#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 -0.34 5.56 4.07 -1.26 -4.56 120.64 124.11 2kbg n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kbg n GLU 2 Cb 0.00 -0.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 2kbg n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kbg n PRO 3 N 3.78 2.27 -3.69 5.31 -0.04 -1.26 -4.32 135.00 137.05 2kbg n PRO 3 Ca 0.32 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 2kbg n PRO 3 Cb 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2kbg n PRO 3 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2kbg s SER 4 N -1.00 -0.22 0.87 3.54 1.04 -1.26 -4.98 113.70 111.69 2kbg s SER 4 Ca 0.00 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 2kbg s SER 4 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2kbg s SER 4 CO 0.00 -0.82 0.08 -2.65 0.98 0.00 0.00 173.24 170.83 2kbg n PRO 5 N -0.42 -0.04 -0.76 4.02 -0.02 -1.26 -4.91 135.00 131.61 2kbg n PRO 5 Ca -0.07 0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.27 2kbg n PRO 5 Cb 0.61 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.11 0.00 -2.62 0.52 -0.02 -1.26 -5.00 135.00 126.50 2kbg n PRO 6 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 2kbg n PRO 6 Cb 0.53 -0.87 0.10 0.00 -0.02 0.00 0.00 33.50 33.23 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 2.82 -1.58 -3.98 2.55 2.88 -1.26 -5.07 113.62 109.98 2kbg n SER 7 Ca -0.01 -2.21 -0.27 0.00 -1.33 0.00 0.00 58.87 55.06 2kbg n SER 7 Cb 0.32 0.88 -0.17 0.00 -0.75 0.00 0.00 64.21 64.48 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 1.21 -0.24 2.46 -1.09 -1.26 -1.28 121.20 121.14 2kbg s ILE 8 Ca 0.15 -0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 2kbg s ILE 8 Cb 0.34 -1.15 0.02 0.00 -1.58 0.00 0.00 42.46 40.09 2kbg s ILE 8 CO -0.09 0.39 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.95 2kbg s HIS 9 N 1.29 3.02 -0.03 3.97 3.76 -1.15 -4.94 115.29 121.22 2kbg s HIS 9 Ca -0.02 -1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 53.35 2kbg s HIS 9 Cb -0.14 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 2kbg s HIS 9 CO -0.04 -0.70 0.30 0.20 -0.85 0.00 0.00 174.74 173.65 2kbg s GLY 10 N 1.36 2.34 -0.01 -2.22 0.00 -1.26 -1.35 107.32 106.17 2kbg s GLY 10 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2kbg s GLY 10 CO -0.05 -0.12 0.01 1.20 0.00 0.00 0.00 173.10 174.14 2kbg s GLN 11 N -1.24 0.02 -1.02 2.90 -0.21 -0.43 -4.95 119.66 114.71 2kbg s GLN 11 Ca 0.22 0.09 -0.23 0.00 0.02 0.00 0.00 55.36 55.47 2kbg s GLN 11 Cb -0.14 -0.17 0.01 0.00 1.00 0.00 0.00 33.01 33.71 2kbg s GLN 11 CO 0.11 -0.09 1.67 -1.25 -2.12 0.00 0.00 175.29 173.62 2kbg s PRO 12 N 0.59 3.23 1.20 2.91 0.04 -1.26 -0.54 135.00 141.16 2kbg s PRO 12 Ca -0.05 -0.95 -0.20 0.00 0.04 0.00 0.00 61.00 59.83 2kbg s PRO 12 Cb -0.07 -5.28 0.30 0.00 0.04 0.00 0.00 34.50 29.49 2kbg s PRO 12 CO -0.02 -2.71 1.00 -1.13 0.04 0.00 0.00 177.00 174.19 2kbg n SER 13 N 10.84 -2.36 -4.65 6.66 3.41 -1.11 -4.83 113.62 121.57 2kbg n SER 13 Ca 0.38 -1.09 -0.47 0.00 -0.26 0.00 0.00 58.87 57.43 2kbg n SER 13 Cb 0.49 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 2kbg n SER 13 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kbg n SER 14 N -4.92 3.42 0.00 4.04 7.64 -1.26 -4.57 113.62 117.97 2kbg n SER 14 Ca 0.14 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2kbg n SER 14 Cb 0.56 