0.77 0.69 4.83 -0.71 -1.25 -5.04 117.98 116.30 2kbg s PHE 91 Ca -0.15 1.66 -0.11 0.00 -1.04 0.00 0.00 56.93 57.30 2kbg s PHE 91 Cb -0.16 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 42.10 2kbg s PHE 91 CO 0.05 -0.38 1.08 -1.54 -1.34 0.00 0.00 175.22 173.09 2kbg s SER 92 N 1.01 5.47 0.08 1.98 1.04 -1.26 -3.37 113.70 118.66 2kbg s SER 92 Ca -0.05 1.10 -0.09 0.00 0.48 0.00 0.00 55.95 57.39 2kbg s SER 92 Cb -0.05 -1.92 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 2kbg s SER 92 CO -0.11 -1.31 0.38 -0.04 0.98 0.00 0.00 173.24 173.14 2kbg s MET 93 N -5.32 3.72 0.80 4.02 -1.94 -1.26 -4.90 119.30 114.41 2kbg s MET 93 Ca 0.58 0.11 -0.11 0.00 -1.71 0.00 0.00 55.69 54.55 2kbg s MET 93 Cb -0.11 -2.98 0.07 0.00 2.01 0.00 0.00 34.83 33.82 2kbg s MET 93 CO 0.51 0.56 1.09 -1.25 -0.01 0.00 0.00 175.02 175.92 2kbg s PRO 94 N -2.00 2.09 0.70 2.03 0.04 -1.26 -4.71 135.00 131.89 2kbg s PRO 94 Ca 0.33 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 2kbg s PRO 94 Cb -0.14 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2kbg s PRO 94 CO 0.19 -1.66 1.15 -1.25 0.04 0.00 0.00 177.00 175.47 2kbg s PRO 95 N -5.07 2.43 0.06 0.56 0.04 -1.26 -4.50 135.00 127.27 2kbg s PRO 95 Ca 0.61 1.55 -0.37 0.00 0.04 0.00 0.00 61.00 62.83 2kbg s PRO 95 Cb -0.15 -1.89 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 2kbg s PRO 95 CO 0.55 -1.57 0.93 1.17 0.04 0.00 0.00 177.00 178.12 2kbg n LYS 96 N -2.65 0.05 -1.99 4.56 3.00 -1.26 -4.90 118.16 114.97 2kbg n LYS 96 Ca 0.12 0.02 -0.33 0.00 -0.00 0.00 0.00 58.31 58.12 2kbg n LYS 96 Cb 0.51 -1.39 0.02 0.00 0.00 0.00 0.00 35.03 34.17 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 -0.27 3.24 0.00 1.64 0.04 -1.26 -5.03 135.00 133.37 2kbg s PRO 97 Ca 0.83 1.21 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kbg s PRO 97 Cb -1.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2kbg s PRO 97 CO 0.56 -0.87 0.00 -1.71 0.04 0.00 0.00 177.00 175.02 2kbg n ASN 98 N -2.13 0.00 0.00 6.66 2.85 -1.26 -5.01 115.26 116.36 2kbg n ASN 98 Ca 0.09 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2kbg n ASN 98 Cb 0.53 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.32 2kbg n ASN 98 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbg n ILE 99 N -1.21 0.00 -1.24 -1.44 3.06 -1.26 -5.13 119.36 112.14 2kbg n ILE 99 Ca 0.00 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.88 2kbg n ILE 99 Cb 0.00 -0.17 0.04 0.00 0.54 0.00 0.00 39.64 40.04 2kbg n ILE 99 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2kbg n ILE 100 N -2.34 0.88 -0.56 9.51 3.06 -1.26 -4.89 119.36 123.76 2kbg n ILE 100 Ca 0.00 -0.47 -0.24 0.00 -2.50 0.00 0.00 62.75 59.54 2kbg n ILE 100 Cb 0.00 -0.33 0.17 0.00 0.54 0.00 0.00 39.64 40.01 2kbg n ILE 100 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2kbg n LYS 101 N 0.72 -2.24 -0.50 9.51 4.76 -1.26 -5.07 118.16 124.08 2kbg n LYS 101 Ca 0.08 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.86 2kbg n LYS 101 Cb 0.49 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2kbg n LYS 101 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56