#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n LYS 3 N 0.00 0.00 -1.37 0.54 5.02 -1.26 -4.70 118.16 116.39 2wh3 n LYS 3 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 2wh3 n LYS 3 Cb 0.00 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2wh3 n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wh3 n LYS 4 N 6.03 0.11 -4.05 1.97 3.00 -1.26 -4.53 118.16 119.42 2wh3 n LYS 4 Ca 0.46 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.69 2wh3 n LYS 4 Cb 0.01 -1.08 -0.11 0.00 0.00 0.00 0.00 35.03 33.84 2wh3 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wh3 s VAL 5 N -1.32 0.46 -0.00 3.15 1.01 -1.26 -0.85 120.40 121.58 2wh3 s VAL 5 Ca 0.62 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 2wh3 s VAL 5 Cb -0.77 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.01 2wh3 s VAL 5 CO 0.59 -0.45 0.38 -0.76 0.00 0.00 0.00 175.10 174.86 2wh3 s LEU 6 N -1.68 0.57 -0.08 3.92 1.43 -0.83 -4.96 118.68 117.05 2wh3 s LEU 6 Ca -0.09 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2wh3 s LEU 6 Cb -0.09 1.54 -0.01 0.00 0.03 0.00 0.00 46.19 47.66 2wh3 s LEU 6 CO -0.00 -0.53 -0.20 0.42 0.23 0.00 0.00 176.35 176.27 2wh3 s THR 7 N -1.69 2.50 -0.08 5.49 -4.23 -1.26 0.23 115.64 116.61 2wh3 s THR 7 Ca -0.11 -0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 2wh3 s THR 7 Cb -0.03 -1.97 0.11 0.00 1.34 0.00 0.00 72.50 71.95 2wh3 s THR 7 CO 0.03 0.56 0.91 -0.83 -0.54 0.00 0.00 174.62 174.76 2wh3 s GLY 8 N -0.12 -0.39 0.80 3.99 0.00 -0.82 -4.57 107.32 106.20 2wh3 s GLY 8 Ca -0.03 1.48 -0.14 0.00 0.00 0.00 0.00 44.72 46.02 2wh3 s GLY 8 CO 0.04 0.69 1.16 -0.62 0.00 0.00 0.00 173.10 174.37 2wh3 n VAL 9 N 0.28 2.21 -3.62 1.40 0.31 -0.99 -3.12 118.33 114.80 2wh3 n VAL 9 Ca -0.10 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.61 2wh3 n VAL 9 Cb 0.60 -1.18 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 2wh3 n VAL 9 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wh3 s VAL 10 N -2.06 5.06 -0.22 2.52 1.01 -1.02 -0.59 120.40 125.09 2wh3 s VAL 10 Ca 0.73 0.02 0.14 0.00 0.00 0.00 0.00 61.98 62.87 2wh3 s VAL 10 Cb -0.30 -3.44 0.57 0.00 0.00 0.00 0.00 36.38 33.21 2wh3 s VAL 10 CO 0.51 0.23 1.50 1.33 0.00 0.00 0.00 175.10 178.66 2wh3 n VAL 11 N 5.03 2.45 0.00 2.92 0.24 -0.13 -2.78 118.33 126.06 2wh3 n VAL 11 Ca -0.14 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.17 2wh3 n VAL 11 Cb 0.51 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 2wh3 n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wh3 n SER 12 N -0.53 0.00 -1.93 -1.34 2.88 -1.25 -4.90 113.62 106.55 2wh3 n SER 12 Ca 0.26 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.77 2wh3 n SER 12 Cb 1.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.49 2wh3 n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wh3 n ASP 13 N 0.00 -0.76 0.14 -3.46 5.75 -1.26 -2.53 116.55 114.43 2wh3 n ASP 13 Ca 0.00 -2.09 0.13 0.00 -0.01 0.00 0.00 54.79 52.81 2wh3 n ASP 13 Cb 0.00 0.33 0.44 0.00 -1.03 0.00 0.00 41.12 40.86 2wh3 n ASP 13 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2wh3 h LYS 14 N 0.77 0.00 -6.59 0.11 1.57 -1.96 -3.45 116.57 107.02 2wh3 h LYS 14 Ca -0.45 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.86 2wh3 h LYS 14 Cb 1.