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 4.74 -1.76 0.00 0.23 0.00 -1.26 -4.40 105.19 102.75 2kbg n GLY 15 Ca 0.25 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 0.36 -2.02 1.61 5.02 -1.26 -4.84 118.16 117.03 2kbg n LYS 16 Ca 0.00 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2kbg n LYS 16 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.58 5.27 -0.17 4.39 1.04 -1.26 -4.23 113.70 116.17 2kbg s SER 17 Ca 0.24 2.28 -0.00 0.00 0.48 0.00 0.00 55.95 58.95 2kbg s SER 17 Cb 0.17 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.75 2kbg s SER 17 CO 0.40 -1.53 -0.06 0.12 0.98 0.00 0.00 173.24 173.14 2kbg s PHE 18 N -1.75 1.80 -0.46 5.02 5.36 -1.21 -2.77 117.98 123.98 2kbg s PHE 18 Ca 0.75 -1.15 -0.29 0.00 -0.96 0.00 0.00 56.93 55.28 2kbg s PHE 18 Cb -0.27 -1.36 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2kbg s PHE 18 CO 0.33 -0.63 1.29 0.21 -1.46 0.00 0.00 175.22 174.96 2kbg s LYS 19 N 1.60 3.61 -0.48 10.12 2.20 0.30 -3.88 119.74 133.21 2kbg s LYS 19 Ca 0.01 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.22 2kbg s LYS 19 Cb -0.15 -3.98 0.11 0.00 -1.51 0.00 0.00 37.83 32.30 2kbg s LYS 19 CO -0.08 -1.52 0.38 -0.51 -0.36 0.00 0.00 175.35 173.26 2kbg s LEU 20 N 5.07 5.76 -0.07 5.43 1.43 -1.01 -1.32 118.68 133.98 2kbg s LEU 20 Ca 0.55 -1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.59 2kbg s LEU 20 Cb -0.10 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2kbg s LEU 20 CO 0.32 -0.72 1.38 -0.55 0.23 0.00 0.00 176.35 177.01 2kbg s SER 21 N 2.86 6.87 -0.38 2.29 0.15 -0.46 -3.03 113.70 122.01 2kbg s SER 21 Ca 0.04 1.97 -0.23 0.00 0.70 0.00 0.00 55.95 58.43 2kbg s SER 21 Cb -0.27 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.51 2kbg s SER 21 CO 0.02 -0.75 0.80 -0.63 1.20 0.00 0.00 173.24 173.87 2kbg s ILE 22 N 3.03 4.70 -0.11 6.45 -1.09 -0.60 -2.91 121.20 130.66 2kbg s ILE 22 Ca 0.62 0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 59.61 2kbg s ILE 22 Cb -0.28 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 2kbg s ILE 22 CO 0.23 -0.51 0.74 -0.89 -1.23 0.00 0.00 174.94 173.28 2kbg s THR 23 N 3.18 4.99 -0.65 2.92 2.01 -0.41 -4.52 115.64 123.17 2kbg s THR 23 Ca 0.32 1.48 -0.36 0.00 0.31 0.00 0.00 61.69 63.44 2kbg s THR 23 Cb -0.13 -4.06 -0.17 0.00 0.01 0.00 0.00 72.50 68.15 2kbg s THR 23 CO 0.18 0.16 2.38 0.29 -0.69 0.00 0.00 174.62 176.95 2kbg n LYS 24 N 4.39 0.33 -2.00 4.92 4.01 -1.26 -4.88 118.16 123.67 2kbg n LYS 24 Ca 0.01 0.06 -0.31 0.00 -0.51 0.00 0.00 58.31 57.56 2kbg n LYS 24 Cb 0.50 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 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 7.36 3.63 -1.29 1.97 -0.21 -1.26 -4.94 119.66 124.92 2kbg s GLN 25 Ca 1.21 0.72 -0.18 0.00 0.02 0.00 0.00 55.36 57.13 2kbg s GLN 25 Cb -1.15 -2.11 0.04 0.00 1.00 0.00 0.00 33.01 30.79 2kbg s GLN 25 CO 0.52 -0.50 1.83 -0.25 -2.12 0.00 0.00 175.29 174.77 2kbg n ASP 26 N -2.57 4.50 -3.85 5.90 9.92 -1.26 -4.95 116.55 124.24 2kbg n ASP 26 Ca 0.06 -2.87 -0.35 0.00 -0.53 0.00 0.00 54.79 51.09 2kbg n ASP 26 Cb 0.54 -1.72 0.04 0.00 -0.64 0.00 0.00 41.12 39.33 2kbg n ASP 26 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kbg n ASP 27 N 8.95 -5.18 -0.30 -2.24 2.03 -1.26 -4.53 116.55 114.01 2kbg n ASP 27 Ca 0.49 0.14 0.06 0.00 0.52 0.00 0.00 54.79 55.99 2kbg n ASP 27 Cb 0.45 -0.68 0.21 