#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n LYS 3 N 0.00 0.00 -1.36 0.54 5.02 -1.26 -4.69 118.16 116.41 2wh1 n LYS 3 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 2wh1 n LYS 3 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 2wh1 n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wh1 n LYS 4 N 5.88 0.06 -4.05 1.97 3.00 -1.26 -4.54 118.16 119.22 2wh1 n LYS 4 Ca 0.45 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.66 2wh1 n LYS 4 Cb 0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 35.03 33.88 2wh1 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wh1 s VAL 5 N -1.35 0.46 0.02 3.15 1.01 -1.26 -0.98 120.40 121.45 2wh1 s VAL 5 Ca 0.62 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2wh1 s VAL 5 Cb -0.77 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2wh1 s VAL 5 CO 0.59 -0.43 0.35 -0.76 0.00 0.00 0.00 175.10 174.86 2wh1 s LEU 6 N -1.62 0.68 -0.07 3.92 1.43 -0.76 -4.96 118.68 117.29 2wh1 s LEU 6 Ca -0.10 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2wh1 s LEU 6 Cb -0.09 1.47 -0.01 0.00 0.03 0.00 0.00 46.19 47.58 2wh1 s LEU 6 CO -0.00 -0.56 -0.21 0.42 0.23 0.00 0.00 176.35 176.23 2wh1 s THR 7 N -1.97 2.43 -0.07 5.49 -4.23 -1.26 0.22 115.64 116.25 2wh1 s THR 7 Ca -0.09 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 2wh1 s THR 7 Cb -0.03 -1.92 0.11 0.00 1.34 0.00 0.00 72.50 72.00 2wh1 s THR 7 CO 0.01 0.57 0.92 -0.83 -0.54 0.00 0.00 174.62 174.74 2wh1 s GLY 8 N -0.16 -0.40 0.76 3.99 0.00 -0.82 -4.57 107.32 106.12 2wh1 s GLY 8 Ca -0.03 1.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.97 2wh1 s GLY 8 CO 0.04 0.64 1.23 0.14 0.00 0.00 0.00 173.10 175.15 2wh1 s VAL 9 N -2.22 2.05 -0.29 1.40 1.01 -0.92 -3.10 120.40 118.33 2wh1 s VAL 9 Ca 0.01 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2wh1 s VAL 9 Cb -0.01 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2wh1 s VAL 9 CO -0.04 -0.01 0.20 -0.69 0.00 0.00 0.00 175.10 174.56 2wh1 s VAL 10 N -1.93 5.28 -0.21 2.92 1.01 -1.03 -0.42 120.40 126.01 2wh1 s VAL 10 Ca 0.76 0.08 0.15 0.00 0.00 0.00 0.00 61.98 62.97 2wh1 s VAL 10 Cb -0.31 -3.55 0.57 0.00 0.00 0.00 0.00 36.38 33.09 2wh1 s VAL 10 CO 0.47 0.20 1.49 1.33 0.00 0.00 0.00 175.10 178.60 2wh1 n VAL 11 N 5.07 2.43 0.00 2.92 0.24 -0.13 -2.76 118.33 126.10 2wh1 n VAL 11 Ca -0.14 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 2wh1 n VAL 11 Cb 0.52 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 2wh1 n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2wh1 n SER 12 N -0.46 0.00 -1.95 -1.34 2.88 -1.25 -4.90 113.62 106.60 2wh1 n SER 12 Ca 0.25 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.76 2wh1 n SER 12 Cb 0.99 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.48 2wh1 n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wh1 n ASP 13 N 0.00 -0.78 0.12 -3.46 5.75 -1.26 -2.60 116.55 114.32 2wh1 n ASP 13 Ca 0.00 -2.10 0.13 0.00 -0.01 0.00 0.00 54.79 52.81 2wh1 n ASP 13 Cb 0.00 0.34 0.44 0.00 -1.03 0.00 0.00 41.12 40.88 2wh1 n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wh1 n LYS 14 N -0.70 0.24 -3.37 0.11 5.02 -1.26 -4.80 118.16 113.40 2wh1 n LYS 14 Ca -0.17 0.31 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 2wh1 n LYS 14 Cb 0.83 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 2wh1 n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wh1 s MET 15 N -3.20 3.49 -0.27 1.97 -1.94 -1.26 -5.06 119.30 113.03 2wh1 s MET 15 Ca 