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.72 2wh3 h LYS 14 CO -0.17 0.00 -0.15 -1.64 -0.57 0.00 0.00 179.45 176.93 2wh3 s MET 15 N -3.24 3.40 -0.29 3.15 -1.94 -1.26 -5.06 119.30 114.06 2wh3 s MET 15 Ca 0.07 -0.33 -0.23 0.00 -1.71 0.00 0.00 55.69 53.49 2wh3 s MET 15 Cb 0.10 -2.62 -0.00 0.00 2.01 0.00 0.00 34.83 34.32 2wh3 s MET 15 CO 0.53 0.03 0.78 -0.65 -0.01 0.00 0.00 175.02 175.70 2wh3 s GLN 16 N -4.40 4.03 -1.06 2.03 -0.21 -1.26 -3.92 119.66 114.86 2wh3 s GLN 16 Ca 0.42 0.66 -0.05 0.00 0.02 0.00 0.00 55.36 56.41 2wh3 s GLN 16 Cb -0.10 -3.70 0.01 0.00 1.00 0.00 0.00 33.01 30.22 2wh3 s GLN 16 CO 0.37 -0.61 0.92 1.63 -2.12 0.00 0.00 175.29 175.47 2wh3 n LYS 17 N 6.10 -6.14 -3.47 2.91 5.02 -1.26 -5.01 118.16 116.32 2wh3 n LYS 17 Ca 0.04 0.68 -0.13 0.00 -2.02 0.00 0.00 58.31 56.87 2wh3 n LYS 17 Cb 0.48 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 2wh3 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wh3 s THR 18 N -3.27 0.00 -0.18 -0.18 2.01 -1.25 -3.08 115.64 109.69 2wh3 s THR 18 Ca 0.33 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 2wh3 s THR 18 Cb -0.15 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.42 2wh3 s THR 18 CO 0.59 0.00 0.47 0.68 -0.69 0.00 0.00 174.62 175.67 2wh3 s VAL 19 N -2.85 -0.01 0.00 3.82 -7.23 0.07 -4.45 120.40 109.77 2wh3 s VAL 19 Ca -0.02 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.89 2wh3 s VAL 19 Cb -0.01 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2wh3 s VAL 19 CO -0.06 0.01 0.94 -0.89 -0.31 0.00 0.00 175.10 174.79 2wh3 s THR 20 N 0.68 4.85 -0.23 5.32 2.01 -1.05 -0.40 115.64 126.83 2wh3 s THR 20 Ca -0.04 1.97 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2wh3 s THR 20 Cb -0.05 -4.28 0.05 0.00 0.01 0.00 0.00 72.50 68.23 2wh3 s THR 20 CO -0.05 0.19 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.28 2wh3 s VAL 21 N 0.84 1.85 -0.59 3.82 1.01 -0.04 -0.95 120.40 126.33 2wh3 s VAL 21 Ca 0.49 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 2wh3 s VAL 21 Cb -0.21 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2wh3 s VAL 21 CO 0.27 0.08 1.06 -0.22 0.00 0.00 0.00 175.10 176.28 2wh3 s LEU 22 N 1.28 3.82 -0.21 3.92 2.96 0.24 -1.05 118.68 129.64 2wh3 s LEU 22 Ca -0.04 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2wh3 s LEU 22 Cb -0.18 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 2wh3 s LEU 22 CO -0.07 -1.40 0.07 -0.69 -1.32 0.00 0.00 176.35 172.94 2wh3 s VAL 23 N 4.48 4.62 0.58 1.68 1.01 -0.04 -2.34 120.40 130.39 2wh3 s VAL 23 Ca 0.34 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2wh3 s VAL 23 Cb -0.11 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.29 2wh3 s VAL 23 CO 0.20 0.41 0.74 -0.62 0.00 0.00 0.00 175.10 175.82 2wh3 n GLU 24 N 4.10 -0.95 0.00 2.72 1.02 -1.26 -1.94 120.64 124.32 2wh3 n GLU 24 Ca -0.16 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 2wh3 n GLU 24 Cb 0.52 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 2wh3 n GLU 24 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2wh3 n ARG 25 N -2.72 0.00 -4.13 3.49 0.63 -1.21 -4.86 116.66 107.87 2wh3 n ARG 25 Ca 0.09 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.80 2wh3 n ARG 25 Cb 0.33 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.19 2wh3 n ARG 25 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2wh3 s GLN 26 N 0.00 2.87 -0.15 -0.14 -2.07 -1.26 -1.97 119.66 116.94 2wh3 s GLN 26 Ca 0.00 -1.06 -0.32 0.00 -1.82 0.00 0.00 55.36 52.17 2wh3 s GLN 26 Cb 0.00 -2.54 0.13 0.00 -1.09 0.00 0.00 33.01 29.51 2wh3 s GLN 26 CO 0.00 0.41 1.10 -0.59 -1.32 0.00 0.00 175.29 174.89 2wh3 s PHE 27 N -2.09 -0.23 0.19 9.60 -0.12 -1.13 -4.93 117.98 119.28 2wh3 s PHE 27 Ca 0.32 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 57.15 2wh3 s PHE 27 Cb -0.08 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 2wh3 s PHE 27 CO 0.24 -0.29 1.15 -2.14 -0.05 0.00 0.00 175.22 174.13 2wh3 s PRO 28 N -2.07 4.54 0.17 1.99 0.02 -1.26 -0.80 135.00 137.59 2wh3 s PRO 28 Ca 0.06 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 2wh3 s PRO 28 Cb -0.01 -3.25 -0.09 0.00 0.02 0.00 0.00 34.50 31.17 2wh3 s PRO 28 CO -0.05 -0.00 1.42 -1.58 -0.33 0.00 0.00 177.00 176.46 2wh3 s HIS 29 N -0.24 3.17 -1.41 6.54 2.46 0.74 -4.86 115.29 121.68 2wh3 s HIS 29 Ca 0.51 0.96 0.00 0.00 0.47 0.00 0.00 55.06 57.00 2wh3 s HIS 29 Cb -0.31 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 2wh3 s HIS 29 CO 0.37 -2.52 0.09 -0.35 -2.47 0.00 0.00 174.74 169.85 2wh3 n PRO 30 N 3.34 0.13 0.00 2.88 -0.04 -1.26 -1.42 135.00 138.62 2wh3 n PRO 30 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2wh3 n PRO 30 Cb 0.41 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2wh3 n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wh3 n LEU 31 N 0.05 0.00 -0.14 1.53 7.94 -1.26 -4.95 117.00 120.18 2wh3 n LEU 31 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 2wh3 n LEU 31 Cb 0.02 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.07 2wh3 n LEU 31 CO 0.00 0.00 0.51 -1.22 -1.11 0.00 0.00 177.39 175.57 2wh3 n TYR 32 N 0.00 0.00 0.00 1.96 0.53 -1.16 -5.04 117.16 113.45 2wh3 n TYR 32 Ca 0.00 -0.79 0.00 0.00 -1.02 0.00 0.00 57.90 56.09 2wh3 n TYR 32 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 39.34 38.19 2wh3 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wh3 n GLY 33 N -1.12 0.26 0.00 2.72 0.00 -0.51 -4.73 105.19 101.81 2wh3 n GLY 33 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2wh3 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh3 n LYS 34 N 0.00 0.00 -1.65 1.61 4.81 -1.26 0.26 118.16 121.93 2wh3 n LYS 34 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2wh3 n LYS 34 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 2wh3 n LYS 34 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wh3 n VAL 35 N 0.03 3.53 -3.74 3.15 0.31 -1.26 -3.11 118.33 117.23 2wh3 n VAL 35 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 2wh3 n VAL 35 Cb 0.00 -1.28 -0.14 0.00 -0.91 0.00 0.00 33.84 31.51 2wh3 n VAL 35 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2wh3 s ILE 36 N -1.41 -0.04 0.50 2.52 -4.36 0.02 -4.91 121.20 113.51 2wh3 s ILE 36 Ca 0.73 0.16 -0.19 0.00 -0.26 0.00 0.00 60.65 61.09 2wh3 s ILE 36 Cb -0.44 -0.30 -0.08 0.00 1.25 0.00 0.00 42.46 42.89 2wh3 s ILE 36 CO 0.49 0.07 1.01 -0.54 0.24 0.00 0.00 174.94 176.20 2wh3 s LYS 37 N 1.18 3.86 -0.30 0.37 1.02 -1.26 -2.82 119.74 121.79 2wh3 s LYS 37 Ca -0.09 1.16 -0.08 0.00 0.02 0.00 0.00 55.97 56.98 2wh3 s LYS 37 Cb -0.11 -2.12 0.18 0.00 -0.52 0.00 0.00 37.83 35.26 2wh3 s LYS 37 CO -0.07 -0.36 0.82 0.50 -0.92 0.00 0.00 175.35 175.33 2wh3 s ARG 38 N -3.60 0.39 0.44 1.68 6.06 -0.83 -4.98 118.95 118.11 2wh3 s ARG 38 Ca 0.63 0.75 0.02 0.00 -2.50 0.00 0.00 55.73 54.63 2wh3 s ARG 38 Cb -0.13 0.43 0.00 0.00 0.06 0.00 0.00 34.95 35.31 2wh3 s ARG 38 CO 0.24 -0.36 0.64 -1.54 -2.50 0.00 0.00 175.30 171.78 2wh3 s SER 39 N 2.84 5.76 0.05 -2.12 1.04 -1.26 -3.33 113.70 116.69 2wh3 s SER 39 Ca 0.08 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.47 2wh3 s SER 39 Cb -0.12 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.71 