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.96 1.36 0.00 0.27 0.00 -1.80 -3.43 103.07 98.51 2kbg h GLY 28 Ca -0.41 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2kbg h GLY 28 CO 0.22 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.40 2kbg n GLY 29 N -1.32 0.00 3.34 4.60 0.00 -1.26 -2.88 105.19 107.66 2kbg n GLY 29 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.11 0.40 4.61 0.00 -1.26 -5.08 121.76 119.32 2kbg s ALA 30 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 2kbg s ALA 30 Cb 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.18 2kbg s ALA 30 CO 0.00 -0.35 1.21 -1.25 0.00 0.00 0.00 175.76 175.37 2kbg s PRO 31 N -1.66 4.02 -0.01 0.00 0.04 -1.26 -4.78 135.00 131.36 2kbg s PRO 31 Ca -0.10 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 2kbg s PRO 31 Cb -0.03 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 2kbg s PRO 31 CO 0.04 -0.38 0.55 0.42 0.04 0.00 0.00 177.00 177.67 2kbg s ILE 32 N -1.36 4.94 -0.14 0.56 1.01 -1.26 -4.11 121.20 120.84 2kbg s ILE 32 Ca 0.57 1.15 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 2kbg s ILE 32 Cb -0.33 -3.88 -0.26 0.00 0.01 0.00 0.00 42.46 38.00 2kbg s ILE 32 CO 0.42 0.44 0.68 -0.07 0.00 0.00 0.00 174.94 176.42 2kbg h LEU 33 N 5.53 0.08 -7.95 2.97 3.38 -1.75 -3.41 115.31 114.16 2kbg h LEU 33 Ca -0.46 -0.91 -0.10 0.00 0.09 0.00 0.00 57.88 56.51 2kbg h LEU 33 Cb 1.20 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2kbg h LEU 33 CO 0.69 1.16 -0.38 -1.61 0.09 0.00 0.00 178.44 178.39 2kbg s GLU 34 N -2.28 0.94 -0.23 1.13 2.02 -1.25 -1.42 118.70 117.60 2kbg s GLU 34 Ca -0.20 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 53.67 2kbg s GLU 34 Cb -0.01 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.55 2kbg s GLU 34 CO 0.70 -0.31 0.00 0.71 0.02 0.00 0.00 175.26 176.38 2kbg s TYR 35 N -3.91 3.01 -0.48 1.61 2.02 0.12 -2.13 117.35 117.58 2kbg s TYR 35 Ca 0.10 -0.71 -0.20 0.00 -0.37 0.00 0.00 57.07 55.90 2kbg s TYR 35 Cb 0.05 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 2kbg s TYR 35 CO -0.07 -0.46 0.63 0.42 -1.57 0.00 0.00 175.55 174.50 2kbg s ILE 36 N 1.52 4.85 -0.18 2.71 1.01 0.10 -0.56 121.20 130.66 2kbg s ILE 36 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 2kbg s ILE 36 Cb -0.15 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2kbg s ILE 36 CO -0.00 -0.72 -0.02 -0.69 0.00 0.00 0.00 174.94 173.50 2kbg s VAL 37 N 2.71 3.88 -0.08 2.92 1.01 0.18 -1.16 120.40 129.85 2kbg s VAL 37 Ca 0.18 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kbg s VAL 37 Cb -0.17 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2kbg s VAL 37 CO 0.15 0.46 -0.17 -0.54 0.00 0.00 0.00 175.10 175.00 2kbg s LYS 38 N 0.70 2.24 0.05 2.72 1.02 -0.41 0.16 119.74 126.22 2kbg s LYS 38 Ca -0.01 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.42 2kbg s LYS 38 Cb -0.14 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2kbg s LYS 38 CO 0.02 0.06 -0.11 1.52 -0.92 0.00 0.00 175.35 175.92 2kbg s TYR 39 N 0.61 0.95 0.18 3.18 1.13 -1.02 -0.15 117.35 122.23 2kbg s TYR 39 Ca -0.15 -0.43 -0.06 0.00 -1.41 0.00 0.00 57.07 55.02 2kbg s TYR 39 Cb -0.16 -0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 40.12 2kbg s TYR 39 CO 0.05 -0.01 0.23 -0.98 -2.51 0.00 0.00 175.55 172.33 2kbg s ARG 40 N -1.46 1.19 0.34 -3.49 1.70 -0.85 -1.78 118.95 114.59 2kbg s ARG 40 Ca -0.04 -1.36 -0.26 0.00 -0.47 0.00 0.00 55.73 53.59 2kbg s ARG 40 Cb -0.09 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2kbg s ARG 40 CO 0.01 -0.42 1.04 -1.12 -1.08 0.00 0.00 175.30 173.73 2kbg s SER 41 N -3.04 7.07 0.00 -2.89 0.01 -1.24 -0.28 113.70 113.33 2kbg s SER 41 Ca 0.25 2.06 0.06 0.00 1.31 0.00 0.00 55.95 59.64 2kbg s SER 41 Cb 0.04 -2.60 0.38 0.00 0.21 0.00 0.00 66.02 64.05 2kbg s SER 41 CO 0.05 -0.27 0.83 0.29 0.41 0.00 0.00 173.24 174.55 2kbg n LYS 42 N 0.51 0.20 0.00 12.44 5.02 0.41 -1.21 118.16 135.54 2kbg n LYS 42 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2kbg n LYS 42 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2kbg n LYS 42 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kbg n ASP 43 N -0.98 0.02 -4.01 4.39 8.00 -1.26 -4.97 116.55 117.74 2kbg n ASP 43 Ca 0.05 -0.46 -0.31 0.00 0.71 0.00 0.00 54.79 54.77 2kbg n ASP 43 Cb 0.02 0.88 -0.15 0.00 -0.02 0.00 0.00 41.12 41.84 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 -0.88 1.97 0.00 -1.24 -0.14 -0.35 -4.94 119.74 114.16 2kbg s LYS 44 Ca 0.00 -1.15 0.05 0.00 -1.36 0.00 0.00 55.97 53.51 2kbg s LYS 44 Cb 0.00 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 2kbg s LYS 44 CO 0.00 -0.57 0.29 -0.85 -0.76 0.00 0.00 175.35 173.47 2kbg n GLU 45 N 4.56 4.41 0.00 1.68 0.28 -1.26 -3.63 120.64 126.67 2kbg n GLU 45 Ca -0.13 -0.14 0.05 0.00 -0.16 0.00 0.00 57.16 56.78 2kbg n GLU 45 Cb 0.43 -0.80 0.24 0.00 1.43 0.00 0.00 31.44 32.74 2kbg n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kbg n ASP 46 N -0.89 0.00 -3.64 -1.84 2.03 -1.26 -4.62 116.55 106.33 2kbg n ASP 46 Ca 0.01 0.31 -0.06 0.00 0.52 0.00 0.00 54.79 55.58 2kbg n ASP 46 Cb 0.09 -0.39 -0.07 0.00 -0.72 0.00 0.00 41.12 40.04 2kbg n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbg s GLN 47 N -2.77 0.66 -0.17 -0.67 -2.07 -1.26 -5.15 119.66 108.22 2kbg s GLN 47 Ca 0.07 1.19 -0.05 0.00 -1.82 0.00 0.00 55.36 54.76 2kbg s GLN 47 Cb 0.07 0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 2kbg s GLN 47 CO 0.17 -0.15 -0.00 -1.58 -1.32 0.00 0.00 175.29 172.41 2kbg s TRP 48 N 1.77 3.08 0.63 9.60 0.52 -1.26 -4.82 118.94 128.46 2kbg s TRP 48 Ca -0.09 -0.25 -0.13 0.00 0.02 0.00 0.00 56.10 55.65 2kbg s TRP 48 Cb -0.06 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 2kbg s TRP 48 CO -0.19 -0.04 1.04 -0.51 0.02 0.00 0.00 176.95 177.26 2kbg s LEU 49 N 0.53 3.30 0.10 2.99 1.43 -0.74 -4.89 118.68 121.40 2kbg s LEU 49 Ca -0.01 1.58 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 2kbg s LEU 49 Cb -0.14 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 2kbg s LEU 49 CO 0.02 -1.09 -0.25 -1.83 0.23 0.00 0.00 176.35 173.43 2kbg s GLU 50 N -4.76 1.41 -0.22 1.70 1.03 -1.26 -2.43 118.70 114.16 2kbg s GLU 50 Ca 0.58 -1.23 -0.04 0.00 0.03 0.00 0.00 54.97 54.31 2kbg s GLU 50 Cb -0.13 -1.76 0.11 0.00 -0.80 0.00 0.00 34.13 31.56 2kbg s GLU 50 CO 0.48 0.43 0.37 0.21 -1.33 0.00 0.00 175.26 175.41 2kbg s LYS 51 N -1.80 0.31 0.01 -4.83 2.47 0.42 -4.96 119.74 111.36 2kbg s LYS 51 Ca 0.11 0.67 -0.10 0.00 -1.56 0.00 0.00 55.97 55.09 2kbg s LYS 51 Cb -0.10 -0.27 -0.05 0.00 -1.46 0.00 0.00 37.83 35.95 2kbg s LYS 51 CO 0.05 -0.51 0.34 0.15 0.16 0.00 0.00 175.35 175.53 2kbg s LYS 52 N 2.54 3.73 0.09 4.03 -0.14 -1.26 0.49 119.74 129.21 2kbg s LYS 52 Ca 0.08 0.15 0.02 0.00 -1.36 0.00 0.00 55.97 54.86 2kbg s LYS 52 Cb -0.14 -3.12 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 2kbg s LYS 52 CO -0.14 0.66 -0.07 0.08 -0.76 0.00 0.00 175.35 175.12 2kbg s VAL 53 N -1.21 0.66 0.08 3.17 1.01 0.28 -4.95 120.40 119.45 2kbg s VAL 53 Ca 0.26 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 2kbg s VAL 53 Cb -0.14 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 2kbg s VAL 53 CO 0.14 -0.81 1.19 -1.58 0.00 0.00 0.00 175.10 174.04 2kbg s GLN 54 N -3.55 4.45 0.00 2.72 0.74 -1.26 0.11 119.66 122.88 2kbg s GLN 54 Ca 0.09 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.27 2kbg s GLN 54 Cb 0.03 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.81 2kbg s GLN 54 CO -0.04 -0.22 0.43 0.41 -0.55 0.00 0.00 175.29 175.32 2kbg n GLY 55 N 3.03 0.00 0.01 2.59 0.00 -0.51 -0.60 105.19 109.72 2kbg n GLY 55 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.93 4.05 0.01 1.61 5.03 -1.26 -4.78 115.26 118.99 2kbg n ASN 56 Ca 0.00 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 2kbg n ASN 56 Cb 0.00 0.82 -0.02 0.00 -1.02 0.00 0.00 39.78 39.57 2kbg n ASN 56 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2kbg h LYS 57 N 0.00 -0.12 -0.61 3.52 1.57 -1.23 -3.47 116.57 116.24 2kbg h LYS 57 Ca -0.06 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2kbg h LYS 57 Cb 0.84 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2kbg h LYS 57 CO 0.00 -0.08 -0.02 -0.40 -0.57 0.00 0.00 179.45 178.39 2kbg n ASP 58 N -3.00 -1.63 -3.64 0.86 5.75 -1.25 -5.01 116.55 108.63 2kbg n ASP 58 Ca -0.01 -0.01 -0.02 0.00 -0.01 0.00 0.00 54.79 54.74 2kbg n ASP 58 Cb 0.07 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.49 2kbg n ASP 58 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2kbg s HIS 59 N -2.52 -0.04 -0.06 2.11 -3.43 -1.26 -1.56 115.29 108.53 2kbg s HIS 59 Ca 0.01 0.07 -0.11 0.00 -0.80 0.00 0.00 55.06 54.23 2kbg s HIS 59 Cb -0.00 0.49 0.02 0.00 -1.43 0.00 0.00 32.58 31.66 2kbg s HIS 59 CO 0.01 -0.03 0.26 0.96 -2.00 0.00 0.00 174.74 173.93 2kbg s ILE 60 N -0.93 0.03 -0.26 -5.38 -4.36 -1.17 -4.91 121.20 104.23 2kbg s ILE 60 Ca 0.09 -0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 60.16 2kbg s ILE 60 Cb -0.01 -0.46 0.01 0.00 1.25 0.00 0.00 42.46 43.25 2kbg s ILE 60 CO -0.09 -0.15 -0.00 -0.63 0.24 0.00 0.00 174.94 174.31 2kbg s ILE 61 N -0.58 3.38 -0.39 8.37 -1.09 -1.26 -2.39 121.20 127.24 2kbg s ILE 61 Ca -0.07 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.45 2kbg s ILE 61 Cb -0.04 -2.69 0.04 0.00 -1.58 0.00 0.00 42.46 38.19 2kbg s ILE 61 CO 0.02 0.20 0.22 -0.76 -1.23 0.00 0.00 174.94 173.38 2kbg s LEU 62 N 1.42 4.82 0.56 2.97 1.43 -1.25 -4.98 118.68 123.65 2kbg s LEU 62 Ca 0.02 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.94 2kbg s LEU 62 Cb -0.16 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2kbg s LEU 62 CO -0.02 -0.42 0.89 -1.61 0.23 0.00 0.00 176.35 175.42 2kbg s GLU 63 N 1.52 3.26 -0.79 1.70 2.02 -1.26 -3.33 118.70 121.83 2kbg s GLU 63 Ca 0.02 0.22 -0.01 0.00 0.02 0.00 0.00 54.97 55.21 2kbg s GLU 63 Cb -0.20 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2kbg s GLU 63 CO 0.06 -0.51 0.73 0.72 0.02 0.00 0.00 175.26 176.28 2kbg n HIS 64 N -2.51 -2.78 0.60 1.61 8.25 -1.26 -4.96 115.22 114.18 2kbg n HIS 64 Ca 0.03 1.04 0.06 0.00 -0.26 0.00 0.00 57.72 58.60 2kbg n HIS 64 Cb 0.56 -4.05 -0.06 0.00 1.12 0.00 0.00 29.99 27.55 