#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkx s GLU 4 N 0.00 4.16 0.18 1.97 0.41 -1.26 -5.07 118.70 119.10 3dkx s GLU 4 Ca 0.00 0.34 0.07 0.00 -0.41 0.00 0.00 54.97 54.97 3dkx s GLU 4 Cb 0.00 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 3dkx s GLU 4 CO 0.00 -0.16 0.02 0.15 -0.49 0.00 0.00 175.26 174.78 3dkx s LYS 5 N 1.68 2.48 0.20 1.61 1.02 -1.26 -4.09 119.74 121.38 3dkx s LYS 5 Ca 0.22 -1.09 -0.20 0.00 0.02 0.00 0.00 55.97 54.92 3dkx s LYS 5 Cb -0.15 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3dkx s LYS 5 CO 0.09 0.45 0.59 0.00 -0.92 0.00 0.00 175.35 175.56 3dkx s ALA 6 N -1.77 -1.20 -0.18 5.17 0.00 0.11 -4.81 121.76 119.07 3dkx s ALA 6 Ca 0.28 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 3dkx s ALA 6 Cb -0.09 0.86 -0.18 0.00 0.00 0.00 0.00 23.12 23.71 3dkx s ALA 6 CO 0.19 -0.84 0.25 0.00 0.00 0.00 0.00 175.76 175.37 3dkx h ARG 7 N 2.10 0.00 -5.34 0.00 3.08 -1.87 -0.61 114.38 111.74 3dkx h ARG 7 Ca -0.28 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.15 3dkx h ARG 7 Cb 1.27 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.21 3dkx h ARG 7 CO 0.35 0.84 -0.49 0.71 -1.07 0.00 0.00 179.97 180.30 3dkx s TYR 8 N -2.29 3.44 0.33 3.04 2.02 -1.26 -1.42 117.35 121.20 3dkx s TYR 8 Ca -0.24 0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3dkx s TYR 8 Cb 0.04 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 3dkx s TYR 8 CO 0.54 0.37 0.10 -0.06 -1.57 0.00 0.00 175.55 174.93 3dkx s PHE 9 N 0.11 1.76 -0.06 2.71 0.40 0.04 -0.71 117.98 122.23 3dkx s PHE 9 Ca 0.09 -1.15 -0.28 0.00 -0.60 0.00 0.00 56.93 54.99 3dkx s PHE 9 Cb -0.11 -1.10 0.06 0.00 0.51 0.00 0.00 43.02 42.38 3dkx s PHE 9 CO -0.01 -0.23 0.63 -0.08 0.70 0.00 0.00 175.22 176.23 3dkx s THR 10 N -3.43 0.01 0.27 0.64 -1.32 -0.26 -1.50 115.64 110.05 3dkx s THR 10 Ca 0.33 -0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.54 3dkx s THR 10 Cb 0.06 -0.94 0.02 0.00 -1.51 0.00 0.00 72.50 70.14 3dkx s THR 10 CO 0.15 -0.04 0.71 0.72 -2.21 0.00 0.00 174.62 173.96 3dkx s PHE 11 N -1.11 -0.21 -0.07 9.09 -0.12 -1.05 -0.55 117.98 123.96 3dkx s PHE 11 Ca -0.11 -0.23 -0.07 0.00 -0.05 0.00 0.00 56.93 56.47 3dkx s PHE 11 Cb -0.01 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 43.04 3dkx s PHE 11 CO 0.09 -1.21 0.20 -0.51 -0.05 0.00 0.00 175.22 173.74 3dkx s LEU 12 N -2.91 4.40 -0.03 -1.99 1.43 0.10 -1.35 118.68 118.32 3dkx s LEU 12 Ca 0.10 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3dkx s LEU 12 Cb -0.06 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3dkx s LEU 12 CO 0.06 0.35 -0.25 -0.76 0.23 0.00 0.00 176.35 175.97 3dkx s LEU 13 N -1.29 2.05 -0.24 1.79 1.43 -0.01 -3.44 118.68 118.97 3dkx s LEU 13 Ca 0.20 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3dkx s LEU 13 Cb -0.13 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3dkx s LEU 13 CO 0.09 0.29 0.04 -0.31 0.23 0.00 0.00 176.35 176.70 3dkx s TYR 14 N -0.45 3.06 0.30 0.29 1.51 -1.26 0.32 117.35 121.12 3dkx s TYR 14 Ca 0.05 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3dkx s TYR 14 Cb -0.11 -2.20 0.83 0.00 -0.11 0.00 0.00 41.96 40.36 3dkx s TYR 14 CO 0.01 -0.39 1.67 -1.35 -1.11 0.00 0.00 175.55 174.38 3dkx h PRO 15 N 8.16 0.32 0.00 -1.71 0.11 -1.94 -1.00 132.00 135.94 3dkx h PRO 15 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dkx h PRO 15 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dkx h PRO 15 CO 0.59 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.64 3dkx h GLU 16 N 0.33 0.00 -0.71 1.05 4.11 -1.94 -3.09 114.58 114.34 3dkx h GLU 16 Ca 0.61 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.71 3dkx h GLU 16 Cb 1.25 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.10 3dkx h GLU 16 CO -0.59 0.00 -1.09 -1.13 0.07 0.00 0.00 179.01 176.27 3dkx n SER 17 N -3.00 2.03 -4.01 3.06 3.41 -0.39 -5.05 113.62 109.67 3dkx n SER 17 Ca -0.03 -2.50 -0.15 0.00 -0.26 0.00 