2wh3 s SER 39 CO -0.17 -0.72 0.28 -0.75 0.98 0.00 0.00 173.24 172.86 2wh3 s LYS 40 N -4.49 0.80 -0.11 4.02 2.20 -0.82 -5.00 119.74 116.33 2wh3 s LYS 40 Ca 0.49 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 2wh3 s LYS 40 Cb -0.10 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2wh3 s LYS 40 CO 0.36 -0.26 -0.14 0.15 -0.36 0.00 0.00 175.35 175.11 2wh3 s LYS 41 N -2.71 3.19 -0.10 4.03 1.02 -1.26 -0.86 119.74 123.05 2wh3 s LYS 41 Ca -0.04 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2wh3 s LYS 41 Cb -0.00 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2wh3 s LYS 41 CO -0.04 0.29 -0.17 0.71 -0.92 0.00 0.00 175.35 175.21 2wh3 s TYR 42 N 0.14 2.68 -0.97 3.18 1.51 -0.21 -4.90 117.35 118.77 2wh3 s TYR 42 Ca -0.07 -0.67 -0.22 0.00 -1.01 0.00 0.00 57.07 55.10 2wh3 s TYR 42 Cb -0.15 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 40.02 2wh3 s TYR 42 CO 0.05 -0.19 1.36 -0.51 -1.11 0.00 0.00 175.55 175.14 2wh3 s LEU 43 N 0.10 3.84 0.49 -1.29 1.43 -1.26 -0.86 118.68 121.13 2wh3 s LEU 43 Ca -0.08 -1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 51.32 2wh3 s LEU 43 Cb -0.15 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 2wh3 s LEU 43 CO 0.05 -1.43 1.01 0.00 0.23 0.00 0.00 176.35 176.22 2wh3 s ALA 44 N 4.50 2.92 0.85 4.21 0.00 0.46 -4.35 121.76 130.35 2wh3 s ALA 44 Ca 0.42 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2wh3 s ALA 44 Cb -0.02 -3.21 0.12 0.00 0.00 0.00 0.00 23.12 20.02 2wh3 s ALA 44 CO -0.08 -0.27 1.20 -1.58 0.00 0.00 0.00 175.76 175.03 2wh3 s HIS 45 N -2.19 2.41 0.00 0.00 2.46 0.64 -0.75 115.29 117.86 2wh3 s HIS 45 Ca 0.64 0.51 0.00 0.00 0.47 0.00 0.00 55.06 56.68 2wh3 s HIS 45 Cb -0.14 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 2wh3 s HIS 45 CO 0.22 -2.04 0.00 -3.47 -2.47 0.00 0.00 174.74 166.99 2wh3 n ASP 46 N -3.40 0.00 -0.74 9.88 4.64 -1.18 -3.78 116.55 121.97 2wh3 n ASP 46 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 2wh3 n ASP 46 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2wh3 n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wh3 n PRO 47 N 0.00 0.49 0.00 -0.67 -0.04 -1.26 -2.09 135.00 131.42 2wh3 n PRO 47 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wh3 n PRO 47 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2wh3 n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh3 n GLU 48 N 0.50 0.00 -4.34 0.54 1.02 -1.26 -5.00 120.64 112.11 2wh3 n GLU 48 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2wh3 n GLU 48 Cb 0.18 -0.19 -0.08 0.00 -0.02 0.00 0.00 31.44 31.33 2wh3 n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh3 n GLU 49 N 0.00 -1.31 0.08 3.49 -0.58 -0.89 -4.79 120.64 116.64 2wh3 n GLU 49 Ca 0.00 0.16 0.01 0.00 -0.42 0.00 0.00 57.16 56.91 2wh3 n GLU 49 Cb 0.14 -4.12 -0.04 0.00 -0.57 0.00 0.00 31.44 26.85 2wh3 n GLU 49 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2wh3 h LYS 50 N -1.52 0.00 -4.99 3.49 2.10 -1.94 -3.44 116.57 110.27 2wh3 h LYS 50 Ca -0.63 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.38 2wh3 h LYS 50 Cb 1.39 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.56 2wh3 h LYS 50 CO 0.76 0.39 -0.49 0.71 -2.00 0.00 0.00 179.45 178.82 2wh3 s TYR 51 N -2.94 3.26 0.36 0.07 1.51 -1.26 -5.08 117.35 113.26 2wh3 s TYR 51 Ca 0.00 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2wh3 s TYR 51 Cb 0.08 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2wh3 s TYR 51 CO 0.78 -0.08 0.55 -1.59 -1.11 0.00 0.00 175.55 174.10 2wh3 s LYS 52 N 1.53 3.29 -0.15 -0.62 0.00 -1.26 -4.98 119.74 117.54 2wh3 s LYS 52 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 55.97 55.19 2wh3 s LYS 52 Cb -0.15 -2.69 -0.08 0.00 0.00 0.00 0.00 37.83 34.91 2wh3 s LYS 52 CO 0.09 0.05 2.12 -0.11 0.00 0.00 0.00 175.35 177.49 2wh3 n LEU 53 N -1.80 3.39 0.00 2.77 7.94 -1.26 -2.77 117.00 125.28 2wh3 n LEU 53 Ca -0.03 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2wh3 n LEU 53 Cb 0.57 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 43.03 2wh3 n LEU 53 CO 0.47 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 2wh3 n GLY 54 N 5.38 0.90 0.00 -3.96 0.00 -1.12 -4.98 105.19 101.41 2wh3 n GLY 54 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2wh3 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wh3 n ASP 55 N 0.00 -0.33 -2.96 1.61 8.00 -1.11 -2.76 116.55 118.99 2wh3 n ASP 55 Ca 0.00 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.83 2wh3 n ASP 55 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2wh3 n ASP 55 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wh3 n VAL 56 N -1.67 -0.39 -2.14 2.53 0.31 -1.11 -2.42 118.33 113.45 2wh3 n VAL 56 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 64.34 62.44 2wh3 n VAL 56 Cb 0.00 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2wh3 n VAL 56 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wh3 n VAL 57 N 2.71 0.00 -4.83 2.52 0.24 -1.18 -2.29 118.33 115.50 2wh3 n VAL 57 Ca 0.21 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.24 2wh3 n VAL 57 Cb 0.54 -1.25 -0.15 0.00 -1.47 0.00 0.00 33.84 31.52 2wh3 n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wh3 s GLU 58 N -0.58 1.57 0.24 7.34 2.02 -0.51 -1.94 118.70 126.83 2wh3 s GLU 58 Ca 0.00 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.16 2wh3 s GLU 58 Cb 0.00 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2wh3 s GLU 58 CO 0.00 0.43 0.21 0.42 0.02 0.00 0.00 175.26 176.33 2wh3 s ILE 59 N -0.69 4.56 -0.28 -1.63 -1.09 0.62 -0.06 121.20 122.63 2wh3 s ILE 59 Ca 0.08 -1.30 -0.08 0.00 -2.23 0.00 0.00 60.65 57.12 2wh3 s ILE 59 Cb -0.09 -3.44 0.13 0.00 -1.58 0.00 0.00 42.46 37.48 2wh3 s ILE 59 CO 0.01 -0.31 0.60 -0.51 -1.23 0.00 0.00 174.94 173.50 2wh3 s ILE 60 N -2.05 -0.93 0.00 2.92 2.07 -1.06 -1.97 121.20 120.18 2wh3 s ILE 60 Ca 0.33 0.02 -0.32 0.00 -1.41 0.00 0.00 60.65 59.27 2wh3 s ILE 60 Cb -0.08 -0.94 -0.16 0.00 0.13 0.00 0.00 42.46 41.40 2wh3 s ILE 60 CO 0.25 0.01 0.86 1.21 -1.91 0.00 0.00 174.94 175.35 2wh3 n GLU 61 N 5.44 0.00 -4.18 3.50 2.13 -0.03 -2.90 120.64 124.59 2wh3 n GLU 61 Ca -0.10 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.55 2wh3 n GLU 61 Cb 0.49 -1.21 -0.06 0.00 0.27 0.00 0.00 31.44 30.94 2wh3 n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wh3 s SER 62 N -0.02 1.31 0.22 4.31 0.01 -1.16 -4.85 113.70 113.52 2wh3 s SER 62 Ca 0.73 -1.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.06 2wh3 s SER 62 Cb -1.02 0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.73 2wh3 s SER 62 CO 0.46 -1.19 1.39 -0.60 0.41 0.00 0.00 173.24 173.71 2wh3 s ARG 63 N -3.21 4.32 0.05 12.44 3.52 -1.26 -4.70 118.95 130.11 2wh3 s ARG 63 Ca 0.36 2.19 -0.37 0.00 -0.13 0.00 0.00 55.73 57.78 2wh3 s ARG 63 Cb 0.01 -3.15 -0.16 0.00 -1.56 0.00 0.00 34.95 30.08 2wh3 s ARG 63 CO 0.24 -0.36 1.40 -2.30 -0.81 0.00 0.00 175.30 173.47 2wh3 n PRO 64 N 2.62 1.20 -0.03 5.12 -0.02 -1.26 -4.78 