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 -2.08 0.70 -1.58 2.41 4.77 -1.26 -5.06 117.00 114.90 2kbg n LEU 65 Ca -0.02 -0.53 0.05 0.00 -0.03 0.00 0.00 56.01 55.48 2kbg n LEU 65 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2kbg n LEU 65 CO 0.53 0.17 -0.54 1.67 -1.33 0.00 0.00 177.39 177.88 2kbg n GLN 66 N -1.18 -4.02 0.00 3.23 -0.06 -1.26 -4.53 117.38 109.56 2kbg n GLN 66 Ca 0.03 3.16 0.11 0.00 -2.00 0.00 0.00 57.00 58.30 2kbg n GLN 66 Cb 0.21 -4.08 0.06 0.00 -4.06 0.00 0.00 30.24 22.37 2kbg n GLN 66 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 2kbg n TRP 67 N -3.11 0.00 -1.06 3.69 7.02 -1.26 -4.31 117.44 118.41 2kbg n TRP 67 Ca -0.03 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.55 2kbg n TRP 67 Cb 0.55 -0.06 0.15 0.00 -2.42 0.00 0.00 31.31 29.53 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 -0.81 1.91 -3.73 -0.99 -2.24 -1.26 -3.42 114.28 103.74 2kbg n THR 68 Ca 0.08 -2.24 -0.14 0.00 -2.27 0.00 0.00 64.05 59.48 2kbg n THR 68 Cb 0.38 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.87 0.10 0.49 -0.78 -1.94 -1.26 -5.05 119.30 107.98 2kbg s MET 69 Ca 0.33 0.44 -0.09 0.00 -1.71 0.00 0.00 55.69 54.65 2kbg s MET 69 Cb 0.28 -0.19 -0.05 0.00 2.01 0.00 0.00 34.83 36.89 2kbg s MET 69 CO 0.03 -0.20 0.85 0.20 -0.01 0.00 0.00 175.02 175.90 2kbg s GLY 70 N 1.43 1.75 0.03 -0.03 0.00 -1.26 -4.10 107.32 105.14 2kbg s GLY 70 Ca -0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.26 2kbg s GLY 70 CO -0.06 -0.03 0.34 -2.52 0.00 0.00 0.00 173.10 170.83 2kbg s TYR 71 N -2.69 -0.17 0.19 1.90 1.13 -1.25 -0.44 117.35 116.01 2kbg s TYR 71 Ca 0.52 0.11 0.06 0.00 -1.41 0.00 0.00 57.07 56.35 2kbg s TYR 71 Cb -0.10 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 2kbg s TYR 71 CO 0.41 -0.51 0.10 -1.21 -2.51 0.00 0.00 175.55 171.83 2kbg s GLU 72 N -2.31 2.71 -0.06 -3.49 2.02 0.62 -3.69 118.70 114.50 2kbg s GLU 72 Ca -0.07 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 53.93 2kbg s GLU 72 Cb -0.02 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.72 2kbg s GLU 72 CO -0.02 0.45 -0.11 0.08 0.02 0.00 0.00 175.26 175.69 2kbg s VAL 73 N -1.86 1.03 -0.27 2.63 1.01 0.10 -2.01 120.40 121.03 2kbg s VAL 73 Ca 0.30 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2kbg s VAL 73 Cb -0.09 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.40 2kbg s VAL 73 CO 0.22 0.33 -0.04 -1.58 0.00 0.00 0.00 175.10 174.03 2kbg s GLN 74 N 0.69 1.78 -0.02 2.72 0.74 0.78 -0.05 119.66 126.30 2kbg s GLN 74 Ca -0.14 -1.32 -0.19 0.00 0.05 0.00 0.00 55.36 53.76 2kbg s GLN 74 Cb -0.15 -2.80 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 2kbg s GLN 74 CO 0.03 -0.68 0.54 0.42 -0.55 0.00 0.00 175.29 175.04 2kbg s ILE 75 N 1.19 4.98 -0.05 -2.34 1.09 0.14 -1.29 121.20 124.91 2kbg s ILE 75 Ca -0.03 1.11 -0.01 0.00 -1.10 0.00 0.00 60.65 60.63 2kbg s ILE 75 Cb -0.19 -3.87 0.03 0.00 -1.06 0.00 0.00 42.46 37.37 2kbg s ILE 75 CO -0.07 0.43 -0.00 -0.89 -0.10 0.00 0.00 174.94 174.31 2kbg s THR 76 N -0.21 0.31 -0.27 2.92 2.01 -0.31 0.72 115.64 120.82 2kbg s THR 76 Ca 0.29 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 2kbg s THR 76 Cb -0.17 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2kbg s THR 76 CO 0.15 0.22 0.35 0.00 -0.69 0.00 0.00 174.62 174.65 2kbg s ALA 77 N 1.60 3.56 -0.47 7.40 0.00 -1.19 0.01 121.76 132.67 2kbg s ALA 77 