0.00 58.87 55.94 3dkx n SER 17 Cb 0.08 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.42 3dkx n SER 17 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3dkx s ILE 18 N -3.76 0.48 0.72 -1.33 -4.36 -1.17 -4.23 121.20 107.55 3dkx s ILE 18 Ca 0.30 -0.63 -0.16 0.00 -0.26 0.00 0.00 60.65 59.90 3dkx s ILE 18 Cb 0.38 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.57 3dkx s ILE 18 CO -0.02 -0.12 0.54 -2.65 0.24 0.00 0.00 174.94 172.94 3dkx n PRO 19 N 2.24 0.30 0.00 0.37 -0.02 -1.26 -4.87 135.00 131.76 3dkx n PRO 19 Ca -0.18 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.57 3dkx n PRO 19 Cb 0.56 -1.84 0.65 0.00 -0.02 0.00 0.00 33.50 32.86 3dkx n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dkx n SER 20 N -0.34 0.00 -1.17 2.55 3.41 -1.26 -2.36 113.62 114.44 3dkx n SER 20 Ca 0.10 -0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.41 3dkx n SER 20 Cb 0.50 -0.22 0.16 0.00 -0.26 0.00 0.00 64.21 64.39 3dkx n SER 20 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dkx n ASP 21 N -1.22 2.89 -0.17 4.04 5.75 -1.26 -4.80 116.55 121.78 3dkx n ASP 21 Ca 0.13 -3.83 -0.01 0.00 -0.01 0.00 0.00 54.79 51.07 3dkx n ASP 21 Cb 0.17 -0.55 0.08 0.00 -1.03 0.00 0.00 41.12 39.79 3dkx n ASP 21 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3dkx h TRP 22 N 1.28 0.21 -0.43 2.11 5.08 -1.82 -1.54 115.95 120.84 3dkx h TRP 22 Ca 0.18 0.03 0.06 0.00 1.08 0.00 0.00 58.89 60.24 3dkx h TRP 22 Cb 1.35 -0.01 -0.09 0.00 -3.00 0.00 0.00 29.16 27.41 3dkx h TRP 22 CO 0.92 0.01 -0.51 1.49 -1.28 0.00 0.00 178.44 179.06 3dkx h GLU 23 N 0.27 -0.35 -0.49 0.12 4.81 -1.87 0.18 114.58 117.25 3dkx h GLU 23 Ca 0.27 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 3dkx h GLU 23 Cb 0.37 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 3dkx h GLU 23 CO -0.34 -0.23 -0.02 1.25 -0.73 0.00 0.00 179.01 178.94 3dkx h LEU 24 N -0.36 -0.24 -0.44 1.64 5.85 -1.83 -2.49 115.31 117.43 3dkx h LEU 24 Ca 0.10 0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3dkx h LEU 24 Cb 0.59 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 3dkx h LEU 24 CO -0.60 -0.08 0.09 0.11 -0.34 0.00 0.00 178.44 177.61 3dkx h LYS 25 N 0.10 0.22 0.00 1.25 1.79 0.18 -0.89 116.57 119.22 3dkx h LYS 25 Ca 0.25 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3dkx h LYS 25 Cb 0.38 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3dkx h LYS 25 CO -0.43 0.14 0.04 1.28 -1.08 0.00 0.00 179.45 179.40 3dkx n LEU 26 N -5.10 0.53 0.05 2.94 4.77 0.36 -0.22 117.00 120.33 3dkx n LEU 26 Ca 0.04 0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 56.68 3dkx n LEU 26 Cb 0.21 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.39 3dkx n LEU 26 CO 0.22 -0.91 0.07 -0.33 -1.33 0.00 0.00 177.39 175.11 3dkx h GLU 27 N 0.00 0.01 0.00 3.23 5.08 -1.11 -3.04 114.58 118.75 3dkx h GLU 27 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dkx h GLU 27 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3dkx h GLU 27 CO 0.00 0.97 0.00 0.25 -1.00 0.00 0.00 179.01 179.23 3dkx n THR 28 N -3.33 1.15 0.10 1.13 -2.24 0.69 -2.19 114.28 109.59 3dkx n THR 28 Ca -0.02 0.71 -0.05 0.00 -2.27 0.00 0.00 64.05 62.42 3dkx n THR 28 Cb 0.95 -1.70 0.04 0.00 -2.10 0.00 0.00 70.33 67.52 3dkx n THR 28 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dkx h LEU 29 N 0.00 0.09 0.37 3.22 3.38 -1.61 -3.48 115.31 117.28 3dkx h LEU 29 Ca 0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3dkx h LEU 29 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dkx h LEU 29 CO 0.00 0.83 -0.08 0.61 0.09 0.00 0.00 178.44 179.90 3dkx n GLY 30 N 0.70 0.37 3.21 0.83 0.00 -0.93 -5.04 105.19 104.32 3dkx n GLY 30 Ca -0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 3dkx n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkx s VAL 31 N -2.15 1.45 0.73 1.61 -7.23 -1.26 -4.99 120.40 108.56 3dkx s VAL 31 Ca 0.00 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3dkx