135.00 137.84 2wh3 n PRO 64 Ca 0.07 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 2wh3 n PRO 64 Cb 0.41 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 2wh3 n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wh3 n ILE 65 N 2.79 0.44 0.00 4.25 5.41 -1.07 -5.06 119.36 126.13 2wh3 n ILE 65 Ca 0.19 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2wh3 n ILE 65 Cb 0.19 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2wh3 n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2wh3 n SER 66 N -2.20 0.00 -4.51 4.38 3.41 -1.23 -5.07 113.62 108.39 2wh3 n SER 66 Ca -0.11 0.00 -0.55 0.00 -0.26 0.00 0.00 58.87 57.94 2wh3 n SER 66 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2wh3 n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wh3 n LYS 67 N -0.06 0.32 -3.32 4.33 4.81 -1.26 -1.75 118.16 121.23 2wh3 n LYS 67 Ca 0.00 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.44 2wh3 n LYS 67 Cb 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 35.03 33.50 2wh3 n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2wh3 n ARG 68 N 1.62 -1.48 0.00 1.64 0.63 -1.26 -4.97 116.66 112.84 2wh3 n ARG 68 Ca 0.19 1.10 0.00 0.00 -0.92 0.00 0.00 57.85 58.22 2wh3 n ARG 68 Cb 0.14 -4.87 0.00 0.00 0.45 0.00 0.00 32.46 28.18 2wh3 n ARG 68 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2wh3 n LYS 69 N -2.54 0.00 -2.94 -0.14 4.81 -0.72 -4.71 118.16 111.93 2wh3 n LYS 69 Ca -0.08 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.12 2wh3 n LYS 69 Cb 0.57 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.59 2wh3 n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wh3 n ARG 70 N 0.00 2.61 -3.64 1.64 3.00 -1.26 -2.58 116.66 116.42 2wh3 n ARG 70 Ca 0.00 -4.39 -0.06 0.00 -0.01 0.00 0.00 57.85 53.39 2wh3 n ARG 70 Cb 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 32.46 30.33 2wh3 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wh3 s PHE 71 N -3.21 -0.86 0.23 -1.55 0.08 -1.26 -2.99 117.98 108.42 2wh3 s PHE 71 Ca 0.46 1.74 0.06 0.00 0.12 0.00 0.00 56.93 59.31 2wh3 s PHE 71 Cb 0.32 0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 43.24 2wh3 s PHE 71 CO -0.12 -0.42 0.26 1.03 -0.10 0.00 0.00 175.22 175.86 2wh3 s ARG 72 N 1.40 3.17 -0.59 0.44 0.52 -1.14 -0.26 118.95 122.48 2wh3 s ARG 72 Ca -0.08 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.04 2wh3 s ARG 72 Cb -0.05 -2.74 0.07 0.00 0.52 0.00 0.00 34.95 32.75 2wh3 s ARG 72 CO -0.16 0.43 0.85 0.08 0.02 0.00 0.00 175.30 176.52 2wh3 s VAL 73 N -1.99 4.52 0.00 3.52 1.01 -1.25 -2.55 120.40 123.66 2wh3 s VAL 73 Ca 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2wh3 s VAL 73 Cb -0.09 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2wh3 s VAL 73 CO 0.27 -1.20 0.00 -0.11 0.00 0.00 0.00 175.10 174.05 2wh3 n LEU 74 N 7.14 0.00 -4.32 3.92 -0.00 0.92 -4.94 117.00 119.71 2wh3 n LEU 74 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.80 2wh3 n LEU 74 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.77 2wh3 n LEU 74 CO 0.61 0.00 -0.27 0.00 -0.00 0.00 0.00 177.39 177.74 2wh3 s ARG 75 N 0.00 1.41 0.66 1.96 1.70 -1.26 -4.94 118.95 118.47 2wh3 s ARG 75 Ca 0.00 -1.75 -0.10 0.00 -0.47 0.00 0.00 55.73 53.40 2wh3 s ARG 75 Cb 0.00 -0.34 0.15 0.00 -0.57 0.00 0.00 34.95 34.19 2wh3 s ARG 75 CO 0.00 -0.26 0.89 -0.11 -1.08 0.00 0.00 175.30 174.74 2wh3 n LEU 76 N -0.47 0.00 0.15 -1.89 7.94 -1.26 -1.43 117.00 120.04 2wh3 n LEU 76 Ca -0.01 -1.04 0.00 0.00 -1.11 