0.08 -0.31 -0.24 0.00 -1.71 0.00 0.00 55.69 53.51 2wh1 s MET 15 Cb 0.11 -2.66 -0.00 0.00 2.01 0.00 0.00 34.83 34.28 2wh1 s MET 15 CO 0.51 0.15 0.80 -0.65 -0.01 0.00 0.00 175.02 175.82 2wh1 s GLN 16 N -4.26 4.10 -1.12 2.03 -0.21 -1.26 -3.92 119.66 115.02 2wh1 s GLN 16 Ca 0.40 0.78 -0.05 0.00 0.02 0.00 0.00 55.36 56.52 2wh1 s GLN 16 Cb -0.10 -3.67 0.01 0.00 1.00 0.00 0.00 33.01 30.25 2wh1 s GLN 16 CO 0.36 -0.56 0.96 1.63 -2.12 0.00 0.00 175.29 175.56 2wh1 n LYS 17 N 6.05 -6.45 -3.47 2.91 5.02 -1.26 -5.00 118.16 115.96 2wh1 n LYS 17 Ca 0.04 0.73 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 2wh1 n LYS 17 Cb 0.48 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.03 2wh1 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wh1 s THR 18 N -3.29 0.00 -0.18 -0.18 2.01 -1.25 -3.06 115.64 109.68 2wh1 s THR 18 Ca 0.30 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 2wh1 s THR 18 Cb -0.13 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.43 2wh1 s THR 18 CO 0.63 0.00 0.48 0.68 -0.69 0.00 0.00 174.62 175.72 2wh1 s VAL 19 N -3.01 -0.01 -0.01 3.82 -7.23 0.24 -4.47 120.40 109.74 2wh1 s VAL 19 Ca -0.00 0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.91 2wh1 s VAL 19 Cb -0.01 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2wh1 s VAL 19 CO -0.07 0.01 0.91 -0.89 -0.31 0.00 0.00 175.10 174.75 2wh1 s THR 20 N 0.59 4.88 -0.24 5.32 2.01 -1.07 -0.33 115.64 126.81 2wh1 s THR 20 Ca -0.03 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2wh1 s THR 20 Cb -0.05 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.26 2wh1 s THR 20 CO -0.04 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.31 2wh1 s VAL 21 N 0.87 1.84 -0.59 3.82 1.01 -0.19 -0.95 120.40 126.22 2wh1 s VAL 21 Ca 0.48 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2wh1 s VAL 21 Cb -0.20 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2wh1 s VAL 21 CO 0.26 0.01 1.13 -0.22 0.00 0.00 0.00 175.10 176.28 2wh1 s LEU 22 N 1.27 3.60 -0.21 3.92 2.96 0.44 -1.24 118.68 129.42 2wh1 s LEU 22 Ca -0.06 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2wh1 s LEU 22 Cb -0.19 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 2wh1 s LEU 22 CO -0.06 -1.45 0.06 -0.69 -1.32 0.00 0.00 176.35 172.89 2wh1 s VAL 23 N 4.76 4.56 0.58 1.68 1.01 -0.15 -2.16 120.40 130.69 2wh1 s VAL 23 Ca 0.39 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2wh1 s VAL 23 Cb -0.09 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.34 2wh1 s VAL 23 CO 0.23 0.41 0.79 -0.62 0.00 0.00 0.00 175.10 175.90 2wh1 n GLU 24 N 4.07 -0.80 0.00 2.72 1.02 -1.26 -2.00 120.64 124.38 2wh1 n GLU 24 Ca -0.16 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.76 2wh1 n GLU 24 Cb 0.52 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 2wh1 n GLU 24 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2wh1 n ARG 25 N -2.69 0.00 -4.15 3.49 0.63 -1.22 -4.86 116.66 107.85 2wh1 n ARG 25 Ca 0.10 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.80 2wh1 n ARG 25 Cb 0.34 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.20 2wh1 n ARG 25 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2wh1 s GLN 26 N 0.00 2.77 -0.15 -0.14 -2.07 -1.26 -1.96 119.66 116.84 2wh1 s GLN 26 Ca 0.00 -1.10 -0.32 0.00 -1.82 0.00 0.00 55.36 52.12 2wh1 s GLN 26 Cb 0.00 -2.49 0.13 0.00 -1.09 0.00 0.00 33.01 29.57 2wh1 s GLN 26 CO 0.00 0.41 1.10 -0.59 -1.32 0.00 0.00 175.29 174.89 2wh1 s PHE 27 N -2.10 -0.23 0.20 9.60 -0.12 -1.14 -4.93 117.98 119.26 2wh1 s PHE 27 Ca 0.32 0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 57.15 2wh1 s PHE 27 Cb -0.08 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 2wh1 s PHE 27 CO 0.23 -0.29 1.16 -2.14 -0.05 0.00 0.00 175.22 174.13 2wh1 s PRO 28 N -2.05 4.53 0.17 1.99 0.02 -1.26 -0.85 135.00 137.55 2wh1 s PRO 28 Ca 0.05 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 62.60 2wh1 s PRO 28 Cb -0.01 -3.24 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 2wh1 s PRO 28 CO -0.04 -0.01 1.40 -1.58 -0.33 0.00 0.00 177.00 176.44 2wh1 s HIS 29 N -0.28 3.19 -1.40 6.54 2.46 0.75 -4.86 115.29 121.68 2wh1 s HIS 29 Ca 0.51 0.99 0.00 0.00 0.47 0.00 0.00 55.06 57.03 2wh1 s HIS 29 Cb -0.32 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2wh1 s HIS 29 CO 0.37 -2.43 0.08 -0.35 -2.47 0.00 0.00 174.74 169.94 2wh1 n PRO 30 N 3.33 0.12 0.00 2.88 -0.04 -1.26 -1.36 135.00 138.67 2wh1 n PRO 30 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2wh1 n PRO 30 Cb 0.42 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2wh1 n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wh1 n LEU 31 N 0.06 0.00 -0.10 1.53 7.94 -1.26 -4.94 117.00 120.23 2wh1 n LEU 31 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2wh1 n LEU 31 Cb 0.02 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.06 2wh1 n LEU 31 CO 0.00 0.00 0.51 -1.22 -1.11 0.00 0.00 177.39 175.57 2wh1 n TYR 32 N 0.00 0.00 0.00 1.96 0.53 -1.16 -5.04 117.16 113.45 2wh1 n TYR 32 Ca 0.00 -0.77 0.00 0.00 -1.02 0.00 0.00 57.90 56.11 2wh1 n TYR 32 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 39.34 38.19 2wh1 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wh1 n GLY 33 N -1.07 0.25 0.00 2.72 0.00 -0.46 -4.73 105.19 101.90 2wh1 n GLY 33 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2wh1 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wh1 n LYS 34 N 0.00 0.00 -1.63 1.61 4.81 -1.26 0.27 118.16 121.96 2wh1 n LYS 34 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2wh1 n LYS 34 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 2wh1 n LYS 34 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wh1 n VAL 35 N 0.03 3.32 -3.74 3.15 0.31 -1.26 -3.13 118.33 117.01 2wh1 n VAL 35 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 2wh1 n VAL 35 Cb 0.00 -1.22 -0.14 0.00 -0.91 0.00 0.00 33.84 31.57 2wh1 n VAL 35 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2wh1 s ILE 36 N -1.42 -0.04 0.51 2.52 -4.36 -0.03 -4.91 121.20 113.47 2wh1 s ILE 36 Ca 0.71 0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 61.08 2wh1 s ILE 36 Cb -0.45 -0.31 -0.07 0.00 1.25 0.00 0.00 42.46 42.87 2wh1 s ILE 36 CO 0.50 0.06 1.01 -0.54 0.24 0.00 0.00 174.94 176.22 2wh1 s LYS 37 N 1.19 3.78 -0.30 0.37 1.02 -1.26 -2.89 119.74 121.64 2wh1 s LYS 37 Ca -0.09 1.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.99 2wh1 s LYS 37 Cb -0.11 -2.10 0.18 0.00 -0.52 0.00 0.00 37.83 35.28 2wh1 s LYS 37 CO -0.07 -0.42 0.81 0.50 -0.92 0.00 0.00 175.35 175.25 2wh1 s ARG 38 N -3.70 0.39 0.46 1.68 6.06 -0.83 -4.98 118.95 118.03 2wh1 s ARG 38 Ca 0.63 0.73 0.02 0.00 -2.50 0.00 0.00 55.73 54.61 2wh1 s ARG 38 Cb -0.13 0.41 0.01 0.00 0.06 0.00 0.00 34.95 35.30 2wh1 s ARG 38 CO 0.27 -0.40 0.67 -1.54 -2.50 0.00 0.00 175.30 171.80 2wh1 s SER 39 N 2.87 5.66 0.03 -2.12 1.04 -1.26 -3.44 113.70 116.49 2wh1 s SER 39 Ca 0.09 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 2wh1 s SER 39 