s VAL 31 Cb 0.00 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.70 3dkx s VAL 31 CO 0.00 0.15 1.17 -2.84 -0.31 0.00 0.00 175.10 173.27 3dkx s PRO 32 N -1.11 2.23 -0.15 4.82 0.02 -1.26 -4.59 135.00 134.97 3dkx s PRO 32 Ca 0.05 1.61 -0.27 0.00 0.02 0.00 0.00 61.00 62.42 3dkx s PRO 32 Cb -0.08 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.64 3dkx s PRO 32 CO 0.01 -1.73 0.66 -1.64 -0.33 0.00 0.00 177.00 173.97 3dkx s MET 33 N -4.07 0.91 0.00 5.54 -1.94 -0.72 -2.79 119.30 116.23 3dkx s MET 33 Ca 0.71 0.57 0.06 0.00 -1.71 0.00 0.00 55.69 55.31 3dkx s MET 33 Cb -0.25 0.43 -0.03 0.00 2.01 0.00 0.00 34.83 36.99 3dkx s MET 33 CO 0.46 -0.21 -0.17 0.00 -0.01 0.00 0.00 175.02 175.09 3dkx s ALA 34 N -0.44 2.60 -0.03 3.03 0.00 -0.42 -0.64 121.76 125.86 3dkx s ALA 34 Ca -0.06 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.85 3dkx s ALA 34 Cb -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3dkx s ALA 34 CO 0.05 0.57 -0.18 0.42 0.00 0.00 0.00 175.76 176.61 3dkx s ILE 35 N -0.83 1.49 0.86 0.00 -1.09 -0.34 0.27 121.20 121.57 3dkx s ILE 35 Ca 0.13 -0.77 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 3dkx s ILE 35 Cb -0.11 -1.26 0.11 0.00 -1.58 0.00 0.00 42.46 39.62 3dkx s ILE 35 CO 0.03 0.43 1.09 -0.94 -1.23 0.00 0.00 174.94 174.32 3dkx s SER 36 N -0.17 3.77 0.88 3.58 1.04 0.48 -2.08 113.70 121.21 3dkx s SER 36 Ca 0.01 1.52 -0.11 0.00 0.48 0.00 0.00 55.95 57.85 3dkx s SER 36 Cb -0.10 -2.21 0.13 0.00 0.10 0.00 0.00 66.02 63.94 3dkx s SER 36 CO 0.01 -2.46 1.17 -2.16 0.98 0.00 0.00 173.24 170.79 3dkx s PRO 37 N -4.96 1.18 -0.04 4.02 0.04 -1.25 -4.64 135.00 129.36 3dkx s PRO 37 Ca 0.63 1.64 -0.34 0.00 0.04 0.00 0.00 61.00 62.96 3dkx s PRO 37 Cb -0.17 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3dkx s PRO 37 CO 0.56 -2.53 1.82 -0.11 0.04 0.00 0.00 177.00 176.78 3dkx n LEU 38 N -3.94 3.37 -4.47 -3.56 -0.00 -1.26 -4.72 117.00 102.43 3dkx n LEU 38 Ca 0.13 1.00 -0.43 0.00 -0.00 0.00 0.00 56.01 56.70 3dkx n LEU 38 Cb 0.51 -1.38 -0.04 0.00 -0.00 0.00 0.00 43.42 42.52 3dkx n LEU 38 CO 0.49 -0.10 0.85 -1.00 -0.00 0.00 0.00 177.39 177.62 3dkx s HIS 39 N 3.41 2.69 -0.04 1.96 3.76 0.14 -4.76 115.29 122.45 3dkx s HIS 39 Ca 0.90 -0.62 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 3dkx s HIS 39 Cb -0.69 -4.34 0.08 0.00 1.11 0.00 0.00 32.58 28.74 3dkx s HIS 39 CO 0.49 -1.68 0.95 -0.40 -0.85 0.00 0.00 174.74 173.25 3dkx n ASP 40 N 7.77 0.94 -1.14 1.40 3.85 -1.26 -1.77 116.55 126.34 3dkx n ASP 40 Ca 0.02 -2.13 0.02 0.00 -0.71 0.00 0.00 54.79 51.99 3dkx n ASP 40 Cb 0.46 -0.20 0.01 0.00 -1.35 0.00 0.00 41.12 40.04 3dkx n ASP 40 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dkx n LYS 41 N -0.48 0.00 -2.48 0.11 4.01 -1.26 -4.85 118.16 113.20 3dkx n LYS 41 Ca 0.05 -1.63 -0.43 0.00 -0.51 0.00 0.00 58.31 55.79 3dkx n LYS 41 Cb 0.59 -0.18 -0.02 0.00 -0.51 0.00 0.00 35.03 34.91 3dkx n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3dkx s ASP 42 N -1.63 6.90 0.21 4.39 -0.00 -1.26 -4.82 116.67 120.46 3dkx s ASP 42 Ca 0.22 1.46 -0.32 0.00 -0.00 0.00 0.00 52.55 53.91 3dkx s ASP 42 Cb 0.25 -2.54 -0.12 0.00 -0.00 0.00 0.00 42.92 40.51 3dkx s ASP 42 CO -0.11 -0.83 1.69 -0.54 -0.00 0.00 0.00 175.17 175.38 3dkx s LYS 43 N 3.63 4.13 -0.08 8.23 1.02 -1.26 -0.62 119.74 134.79 3dkx s LYS 43 Ca 0.52 2.58 -0.16 0.00 0.02 0.00 0.00 55.97 58.93 3dkx s LYS 43 Cb -0.18 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3dkx s LYS 43 CO 0.15 -0.72 0.41 0.45 -0.92 0.00 0.00 175.35 174.72 3dkx s SER 44 N 1.10 6.68 0.33 2.83 0.15 0.10 -4.71 113.70 120.19 3dkx s SER 44 Ca 0.73 0.80 0.18 0.00 0.70 0.00 0.00 55.95 58.36 3dkx s SER 44 Cb -0.49 -2.25 0.28 0.00 -1.71 0.00 0.00 66.02 61.85 3dkx s SER 44 CO 0.34 0.15 1.55 0.77 1.20 0.00 0.00 173.24 177.24 3dkx h SER 45 N 5.93 0.00 -2.71 5.45 4.64 -1.89 -3.46 113.55 121.51 3dkx h SER 45 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 