0.00 0.00 56.01 53.85 2wh3 n LEU 76 Cb 0.66 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.93 2wh3 n LEU 76 CO 0.38 -1.12 0.00 0.52 -1.11 0.00 0.00 177.39 176.05 2wh3 n VAL 77 N -3.19 0.00 -4.08 1.96 0.31 -0.97 -4.77 118.33 107.59 2wh3 n VAL 77 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 2wh3 n VAL 77 Cb 0.40 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 2wh3 n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wh3 s GLU 78 N -1.84 1.53 0.02 5.55 -1.05 -1.24 -5.05 118.70 116.61 2wh3 s GLU 78 Ca 0.00 -1.48 -0.10 0.00 -0.15 0.00 0.00 54.97 53.24 2wh3 s GLU 78 Cb 0.00 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2wh3 s GLU 78 CO 0.00 -0.60 0.20 0.45 0.95 0.00 0.00 175.26 176.26 2wh3 s SER 79 N -3.11 -0.00 0.00 0.83 0.15 -1.26 -2.74 113.70 107.57 2wh3 s SER 79 Ca 0.29 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2wh3 s SER 79 Cb 0.02 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2wh3 s SER 79 CO 0.13 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2wh3 n GLY 80 N 0.97 0.73 1.34 9.45 0.00 -1.22 -4.94 105.19 111.53 2wh3 n GLY 80 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2wh3 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh3 n ARG 81 N -2.09 0.34 0.00 1.61 5.12 -1.11 -4.31 116.66 116.21 2wh3 n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh3 n ARG 81 Cb 0.00 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2wh3 n ARG 81 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wh3 n MET 82 N 1.24 0.00 -0.08 5.56 2.81 -1.26 -0.22 117.12 125.18 2wh3 n MET 82 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 2wh3 n MET 82 Cb 0.17 -1.00 -0.15 0.00 -0.71 0.00 0.00 33.22 31.53 2wh3 n MET 82 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wh3 n ASP 83 N -0.40 0.23 0.10 7.83 5.75 -1.26 -3.86 116.55 124.93 2wh3 n ASP 83 Ca 0.00 0.11 -0.05 0.00 -0.01 0.00 0.00 54.79 54.84 2wh3 n ASP 83 Cb 0.00 0.73 0.05 0.00 -1.03 0.00 0.00 41.12 40.86 2wh3 n ASP 83 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wh3 h LEU 84 N 0.00 0.12 -0.63 -2.12 3.38 -0.97 -3.10 115.31 111.99 2wh3 h LEU 84 Ca -0.48 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 2wh3 h LEU 84 Cb 2.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 2wh3 h LEU 84 CO 0.04 0.85 -0.31 0.58 0.09 0.00 0.00 178.44 179.69 2wh3 h VAL 85 N 0.06 1.28 -0.12 1.22 2.07 -1.73 -2.37 116.25 116.66 2wh3 h VAL 85 Ca -0.02 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2wh3 h VAL 85 Cb 1.37 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2wh3 h VAL 85 CO 0.11 0.48 -0.00 -0.33 0.02 0.00 0.00 177.57 177.84 2wh3 h GLU 86 N 0.63 0.17 0.00 1.57 4.39 -1.65 0.82 114.58 120.51 2wh3 h GLU 86 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2wh3 h GLU 86 Cb 0.83 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2wh3 h GLU 86 CO 0.07 0.19 -0.03 0.87 -1.16 0.00 0.00 179.01 178.95 2wh3 h LYS 87 N 0.17 0.00 0.01 2.33 1.79 -1.36 -0.69 116.57 118.82 2wh3 h LYS 87 Ca 0.04 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.12 2wh3 h LYS 87 Cb 0.13 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 2wh3 h LYS 87 CO 0.00 0.03 -2.25 0.98 -1.08 0.00 0.00 179.45 177.13 2wh3 n TYR 88 N -3.18 0.31 -0.26 -1.35 9.36 0.11 -3.49 117.16 118.66 2wh3 n TYR 88 Ca -0.01 0.11 -0.03 0.00 3.32 0.00 0.00 57.90 61.29 2wh3 n TYR 88 Cb 0.25 -1.04 0.15 0.00 -0.63 0.00 0.00 39.34 38.07 2wh3 n TYR 88 