Cb -0.12 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 64.80 2wh1 s SER 39 CO -0.17 -0.81 0.31 -0.75 0.98 0.00 0.00 173.24 172.81 2wh1 s LYS 40 N -4.55 0.79 -0.11 4.02 2.20 -0.85 -5.00 119.74 116.23 2wh1 s LYS 40 Ca 0.51 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2wh1 s LYS 40 Cb -0.10 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2wh1 s LYS 40 CO 0.37 -0.25 -0.12 0.15 -0.36 0.00 0.00 175.35 175.14 2wh1 s LYS 41 N -2.26 3.22 -0.11 4.03 1.02 -1.26 -0.98 119.74 123.39 2wh1 s LYS 41 Ca -0.07 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2wh1 s LYS 41 Cb -0.02 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2wh1 s LYS 41 CO -0.01 0.32 -0.17 0.71 -0.92 0.00 0.00 175.35 175.27 2wh1 s TYR 42 N 0.08 2.71 -0.99 3.18 1.51 -0.37 -4.90 117.35 118.57 2wh1 s TYR 42 Ca -0.05 -0.73 -0.23 0.00 -1.01 0.00 0.00 57.07 55.05 2wh1 s TYR 42 Cb -0.14 -1.78 0.06 0.00 -0.11 0.00 0.00 41.96 39.99 2wh1 s TYR 42 CO 0.04 -0.25 1.40 -0.51 -1.11 0.00 0.00 175.55 175.12 2wh1 s LEU 43 N 0.25 3.68 0.50 -1.29 1.43 -1.26 -1.02 118.68 120.97 2wh1 s LEU 43 Ca -0.12 -1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 51.34 2wh1 s LEU 43 Cb -0.16 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 2wh1 s LEU 43 CO 0.06 -1.48 1.01 0.00 0.23 0.00 0.00 176.35 176.18 2wh1 s ALA 44 N 4.74 2.92 0.84 4.21 0.00 0.55 -4.36 121.76 130.65 2wh1 s ALA 44 Ca 0.43 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 2wh1 s ALA 44 Cb -0.01 -3.20 0.12 0.00 0.00 0.00 0.00 23.12 20.02 2wh1 s ALA 44 CO -0.08 -0.31 1.19 -1.58 0.00 0.00 0.00 175.76 174.97 2wh1 s HIS 45 N -2.25 2.47 0.00 0.00 2.46 0.61 -0.60 115.29 117.99 2wh1 s HIS 45 Ca 0.64 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.69 2wh1 s HIS 45 Cb -0.13 -3.62 0.00 0.00 -0.13 0.00 0.00 32.58 28.69 2wh1 s HIS 45 CO 0.24 -1.99 0.00 -3.47 -2.47 0.00 0.00 174.74 167.06 2wh1 n ASP 46 N -3.38 0.00 -0.73 9.88 4.64 -1.17 -3.77 116.55 122.01 2wh1 n ASP 46 Ca 0.10 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.51 2wh1 n ASP 46 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.68 2wh1 n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wh1 n PRO 47 N 0.00 0.51 0.00 -0.67 -0.04 -1.26 -2.16 135.00 131.37 2wh1 n PRO 47 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wh1 n PRO 47 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2wh1 n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh1 n GLU 48 N 0.48 0.00 -4.30 0.54 1.02 -1.26 -5.00 120.64 112.12 2wh1 n GLU 48 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2wh1 n GLU 48 Cb 0.19 -0.18 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2wh1 n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh1 n GLU 49 N 0.00 -1.53 0.08 3.49 -0.58 -0.92 -4.79 120.64 116.39 2wh1 n GLU 49 Ca 0.00 0.19 0.01 0.00 -0.42 0.00 0.00 57.16 56.94 2wh1 n GLU 49 Cb 0.13 -4.17 -0.04 0.00 -0.57 0.00 0.00 31.44 26.79 2wh1 n GLU 49 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 2wh1 h LYS 50 N -1.55 0.00 -5.00 3.49 2.10 -1.94 -3.44 116.57 110.22 2wh1 h LYS 50 Ca -0.63 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.39 2wh1 h LYS 50 Cb 1.39 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.56 2wh1 h LYS 50 CO 0.75 0.37 -0.49 0.71 -2.00 0.00 0.00 179.45 178.79 2wh1 s TYR 51 N -2.96 3.26 0.36 0.07 1.51 -1.26 -5.09 117.35 113.25 2wh1 s TYR 51 Ca -0.00 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2wh1 s TYR 51 Cb 0.08 