3dkx h SER 45 Cb 1.19 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.34 3dkx h SER 45 CO 0.70 0.39 0.98 -0.63 -0.87 0.00 0.00 176.83 177.40 3dkx s ILE 46 N -3.14 2.20 0.34 0.95 1.01 -1.26 -4.91 121.20 116.38 3dkx s ILE 46 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3dkx s ILE 46 Cb 0.08 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 3dkx s ILE 46 CO 0.71 0.01 1.32 -0.75 0.00 0.00 0.00 174.94 176.23 3dkx s LYS 47 N 1.19 4.32 -0.51 2.79 2.20 -1.26 -2.73 119.74 125.75 3dkx s LYS 47 Ca 0.74 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 3dkx s LYS 47 Cb -0.48 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3dkx s LYS 47 CO 0.32 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 3dkx n GLY 48 N 0.77 0.74 3.03 5.54 0.00 -1.26 -5.03 105.19 108.98 3dkx n GLY 48 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 3dkx n GLY 48 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dkx s GLN 49 N -2.43 0.17 -0.04 1.61 -2.07 -1.10 -5.05 119.66 110.75 3dkx s GLN 49 Ca 0.00 0.78 -0.24 0.00 -1.82 0.00 0.00 55.36 54.07 3dkx s GLN 49 Cb 0.00 -0.01 -0.19 0.00 -1.09 0.00 0.00 33.01 31.73 3dkx s GLN 49 CO 0.00 -0.29 1.09 -0.22 -1.32 0.00 0.00 175.29 174.55 3dkx h LYS 50 N 8.27 -0.11 -6.22 9.60 3.64 -1.88 -3.37 116.57 126.49 3dkx h LYS 50 Ca -0.14 0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.65 3dkx h LYS 50 Cb 1.11 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 3dkx h LYS 50 CO 0.13 0.38 -0.77 0.71 -2.27 0.00 0.00 179.45 177.63 3dkx s TYR 51 N -3.84 2.19 0.81 1.91 1.51 -1.26 -0.72 117.35 117.96 3dkx s TYR 51 Ca -0.15 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 3dkx s TYR 51 Cb 0.01 -1.00 0.08 0.00 -0.11 0.00 0.00 41.96 40.93 3dkx s TYR 51 CO 0.59 0.60 1.09 0.15 -1.11 0.00 0.00 175.55 176.87 3dkx s LYS 52 N -3.26 1.99 -0.07 -0.62 1.02 0.21 -4.69 119.74 114.32 3dkx s LYS 52 Ca 0.26 0.79 -0.31 0.00 0.02 0.00 0.00 55.97 56.74 3dkx s LYS 52 Cb -0.05 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 3dkx s LYS 52 CO 0.12 -1.73 2.03 1.17 -0.92 0.00 0.00 175.35 176.03 3dkx n LYS 53 N -3.53 2.43 -1.40 1.68 4.81 -1.26 -4.79 118.16 116.10 3dkx n LYS 53 Ca 0.07 0.84 -0.54 0.00 -0.87 0.00 0.00 58.31 57.81 3dkx n LYS 53 Cb 0.55 -2.98 -0.07 0.00 0.02 0.00 0.00 35.03 32.56 3dkx n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dkx n ALA 54 N 8.56 -3.36 -2.82 3.14 0.00 -1.25 -4.95 120.51 119.83 3dkx n ALA 54 Ca 0.24 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 54.12 3dkx n ALA 54 Cb 0.39 -1.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 3dkx n ALA 54 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3dkx s HIS 55 N -0.17 0.11 0.05 0.00 -3.43 -0.73 -4.26 115.29 106.85 3dkx s HIS 55 Ca 0.81 -0.36 0.01 0.00 -0.80 0.00 0.00 55.06 54.73 3dkx s HIS 55 Cb -1.14 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 29.89 3dkx s HIS 55 CO 0.54 -0.40 0.11 0.71 -2.00 0.00 0.00 174.74 173.69 3dkx s TYR 56 N -2.53 3.28 -0.18 0.38 2.02 0.15 -0.68 117.35 119.80 3dkx s TYR 56 Ca -0.05 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3dkx s TYR 56 Cb -0.01 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3dkx s TYR 56 CO -0.04 0.55 0.06 -1.01 -1.57 0.00 0.00 175.55 173.53 3dkx s HIS 57 N -1.35 3.25 -0.17 2.71 3.76 -1.26 -0.83 115.29 121.39 3dkx s HIS 57 Ca 0.28 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 55.24 3dkx s HIS 57 Cb -0.12 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 3dkx s HIS 57 CO 0.21 0.17 -0.06 0.08 -0.85 0.00 0.00 174.74 174.29 3dkx s VAL 58 N 0.29 3.49 -0.32 -0.90 1.01 -0.46 -0.38 120.40 123.13 3dkx s VAL 58 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3dkx s VAL 58 Cb -0.12 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3dkx s VAL 58 CO 0.00 0.48 0.25 -0.22 0.00 0.00 0.00 175.10 175.61 3dkx s LEU 59 N 0.72 4.33 -0.10 3.92 0.20 0.14 -2.53 118.68 