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2kbg s ALA 77 Cb -0.13 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.39 2kbg s ALA 77 CO -0.03 -0.61 0.39 0.00 0.00 0.00 0.00 175.76 175.51 2kbg s ALA 78 N 1.96 3.55 0.34 0.00 0.00 -0.91 -0.40 121.76 126.30 2kbg s ALA 78 Ca 0.14 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 50.01 2kbg s ALA 78 Cb -0.16 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2kbg s ALA 78 CO 0.10 -1.73 0.28 0.27 0.00 0.00 0.00 175.76 174.68 2kbg n ASN 79 N 5.19 1.97 -0.61 0.00 2.04 -1.26 -1.95 115.26 120.65 2kbg n ASN 79 Ca -0.12 -2.13 0.48 0.00 -0.44 0.00 0.00 54.58 52.37 2kbg n ASN 79 Cb 0.44 -0.06 0.78 0.00 -2.53 0.00 0.00 39.78 38.41 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 0.01 -0.55 -3.83 2.43 -1.87 2.29 114.38 112.87 2kbg h ARG 80 Ca -0.21 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 2kbg h ARG 80 Cb 0.78 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2kbg h ARG 80 CO 0.32 0.01 0.06 -0.07 -1.51 0.00 0.00 179.97 178.78 2kbg h LEU 81 N 0.01 0.90 0.00 3.80 -0.00 -1.94 -3.47 115.31 114.61 2kbg h LEU 81 Ca 0.88 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 58.48 2kbg h LEU 81 Cb 3.36 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 43.78 2kbg h LEU 81 CO -0.12 0.95 0.00 0.61 -0.00 0.00 0.00 178.44 179.88 2kbg n GLY 82 N -0.49 3.63 3.52 0.83 0.00 0.77 -5.03 105.19 108.42 2kbg n GLY 82 Ca 0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.88 0.04 1.61 1.51 -1.26 -3.99 117.35 114.38 2kbg s TYR 83 Ca 0.00 1.84 -0.27 0.00 -1.01 0.00 0.00 57.07 57.62 2kbg s TYR 83 Cb 0.00 0.47 0.09 0.00 -0.11 0.00 0.00 41.96 42.42 2kbg s TYR 83 CO 0.00 -0.45 0.82 0.45 -1.11 0.00 0.00 175.55 175.27 2kbg s SER 84 N 1.36 -0.41 -1.31 2.29 0.15 0.46 -4.90 113.70 111.34 2kbg s SER 84 Ca -0.08 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 2kbg s SER 84 Cb -0.06 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2kbg s SER 84 CO -0.15 -0.71 0.67 -0.62 1.20 0.00 0.00 173.24 173.63 2kbg n GLU 85 N -0.28 -4.56 -2.42 5.44 -0.58 -1.26 -3.18 120.64 113.80 2kbg n GLU 85 Ca -0.11 0.59 -0.35 0.00 -0.42 0.00 0.00 57.16 56.88 2kbg n GLU 85 Cb 0.62 -5.07 -0.02 0.00 -0.57 0.00 0.00 31.44 26.40 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 -6.02 3.64 -0.25 3.49 0.04 -1.26 -4.40 135.00 130.23 2kbg s PRO 86 Ca 0.02 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.56 2kbg s PRO 86 Cb -0.01 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2kbg s PRO 86 CO 0.82 -0.59 -0.05 0.99 0.04 0.00 0.00 177.00 178.21 2kbg s THR 87 N -1.86 1.65 -0.70 1.26 2.01 0.22 -4.90 115.64 113.32 2kbg s THR 87 Ca 0.69 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 2kbg s THR 87 Cb -0.20 -1.91 0.14 0.00 0.01 0.00 0.00 72.50 70.53 2kbg s THR 87 CO 0.24 -0.13 0.79 -0.69 -0.69 0.00 0.00 174.62 174.14 2kbg s VAL 88 N 1.33 5.00 -0.17 3.82 1.01 -1.26 0.23 120.40 130.36 2kbg s VAL 88 Ca -0.05 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 2kbg s VAL 88 Cb -0.19 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2kbg s VAL 88 CO -0.07 -1.16 0.08 -0.47 0.00 0.00 0.00 175.10 173.48 2kbg s TYR 89 N 2.07 3.30 -0.03 5.22 5.04 0.93 -5.00 117.35 128.89 2kbg s TYR 89 Ca 0.16 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 2kbg s TYR 89 Cb -0.18 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.08 2kbg s