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2wh1 s TYR 51 CO 0.78 -0.07 0.54 -1.59 -1.11 0.00 0.00 175.55 174.11 2wh1 s LYS 52 N 1.49 3.32 -0.15 -0.62 0.00 -1.26 -4.98 119.74 117.53 2wh1 s LYS 52 Ca 0.08 -0.53 -0.31 0.00 0.00 0.00 0.00 55.97 55.21 2wh1 s LYS 52 Cb -0.15 -2.69 -0.08 0.00 0.00 0.00 0.00 37.83 34.91 2wh1 s LYS 52 CO 0.08 0.07 2.09 -0.11 0.00 0.00 0.00 175.35 177.48 2wh1 n LEU 53 N -1.79 3.37 0.00 2.77 7.94 -1.26 -2.76 117.00 125.27 2wh1 n LEU 53 Ca -0.03 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2wh1 n LEU 53 Cb 0.57 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2wh1 n LEU 53 CO 0.47 -0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.01 2wh1 n GLY 54 N 5.32 1.00 0.00 -3.96 0.00 -1.11 -4.98 105.19 101.45 2wh1 n GLY 54 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2wh1 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wh1 n ASP 55 N 0.00 -0.35 -2.94 1.61 8.00 -1.11 -2.72 116.55 119.03 2wh1 n ASP 55 Ca 0.00 -0.48 -0.11 0.00 0.71 0.00 0.00 54.79 54.91 2wh1 n ASP 55 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2wh1 n ASP 55 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wh1 n VAL 56 N -1.58 -0.35 -2.20 2.53 0.31 -1.11 -2.47 118.33 113.45 2wh1 n VAL 56 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 64.34 62.54 2wh1 n VAL 56 Cb 0.00 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 2wh1 n VAL 56 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wh1 n VAL 57 N 2.76 0.00 -4.91 2.52 0.24 -1.18 -2.39 118.33 115.37 2wh1 n VAL 57 Ca 0.21 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.23 2wh1 n VAL 57 Cb 0.54 -1.24 -0.15 0.00 -1.47 0.00 0.00 33.84 31.53 2wh1 n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wh1 s GLU 58 N -0.76 1.67 0.21 7.34 2.02 -0.46 -1.94 118.70 126.78 2wh1 s GLU 58 Ca 0.00 -0.93 0.06 0.00 0.02 0.00 0.00 54.97 54.12 2wh1 s GLU 58 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 2wh1 s GLU 58 CO 0.00 0.46 0.19 0.42 0.02 0.00 0.00 175.26 176.35 2wh1 s ILE 59 N -0.69 4.55 -0.28 -1.63 -1.09 0.60 0.15 121.20 122.82 2wh1 s ILE 59 Ca 0.09 -1.23 -0.08 0.00 -2.23 0.00 0.00 60.65 57.21 2wh1 s ILE 59 Cb -0.09 -3.40 0.13 0.00 -1.58 0.00 0.00 42.46 37.52 2wh1 s ILE 59 CO 0.01 -0.25 0.59 -0.51 -1.23 0.00 0.00 174.94 173.54 2wh1 s ILE 60 N -1.97 -0.92 -0.02 2.92 2.07 -1.07 -1.83 121.20 120.39 2wh1 s ILE 60 Ca 0.32 0.03 -0.32 0.00 -1.41 0.00 0.00 60.65 59.27 2wh1 s ILE 60 Cb -0.09 -0.93 -0.16 0.00 0.13 0.00 0.00 42.46 41.42 2wh1 s ILE 60 CO 0.25 0.01 0.86 1.21 -1.91 0.00 0.00 174.94 175.36 2wh1 n GLU 61 N 5.43 0.00 -4.21 3.50 2.13 -0.15 -2.92 120.64 124.42 2wh1 n GLU 61 Ca -0.09 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.55 2wh1 n GLU 61 Cb 0.49 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 30.96 2wh1 n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wh1 s SER 62 N 0.12 1.37 0.22 4.31 0.01 -1.17 -4.85 113.70 113.71 2wh1 s SER 62 Ca 0.72 -1.