125.36 3dkx s LEU 59 Ca -0.03 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.60 3dkx s LEU 59 Cb -0.15 -2.18 0.00 0.00 -0.43 0.00 0.00 46.19 43.44 3dkx s LEU 59 CO 0.02 -0.19 -0.23 -0.47 -0.29 0.00 0.00 176.35 175.19 3dkx s TYR 60 N 1.79 2.52 -0.44 5.38 6.14 -0.56 -1.30 117.35 130.88 3dkx s TYR 60 Ca 0.08 -1.05 0.04 0.00 0.64 0.00 0.00 57.07 56.78 3dkx s TYR 60 Cb -0.17 -1.69 0.12 0.00 0.42 0.00 0.00 41.96 40.64 3dkx s TYR 60 CO 0.11 -0.43 0.17 0.42 0.64 0.00 0.00 175.55 176.46 3dkx s ILE 61 N 0.38 2.46 0.70 3.14 1.01 -1.12 -0.78 121.20 127.00 3dkx s ILE 61 Ca -0.18 -2.92 -0.16 0.00 0.00 0.00 0.00 60.65 57.39 3dkx s ILE 61 Cb -0.18 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.56 3dkx s ILE 61 CO 0.08 -0.72 1.23 0.00 0.00 0.00 0.00 174.94 175.53 3dkx s ALA 62 N 0.21 2.20 0.20 9.38 0.00 -0.51 -4.25 121.76 128.98 3dkx s ALA 62 Ca 0.14 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 3dkx s ALA 62 Cb -0.23 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.53 3dkx s ALA 62 CO -0.03 -1.77 1.51 0.87 0.00 0.00 0.00 175.76 176.34 3dkx h LYS 63 N -0.03 0.54 -4.02 0.00 1.57 -1.94 -3.45 116.57 109.24 3dkx h LYS 63 Ca -0.49 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 57.84 3dkx h LYS 63 Cb 1.30 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.49 3dkx h LYS 63 CO 0.51 0.94 -0.58 -0.80 -0.57 0.00 0.00 179.45 178.95 3dkx s ASN 64 N -6.91 0.31 -0.32 0.86 -0.87 -1.26 -5.11 114.94 101.64 3dkx s ASN 64 Ca -0.07 -0.76 -0.41 0.00 -1.57 0.00 0.00 52.86 50.04 3dkx s ASN 64 Cb 0.11 0.22 -0.16 0.00 -0.02 0.00 0.00 41.25 41.40 3dkx s ASN 64 CO 0.84 -0.57 1.74 -2.65 -2.57 0.00 0.00 177.10 173.89 3dkx n PRO 65 N 0.40 0.96 -4.32 -0.60 -0.02 -1.26 -4.80 135.00 125.37 3dkx n PRO 65 Ca -0.16 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 3dkx n PRO 65 Cb 0.60 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3dkx n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dkx s VAL 66 N 3.60 0.71 0.65 -1.45 -7.23 -0.24 -4.69 120.40 111.75 3dkx s VAL 66 Ca 1.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3dkx s VAL 66 Cb -1.14 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 33.30 3dkx s VAL 66 CO 0.68 -0.14 1.00 0.42 -0.31 0.00 0.00 175.10 176.76 3dkx s THR 67 N -3.64 3.51 0.26 5.32 -4.23 -1.26 0.07 115.64 115.67 3dkx s THR 67 Ca 0.34 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3dkx s THR 67 Cb 0.07 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.51 3dkx s THR 67 CO 0.11 -0.52 1.67 0.00 -0.54 0.00 0.00 174.62 175.34 3dkx h ALA 68 N -0.43 1.00 -0.69 3.99 0.00 -1.96 -3.19 119.26 117.99 3dkx h ALA 68 Ca -0.45 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 3dkx h ALA 68 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3dkx h ALA 68 CO 0.62 0.60 0.20 -0.44 0.00 0.00 0.00 179.25 180.23 3dkx h ASP 69 N 0.43 1.02 -0.47 0.00 5.19 -1.94 -1.50 116.42 119.15 3dkx h ASP 69 Ca 0.05 -0.22 0.07 0.00 -0.62 0.00 0.00 57.03 56.32 3dkx h ASP 69 Cb 0.77 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 3dkx h ASP 69 CO 0.06 0.97 0.12 0.77 -3.12 0.00 0.00 179.24 178.03 3dkx h SER 70 N 1.02 0.06 0.61 6.45 4.64 -1.95 -0.56 113.55 123.81 3dkx h SER 70 Ca 0.22 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 3dkx h SER 70 Cb 0.33 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3dkx h SER 70 CO -0.00 0.06 -0.36 0.58 -0.87 0.00 0.00 176.83 176.24 3dkx h VAL 71 N 0.26 1.01 0.42 0.95 2.07 -1.53 -0.49 116.25 118.94 3dkx h VAL 71 Ca 0.23 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3dkx h VAL 71 Cb 0.28 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3dkx h VAL 71 CO -0.28 0.36 -0.20 -0.09 0.02 0.00 0.00 177.57 177.37 3dkx h ARG 72 N 0.00 -0.55 -0.44 1.57 2.43 -0.10 -2.86 114.38 114.44 3dkx h ARG 72 Ca -0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3dkx h ARG 72 Cb 0.77 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 