TYR 89 CO -0.00 0.25 -0.06 -1.83 -1.34 0.00 0.00 175.55 172.57 2kbg s GLU 90 N 0.16 0.75 -0.29 4.97 -1.05 -1.26 0.01 118.70 121.99 2kbg s GLU 90 Ca 0.06 -0.19 -0.19 0.00 -0.15 0.00 0.00 54.97 54.49 2kbg s GLU 90 Cb -0.12 -0.73 0.14 0.00 -0.44 0.00 0.00 34.13 32.97 2kbg s GLU 90 CO 0.00 0.03 1.00 -0.59 0.95 0.00 0.00 175.26 176.66 2kbg s PHE 91 N 0.40 -0.54 0.71 4.83 -0.71 -1.24 -5.04 117.98 116.39 2kbg s PHE 91 Ca -0.05 1.15 -0.11 0.00 -1.04 0.00 0.00 56.93 56.88 2kbg s PHE 91 Cb -0.09 0.36 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 2kbg s PHE 91 CO 0.00 -0.26 1.10 -1.54 -1.34 0.00 0.00 175.22 173.17 2kbg s SER 92 N 0.91 5.39 0.03 1.98 1.04 -1.26 -3.91 113.70 117.88 2kbg s SER 92 Ca -0.04 1.09 -0.14 0.00 0.48 0.00 0.00 55.95 57.34 2kbg s SER 92 Cb -0.04 -1.87 -0.06 0.00 0.10 0.00 0.00 66.02 64.15 2kbg s SER 92 CO -0.12 -1.37 0.42 -0.04 0.98 0.00 0.00 173.24 173.11 2kbg s MET 93 N -5.36 3.88 0.71 4.02 1.00 -1.26 -4.95 119.30 117.34 2kbg s MET 93 Ca 0.58 0.36 -0.11 0.00 0.00 0.00 0.00 55.69 56.52 2kbg s MET 93 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 34.83 31.59 2kbg s MET 93 CO 0.51 0.64 1.07 -1.25 0.00 0.00 0.00 175.02 176.00 2kbg s PRO 94 N -1.36 2.87 0.69 2.03 0.04 -1.26 -4.65 135.00 133.36 2kbg s PRO 94 Ca 0.27 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 2kbg s PRO 94 Cb -0.16 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kbg s PRO 94 CO 0.15 -1.08 1.23 -1.25 0.04 0.00 0.00 177.00 176.09 2kbg s PRO 95 N -5.21 2.34 0.09 0.56 0.04 -1.22 -4.51 135.00 127.09 2kbg s PRO 95 Ca 0.58 1.83 -0.36 0.00 0.04 0.00 0.00 61.00 63.09 2kbg s PRO 95 Cb -0.12 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 2kbg s PRO 95 CO 0.53 -1.70 1.07 1.17 0.04 0.00 0.00 177.00 178.11 2kbg n LYS 96 N -2.39 0.52 -1.76 4.56 3.00 -1.26 -4.93 118.16 115.90 2kbg n LYS 96 Ca 0.14 0.19 -0.31 0.00 -0.00 0.00 0.00 58.31 58.32 2kbg n LYS 96 Cb 0.50 -1.64 0.03 0.00 0.00 0.00 0.00 35.03 33.91 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 -0.14 3.22 0.07 1.64 0.04 -1.26 -4.97 135.00 133.58 2kbg s PRO 97 Ca 0.81 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2kbg s PRO 97 Cb -1.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2kbg s PRO 97 CO 0.54 -0.88 0.00 0.27 0.04 0.00 0.00 177.00 176.97 2kbg n ASN 98 N -2.80 -0.35 -0.04 6.66 6.94 -1.26 -5.02 115.26 119.40 2kbg n ASN 98 Ca 0.07 0.12 -0.08 0.00 -0.02 0.00 0.00 54.58 54.67 2kbg n ASN 98 Cb 0.54 0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 38.46 2kbg n ASN 98 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kbg n ILE 99 N -2.67 0.54 -1.08 1.53 3.06 -1.26 -5.05 119.36 114.43 2kbg n ILE 99 Ca 0.00 -0.07 -0.34 0.00 -2.50 0.00 0.00 62.75 59.84 2kbg n ILE 99 Cb 0.00 -1.63 0.11 0.00 0.54 0.00 0.00 39.64 38.66 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 -3.41 1.59 0.00 9.51 3.06 -1.26 -4.99 119.36 123.85 2kbg n ILE 100 Ca -0.15 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 2kbg n ILE 100 Cb 0.57 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.76 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 -2.41 0.00 0.00 9.51 5.02 -1.26 -5.00 118.16 124.02 2kbg n LYS 101 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2kbg n LYS 101 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2kbg n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63