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 2wh1 s SER 62 Cb -1.01 0.59 -0.09 0.00 0.21 0.00 0.00 66.02 65.72 2wh1 s SER 62 CO 0.46 -1.15 1.38 -0.60 0.41 0.00 0.00 173.24 173.75 2wh1 s ARG 63 N -3.31 4.32 0.06 12.44 3.52 -1.26 -4.71 118.95 130.01 2wh1 s ARG 63 Ca 0.37 2.18 -0.37 0.00 -0.13 0.00 0.00 55.73 57.79 2wh1 s ARG 63 Cb 0.01 -3.15 -0.17 0.00 -1.56 0.00 0.00 34.95 30.08 2wh1 s ARG 63 CO 0.25 -0.35 1.37 -2.30 -0.81 0.00 0.00 175.30 173.46 2wh1 n PRO 64 N 2.59 1.16 -0.03 5.12 -0.02 -1.26 -4.79 135.00 137.77 2wh1 n PRO 64 Ca 0.07 0.42 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2wh1 n PRO 64 Cb 0.41 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2wh1 n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wh1 n ILE 65 N 2.69 0.41 0.00 4.25 5.41 -1.06 -5.06 119.36 125.99 2wh1 n ILE 65 Ca 0.19 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2wh1 n ILE 65 Cb 0.19 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2wh1 n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2wh1 n SER 66 N -2.17 0.00 -4.52 4.38 3.41 -1.23 -5.07 113.62 108.42 2wh1 n SER 66 Ca -0.11 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 57.96 2wh1 n SER 66 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2wh1 n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wh1 n LYS 67 N -0.05 0.42 -3.34 4.33 4.81 -1.26 -1.85 118.16 121.22 2wh1 n LYS 67 Ca 0.00 0.15 -0.12 0.00 -0.87 0.00 0.00 58.31 57.47 2wh1 n LYS 67 Cb 0.00 -1.60 0.01 0.00 0.02 0.00 0.00 35.03 33.47 2wh1 n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2wh1 n ARG 68 N 1.64 -1.45 0.00 1.64 0.63 -1.26 -4.97 116.66 112.90 2wh1 n ARG 68 Ca 0.18 1.12 0.00 0.00 -0.92 0.00 0.00 57.85 58.23 2wh1 n ARG 68 Cb 0.16 -4.74 0.00 0.00 0.45 0.00 0.00 32.46 28.33 2wh1 n ARG 68 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2wh1 n LYS 69 N -2.46 0.00 -2.93 -0.14 4.81 -0.77 -4.72 118.16 111.95 2wh1 n LYS 69 Ca -0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.11 2wh1 n LYS 69 Cb 0.57 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.59 2wh1 n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wh1 n ARG 70 N 0.00 2.63 -3.64 1.64 3.00 -1.26 -2.58 116.66 116.45 2wh1 n ARG 70 Ca 0.00 -4.40 -0.06 0.00 -0.01 0.00 0.00 57.85 53.38 2wh1 n ARG 70 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 32.46 30.32 2wh1 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wh1 s PHE 71 N -3.22 -0.88 0.22 -1.55 0.08 -1.26 -3.02 117.98 108.35 2wh1 s PHE 71 Ca 0.46 1.80 0.05 0.00 0.12 0.00 0.00 56.93 59.36 2wh1 s PHE 71 Cb 0.32 0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 43.25 2wh1 s PHE 71 CO -0.12 -0.44 0.27 1.03 -0.10 0.00 0.00 175.22 175.86 2wh1 s ARG 72 N 1.41 3.20 -0.57 0.44 0.52 -1.15 -0.28 118.95 122.53 2wh1 s ARG 72 Ca -0.09 -0.85 -0.21 0.00 -0.52 0.00 0.00 55.73 54.06 2wh1 s ARG 72 Cb -0.05 -2.76 0.06 0.00 0.52 0.00 0.00 34.95 32.73 2wh1 s ARG 72 CO -0.17 0.44 0.81 0.08 0.02 0.00 0.00 175.30 176.49 2wh1 s VAL 73 N -1.98 4.58 0.00 3.52 1.01 -1.25 -2.59 120.40 123.70 2wh1 s VAL 73 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wh1 s VAL 73 Cb -0.09 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.80 2wh1 s VAL 73 CO 0.27 -1.10 0.00 -0.11 0.00 0.00 0.00 175.10 174.16 2wh1 n LEU 74 N 6.96 0.00 -4.31 3.92 -0.00 0.12 -4.94 117.00 118.76 2wh1 n LEU 74 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.81 2wh1 n LEU 74 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.77 2wh1 n LEU 74 CO 0.60 0.00 -0.28 0.00 -0.00 0.00 0.00 177.39 177.71 2wh1 s ARG 75 N 0.00 1.36 0.57 1.96 1.70 -1.26 -4.94 118.95 118.33 2wh1 s ARG 75 Ca 0.00 -1.72 -0.09 0.00 -0.47 0.00 0.00 55.73 53.45 2wh1 s ARG 75 Cb 0.00 -0.33 0.13 0.00 -0.57 0.00 0.00 34.95 34.18 2wh1 s ARG 75 CO 0.00 -0.24 0.77 -0.11 -1.08 0.00 0.00 175.30 174.64 2wh1 n LEU 76 N -0.43 0.00 0.16 -1.89 7.94 -1.26 -1.35 117.00 120.17 2wh1 n LEU 76 Ca -0.02 -0.86 0.00 0.00 -1.11 0.00 