3dkx h ARG 72 CO 0.05 -0.32 0.16 0.87 -1.51 0.00 0.00 179.97 179.22 3dkx h LYS 73 N -0.64 0.67 -1.01 0.20 1.57 -1.08 -0.71 116.57 115.58 3dkx h LYS 73 Ca -0.06 -0.13 0.22 0.00 -1.87 0.00 0.00 60.65 58.81 3dkx h LYS 73 Cb 0.47 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.57 3dkx h LYS 73 CO 0.10 0.63 0.61 -0.22 -0.57 0.00 0.00 179.45 180.00 3dkx h LYS 74 N 0.58 0.62 -0.01 3.15 1.63 -1.07 0.11 116.57 121.58 3dkx h LYS 74 Ca 0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3dkx h LYS 74 Cb 0.22 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3dkx h LYS 74 CO -0.01 0.41 -0.60 0.44 -3.45 0.00 0.00 179.45 176.24 3dkx n ILE 75 N -4.79 0.00 -0.01 2.00 -5.35 -1.03 -2.56 119.36 107.61 3dkx n ILE 75 Ca 0.25 -0.20 -0.16 0.00 -0.27 0.00 0.00 62.75 62.36 3dkx n ILE 75 Cb 0.68 1.13 -0.10 0.00 -1.74 0.00 0.00 39.64 39.61 3dkx n ILE 75 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3dkx h LYS 76 N 1.22 0.38 0.00 6.28 1.57 -0.16 -0.45 116.57 125.40 3dkx h LYS 76 Ca 0.00 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 3dkx h LYS 76 Cb 0.56 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3dkx h LYS 76 CO 0.00 1.03 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.69 3dkx h LEU 77 N -0.14 0.00 0.00 2.94 3.38 -0.94 1.12 115.31 121.67 3dkx h LEU 77 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dkx h LEU 77 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dkx h LEU 77 CO 0.10 0.15 -0.00 0.25 0.09 0.00 0.00 178.44 179.02 3dkx h LEU 78 N 0.00 -0.00 -1.67 1.67 7.12 -1.52 -3.41 115.31 117.49 3dkx h LEU 78 Ca -0.00 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.50 3dkx h LEU 78 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 3dkx h LEU 78 CO 0.02 0.75 0.00 0.18 -0.13 0.00 0.00 178.44 179.26 3dkx n LEU 79 N -4.70 2.14 0.00 2.25 4.77 -0.18 -5.04 117.00 116.24 3dkx n LEU 79 Ca -0.05 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3dkx n LEU 79 Cb 0.25 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3dkx n LEU 79 CO 0.18 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3dkx n GLY 80 N 0.66 2.26 0.32 -0.72 0.00 0.38 -4.57 105.19 103.52 3dkx n GLY 80 Ca 0.08 -1.67 0.16 0.00 0.00 0.00 0.00 46.02 44.59 3dkx n GLY 80 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dkx h GLU 81 N 0.00 0.00 -0.47 1.61 5.08 -1.91 -2.64 114.58 116.24 3dkx h GLU 81 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 3dkx h GLU 81 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 3dkx h GLU 81 CO 0.00 0.00 -0.26 1.63 -1.00 0.00 0.00 179.01 179.38 3dkx n LYS 82 N -2.85 2.38 -0.16 2.33 5.02 -1.26 -4.57 118.16 119.05 3dkx n LYS 82 Ca -0.02 -3.50 0.07 0.00 -2.02 0.00 0.00 58.31 52.84 3dkx n LYS 82 Cb 0.29 -1.96 0.15 0.00 -0.02 0.00 0.00 35.03 33.49 3dkx n LYS 82 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3dkx n SER 83 N -0.99 2.84 -3.83 4.39 3.41 -1.00 -4.82 113.62 113.63 3dkx n SER 83 Ca 0.37 -1.89 -0.29 0.00 -0.26 0.00 0.00 58.87 56.80 3dkx n SER 83 Cb 0.93 -0.20 -0.16 0.00 -0.26 0.00 0.00 64.21 64.52 3dkx n SER 83 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dkx s LEU 84 N -1.02 2.24 0.06 1.04 1.43 -1.26 -4.15 118.68 117.02 3dkx s LEU 84 Ca 0.24 -1.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 3dkx s LEU 84 Cb 0.13 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 3dkx s LEU 84 CO 0.18 -0.32 -0.23 0.00 0.23 0.00 0.00 176.35 176.21 3dkx s ALA 85 N 1.56 1.96 -0.80 4.21 0.00 -1.22 -4.91 121.76 122.55 3dkx s ALA 85 Ca 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3dkx s ALA 85 Cb -0.18 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3dkx s ALA 85 CO -0.13 0.44 0.70 -1.33 0.00 0.00 0.00 175.76 175.44 3dkx n MET 86 N 1.62 -4.70 -1.92 0.00 2.81 -1.26 0.02 117.12 113.70 3dkx n MET 86 Ca -0.18 0.49 -0.32 0.00 -1.81 0.00 0.00 57.70 55.89 3dkx n MET 86 Cb 0.53 -4.52 -0.04 0.00 -0.71 0.00 0.00 33.22 