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wh3 h LEU 89 N -0.64 0.99 0.33 2.98 3.38 0.49 -1.94 115.31 120.90 2wh3 h LEU 89 Ca -0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 2wh3 h LEU 89 Cb 1.68 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2wh3 h LEU 89 CO -0.25 0.81 -0.16 0.40 0.09 0.00 0.00 178.44 179.33 2wh3 h ILE 90 N 1.10 0.57 -1.07 1.22 1.08 -1.34 -1.22 117.51 117.84 2wh3 h ILE 90 Ca 0.27 -0.68 0.31 0.00 -0.39 0.00 0.00 64.86 64.37 2wh3 h ILE 90 Cb 0.07 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 2wh3 h ILE 90 CO -0.04 0.11 0.95 -0.09 -0.69 0.00 0.00 178.15 178.39 2wh3 h ARG 91 N -0.88 0.00 0.09 2.37 2.43 -1.56 0.19 114.38 117.02 2wh3 h ARG 91 Ca -0.05 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.90 2wh3 h ARG 91 Cb 0.53 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2wh3 h ARG 91 CO 0.08 0.00 -1.14 -0.09 -1.51 0.00 0.00 179.97 177.31 2wh3 h ARG 92 N 0.00 0.20 0.00 0.20 2.43 -1.12 -3.31 114.38 112.78 2wh3 h ARG 92 Ca 0.51 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2wh3 h ARG 92 Cb 2.40 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.07 2wh3 h ARG 92 CO -0.01 1.16 0.00 1.04 -1.51 0.00 0.00 179.97 180.66 2wh3 n GLN 93 N -4.09 0.01 0.00 0.20 6.02 0.61 -0.09 117.38 120.04 2wh3 n GLN 93 Ca -0.22 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.28 2wh3 n GLN 93 Cb 0.81 -1.50 0.51 0.00 1.02 0.00 0.00 30.24 31.08 2wh3 n GLN 93 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wh3 n ASN 94 N -1.40 0.17 0.10 1.08 4.13 -0.90 -3.40 115.26 115.04 2wh3 n ASN 94 Ca 0.01 0.29 0.12 0.00 1.68 0.00 0.00 54.58 56.68 2wh3 n ASN 94 Cb 0.02 -0.29 0.45 0.00 -1.54 0.00 0.00 39.78 38.42 2wh3 n ASN 94 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2wh3 n TYR 95 N -1.53 0.74 0.01 3.10 4.01 0.87 -3.12 117.16 121.24 2wh3 n TYR 95 Ca 0.06 0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.92 2wh3 n TYR 95 Cb 0.34 -0.89 -0.09 0.00 -0.31 0.00 0.00 39.34 38.39 2wh3 n TYR 95 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2wh3 h GLU 96 N 0.00 -0.04 0.00 -0.72 4.57 -1.73 -3.10 114.58 113.56 2wh3 h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wh3 h GLU 96 Cb 0.56 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2wh3 h GLU 96 CO 0.00 0.36 0.00 -1.13 -1.18 0.00 0.00 179.01 177.06 2wh3 n SER 97 N -4.91 0.00 -1.26 1.04 3.41 -1.18 -3.35 113.62 107.37 2wh3 n SER 97 Ca -0.08 -0.81 -0.01 0.00 -0.26 0.00 0.00 58.87 57.70 2wh3 n SER 97 Cb 0.22 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.40 2wh3 n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wh3 n LEU 98 N -0.81 4.51 0.00 1.04 4.77 -1.17 -5.00 117.00 120.33 2wh3 n LEU 98 Ca 0.09 -3.42 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 2wh3 n LEU 98 Cb 0.04 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2wh3 n LEU 98 CO 0.07 0.97 0.00 -1.54 -1.33 0.00 0.00 177.39 175.56 2wh3 n SER 99 N -0.78 0.35 -2.87 -1.43 3.41 -1.21 -5.10 113.62 105.99 2wh3 n SER 99 Ca 0.32 -0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 2wh3 n SER 99 Cb 1.08 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.08 2wh3 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wh3 n LYS 100 N -0.40 1.02 0.00 4.33 5.02 -1.26 -5.17 118.16 121.70 2wh3 n LYS 100 Ca 0.00 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 2wh3 n LYS 100 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2wh3 n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75