0.00 56.01 54.03 2wh1 n LEU 76 Cb 0.65 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2wh1 n LEU 76 CO 0.37 -1.05 0.00 0.52 -1.11 0.00 0.00 177.39 176.12 2wh1 n VAL 77 N -3.05 0.00 -4.08 1.96 0.31 -1.01 -4.76 118.33 107.70 2wh1 n VAL 77 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.31 2wh1 n VAL 77 Cb 0.34 -0.31 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 2wh1 n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wh1 s GLU 78 N -1.90 1.54 0.02 5.55 -1.05 -1.24 -5.05 118.70 116.57 2wh1 s GLU 78 Ca 0.00 -1.48 -0.09 0.00 -0.15 0.00 0.00 54.97 53.25 2wh1 s GLU 78 Cb 0.00 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2wh1 s GLU 78 CO 0.00 -0.61 0.19 0.45 0.95 0.00 0.00 175.26 176.24 2wh1 s SER 79 N -3.11 0.01 0.00 0.83 0.15 -1.26 -2.76 113.70 107.56 2wh1 s SER 79 Ca 0.29 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2wh1 s SER 79 Cb 0.01 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2wh1 s SER 79 CO 0.13 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2wh1 n GLY 80 N 0.98 0.76 1.33 9.45 0.00 -1.22 -4.94 105.19 111.55 2wh1 n GLY 80 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2wh1 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh1 n ARG 81 N -2.12 0.39 0.00 1.61 5.12 -1.10 -4.32 116.66 116.23 2wh1 n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh1 n ARG 81 Cb 0.00 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2wh1 n ARG 81 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2wh1 n MET 82 N 1.22 0.00 -0.08 5.56 2.81 -1.26 -0.24 117.12 125.13 2wh1 n MET 82 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 2wh1 n MET 82 Cb 0.19 -1.00 -0.15 0.00 -0.71 0.00 0.00 33.22 31.55 2wh1 n MET 82 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wh1 n ASP 83 N -0.34 0.27 0.10 7.83 5.75 -1.26 -3.87 116.55 125.02 2wh1 n ASP 83 Ca 0.00 0.09 -0.05 0.00 -0.01 0.00 0.00 54.79 54.82 2wh1 n ASP 83 Cb 0.00 0.70 0.08 0.00 -1.03 0.00 0.00 41.12 40.87 2wh1 n ASP 83 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wh1 h LEU 84 N 0.00 0.16 -0.62 -2.12 3.38 -0.99 -3.10 115.31 112.03 2wh1 h LEU 84 Ca -0.49 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 2wh1 h LEU 84 Cb 2.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 2wh1 h LEU 84 CO 0.04 0.83 -0.28 0.58 0.09 0.00 0.00 178.44 179.70 2wh1 h VAL 85 N 0.09 1.28 0.00 1.22 2.07 -1.73 -2.09 116.25 117.09 2wh1 h VAL 85 Ca -0.02 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 2wh1 h VAL 85 Cb 1.28 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2wh1 h VAL 85 CO 0.11 0.47 -0.09 -0.33 0.02 0.00 0.00 177.57 177.75 2wh1 h GLU 86 N 0.68 0.00 0.00 1.57 4.39 -1.65 0.84 114.58 120.41 2wh1 h GLU 86 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2wh1 h GLU 86 Cb 0.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2wh1 h GLU 86 CO 0.07 0.09 -0.03 0.87 -1.16 0.00 0.00 179.01 178.84 2wh1 h LYS 87 N 0.00 0.00 0.01 2.33 1.79 -1.31 -0.93 116.57 118.46 2wh1 h LYS 87 Ca -0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 2wh1 h LYS 87 Cb 0.15 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 2wh1 h LYS 87 CO 0.01 0.03 -2.15 0.98 -1.08 0.00 0.00 179.45 177.24 2wh1 n TYR 88 N -3.16 0.37 -0.29 -1.35 9.36 0.15 -3.48 117.16 118.75 2wh1 n TYR 88 Ca -0.00 0.14 -0.01 0.00 3.32 0.00 0.00 57.90 61.35 2wh1 n TYR 88 Cb 0.28 -1.04 0.17 0.00 -0.63 0.00 0.00 39.34 38.12 2wh1 n TYR 88 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wh1 h LEU 89 N -0.78 1.01 0.30 2.98 3.38 0.46 -1.75 115.31 120.90 2wh1 h LEU 89 Ca -0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 2wh1 h LEU 89 Cb 1.