28.48 3dkx n MET 86 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3dkx s VAL 87 N -3.19 3.29 0.21 2.03 1.01 -1.25 -4.20 120.40 118.30 3dkx s VAL 87 Ca 0.32 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.36 3dkx s VAL 87 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3dkx s VAL 87 CO 0.43 -0.69 -0.05 -1.10 0.00 0.00 0.00 175.10 173.69 3dkx s GLN 88 N 7.42 2.18 0.41 2.72 -0.21 0.29 -4.94 119.66 127.53 3dkx s GLN 88 Ca 0.75 -1.31 -0.19 0.00 0.02 0.00 0.00 55.36 54.64 3dkx s GLN 88 Cb -0.11 -2.18 -0.10 0.00 1.00 0.00 0.00 33.01 31.62 3dkx s GLN 88 CO 0.13 0.41 0.90 0.54 -2.12 0.00 0.00 175.29 175.15 3dkx s VAL 89 N -1.95 4.49 -0.13 1.09 0.11 -1.26 -1.10 120.40 121.64 3dkx s VAL 89 Ca 0.28 1.31 0.01 0.00 -2.93 0.00 0.00 61.98 60.64 3dkx s VAL 89 Cb -0.08 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 3dkx s VAL 89 CO 0.17 -0.33 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.75 3dkx s VAL 90 N -2.19 2.65 -0.13 2.04 1.01 0.11 -4.86 120.40 119.03 3dkx s VAL 90 Ca 0.60 -0.79 0.18 0.00 0.00 0.00 0.00 61.98 61.96 3dkx s VAL 90 Cb -0.09 -2.10 -0.23 0.00 0.00 0.00 0.00 36.38 33.96 3dkx s VAL 90 CO 0.17 0.53 0.42 0.18 0.00 0.00 0.00 175.10 176.39 3dkx n LEU 91 N 3.76 0.32 -3.66 3.92 4.77 -1.26 -4.55 117.00 120.31 3dkx n LEU 91 Ca -0.19 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 3dkx n LEU 91 Cb 0.52 0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.72 3dkx n LEU 91 CO 0.29 0.29 -0.31 0.21 -1.33 0.00 0.00 177.39 176.54 3dkx s ASN 92 N -5.43 3.70 0.25 -1.43 2.47 -1.26 -5.01 114.94 108.24 3dkx s ASN 92 Ca -0.07 -1.90 -0.04 0.00 0.42 0.00 0.00 52.86 51.27 3dkx s ASN 92 Cb 0.09 -0.75 0.49 0.00 -1.45 0.00 0.00 41.25 39.63 3dkx s ASN 92 CO 0.84 -0.37 1.69 0.58 -3.72 0.00 0.00 177.10 176.12 3dkx h VAL 93 N 5.97 0.52 -0.66 -5.21 2.07 -1.91 0.33 116.25 117.36 3dkx h VAL 93 Ca -0.09 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3dkx h VAL 93 Cb 0.99 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3dkx h VAL 93 CO 0.44 0.05 0.40 -0.08 0.02 0.00 0.00 177.57 178.40 3dkx h GLU 94 N 0.30 0.88 -0.21 1.57 4.81 -1.93 0.80 114.58 120.80 3dkx h GLU 94 Ca 0.43 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3dkx h GLU 94 Cb 0.74 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3dkx h GLU 94 CO -0.51 0.62 0.04 -0.97 -0.73 0.00 0.00 179.01 177.47 3dkx h ASN 95 N 0.89 0.02 -0.44 1.04 -1.24 -0.81 -0.82 115.58 114.22 3dkx h ASN 95 Ca 0.24 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.22 3dkx h ASN 95 Cb -0.04 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3dkx h ASN 95 CO -0.05 0.04 0.07 -0.03 -1.29 0.00 0.00 177.43 176.18 3dkx h MET 96 N 0.13 0.80 -0.73 6.67 4.05 -0.91 -0.78 114.93 124.17 3dkx h MET 96 Ca 0.09 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 3dkx h MET 96 Cb 0.09 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 3dkx h MET 96 CO -0.12 0.76 0.22 -0.92 0.23 0.00 0.00 176.91 177.07 3dkx h TYR 97 N 0.77 1.18 0.00 1.39 3.20 -0.34 -0.34 116.97 122.82 3dkx h TYR 97 Ca 0.16 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3dkx h TYR 97 Cb 0.36 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 3dkx h TYR 97 CO 0.02 0.94 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.36 3dkx h LEU 98 N 1.08 0.00 -0.48 2.82 3.38 -0.73 -2.81 115.31 118.57 3dkx h LEU 98 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3dkx h LEU 98 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dkx h LEU 98 CO -0.01 0.05 0.00 0.22 0.09 0.00 0.00 178.44 178.79 3dkx h TYR 99 N 0.00 0.00 0.00 1.13 5.03 0.42 0.26 116.97 123.81 3dkx h TYR 99 Ca -0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 3dkx h TYR 99 Cb 0.62 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 3dkx h TYR 99 CO 0.00 0.00 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.75 3dkx h LEU 100 N 0.00 0.00 -2.73 2.82 3.38 -1.19 -0.07 115.31 117.52 