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2wh1 h LEU 89 CO -0.29 0.76 -0.14 0.40 0.09 0.00 0.00 178.44 179.26 2wh1 h ILE 90 N 1.18 0.65 -1.28 1.22 1.08 -1.38 -1.15 117.51 117.82 2wh1 h ILE 90 Ca 0.31 -0.73 0.37 0.00 -0.39 0.00 0.00 64.86 64.43 2wh1 h ILE 90 Cb -0.09 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 2wh1 h ILE 90 CO -0.06 0.13 1.01 -0.09 -0.69 0.00 0.00 178.15 178.44 2wh1 h ARG 91 N -0.84 0.00 0.08 2.37 2.43 -1.55 0.18 114.38 117.05 2wh1 h ARG 91 Ca -0.04 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 2wh1 h ARG 91 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2wh1 h ARG 91 CO 0.07 0.00 -0.92 -0.09 -1.51 0.00 0.00 179.97 177.52 2wh1 h ARG 92 N 0.00 0.17 0.00 0.20 2.43 -1.11 -3.30 114.38 112.77 2wh1 h ARG 92 Ca 0.61 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2wh1 h ARG 92 Cb 2.62 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.27 2wh1 h ARG 92 CO -0.01 1.14 0.00 1.04 -1.51 0.00 0.00 179.97 180.63 2wh1 n GLN 93 N -4.20 0.00 0.01 0.20 6.02 0.59 -0.03 117.38 119.96 2wh1 n GLN 93 Ca -0.20 0.37 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2wh1 n GLN 93 Cb 0.76 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 31.00 2wh1 n GLN 93 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wh1 n ASN 94 N -1.38 0.21 0.10 1.08 4.13 -0.91 -3.37 115.26 115.13 2wh1 n ASN 94 Ca 0.00 0.27 0.13 0.00 1.68 0.00 0.00 54.58 56.65 2wh1 n ASN 94 Cb 0.00 -0.27 0.44 0.00 -1.54 0.00 0.00 39.78 38.42 2wh1 n ASN 94 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2wh1 n TYR 95 N -1.55 0.82 -0.01 3.10 4.01 0.95 -3.13 117.16 121.34 2wh1 n TYR 95 Ca 0.06 0.26 -0.13 0.00 -0.16 0.00 0.00 57.90 57.94 2wh1 n TYR 95 Cb 0.35 -0.93 -0.09 0.00 -0.31 0.00 0.00 39.34 38.36 2wh1 n TYR 95 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2wh1 h GLU 96 N 0.00 0.07 0.00 -0.72 4.57 -1.73 -3.09 114.58 113.68 2wh1 h GLU 96 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wh1 h GLU 96 Cb 0.60 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2wh1 h GLU 96 CO 0.00 0.41 0.00 -1.13 -1.18 0.00 0.00 179.01 177.11 2wh1 n SER 97 N -4.87 0.00 -1.24 1.04 3.41 -1.18 -3.45 113.62 107.33 2wh1 n SER 97 Ca -0.07 -0.92 -0.02 0.00 -0.26 0.00 0.00 58.87 57.60 2wh1 n SER 97 Cb 0.21 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.39 2wh1 n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wh1 n LEU 98 N -0.79 4.46 0.00 1.04 4.77 -1.17 -5.01 117.00 120.30 2wh1 n LEU 98 Ca 0.09 -3.46 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 2wh1 n LEU 98 Cb 0.04 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2wh1 n LEU 98 CO 0.07 1.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.59 2wh1 n SER 99 N -0.84 0.41 -2.86 -1.43 3.41 -1.22 -5.10 113.62 105.99 2wh1 n SER 99 Ca 0.32 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 58.35 2wh1 n SER 99 Cb 1.08 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.08 2wh1 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wh1 n LYS 100 N -0.37 1.04 0.00 4.33 5.02 -1.26 -5.18 118.16 121.74 2wh1 n LYS 100 Ca 0.00 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 2wh1 n LYS 100 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2wh1 n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75