3dkx h LEU 100 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkx h LEU 100 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3dkx h LEU 100 CO 0.00 0.02 -0.04 0.35 0.09 0.00 0.00 178.44 178.86 3dkx n THR 101 N -3.43 1.16 -3.53 0.22 -2.24 -1.18 -4.28 114.28 101.00 3dkx n THR 101 Ca -0.03 -1.30 -0.20 0.00 -2.27 0.00 0.00 64.05 60.25 3dkx n THR 101 Cb 0.12 0.27 0.08 0.00 -2.10 0.00 0.00 70.33 68.70 3dkx n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dkx n HIS 102 N -0.76 -2.46 -0.09 4.78 8.25 -0.04 -2.44 115.22 122.46 3dkx n HIS 102 Ca 0.06 0.97 0.01 0.00 -0.26 0.00 0.00 57.72 58.49 3dkx n HIS 102 Cb 0.46 -5.00 0.01 0.00 1.12 0.00 0.00 29.99 26.58 3dkx n HIS 102 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dkx n GLU 103 N -4.51 2.82 -1.70 -0.41 1.02 0.89 -4.35 120.64 114.40 3dkx n GLU 103 Ca -0.16 -1.54 -0.32 0.00 -0.02 0.00 0.00 57.16 55.12 3dkx n GLU 103 Cb 0.62 -1.02 0.05 0.00 -0.02 0.00 0.00 31.44 31.07 3dkx n GLU 103 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3dkx s SER 104 N -1.08 5.24 0.17 1.62 1.04 -1.12 -4.88 113.70 114.69 3dkx s SER 104 Ca 0.02 1.83 -0.16 0.00 0.48 0.00 0.00 55.95 58.12 3dkx s SER 104 Cb 0.02 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.72 3dkx s SER 104 CO 0.00 -1.54 1.69 0.11 0.98 0.00 0.00 173.24 174.48 3dkx h LYS 105 N -0.25 0.07 -0.70 4.02 1.57 -1.95 -0.62 116.57 118.72 3dkx h LYS 105 Ca -0.45 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 3dkx h LYS 105 Cb 1.23 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 3dkx h LYS 105 CO 0.55 0.05 0.43 0.38 -0.57 0.00 0.00 179.45 180.28 3dkx h ASP 106 N 0.07 0.69 -0.09 0.86 2.03 -1.98 0.57 116.42 118.57 3dkx h ASP 106 Ca 0.20 0.01 -0.19 0.00 -0.73 0.00 0.00 57.03 56.32 3dkx h ASP 106 Cb 0.29 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 3dkx h ASP 106 CO -0.36 0.47 -0.63 0.00 -1.03 0.00 0.00 179.24 177.68 3dkx h ALA 107 N 1.32 0.51 -0.52 4.15 0.00 -1.79 0.76 119.26 123.68 3dkx h ALA 107 Ca 0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dkx h ALA 107 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3dkx h ALA 107 CO -0.13 0.70 0.32 0.82 0.00 0.00 0.00 179.25 180.96 3dkx h ILE 108 N 0.52 1.15 0.02 0.00 2.04 -0.77 -0.56 117.51 119.90 3dkx h ILE 108 Ca -0.01 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.56 3dkx h ILE 108 Cb 1.23 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3dkx h ILE 108 CO 0.13 0.15 -0.44 0.00 0.00 0.00 0.00 178.15 177.99 3dkx h ALA 109 N 1.16 -0.72 0.00 1.87 0.00 0.60 0.25 119.26 122.41 3dkx h ALA 109 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dkx h ALA 109 Cb -0.03 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3dkx h ALA 109 CO -0.04 -0.99 0.00 1.63 0.00 0.00 0.00 179.25 179.86 3dkx n LYS 110 N -5.46 0.62 -4.26 0.00 5.02 0.22 -4.86 118.16 109.44 3dkx n LYS 110 Ca -0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3dkx n LYS 110 Cb 0.38 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 3dkx n LYS 110 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3dkx n LYS 111 N -0.23 -0.89 -1.76 1.97 2.85 0.86 -4.96 118.16 116.01 3dkx n LYS 111 Ca 0.00 0.08 -0.29 0.00 -1.05 0.00 0.00 58.31 57.05 3dkx n LYS 111 Cb 0.06 -3.41 0.15 0.00 -0.65 0.00 0.00 35.03 31.18 3dkx n LYS 111 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3dkx s LYS 112 N -7.29 1.01 0.01 -1.58 1.02 -0.29 -5.01 119.74 107.62 3dkx s LYS 112 Ca 0.03 -0.05 -0.27 0.00 0.02 0.00 0.00 55.97 55.70 3dkx s LYS 112 Cb -0.02 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 3dkx s LYS 112 CO 0.97 -2.22 0.83 -1.58 -0.92 0.00 0.00 175.35 172.44 3dkx s HIS 113 N -3.57 3.68 -0.07 3.18 5.65 -1.26 -4.88 115.29 118.02 3dkx s HIS 113 Ca 0.68 1.52 -0.26 0.00 0.25 0.00 0.00 55.06 57.25 3dkx s HIS 113 Cb -0.09 -2.93 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 3dkx s HIS 113 CO 0.52 0.14 0.81 0.08 -0.65 0.00 0.00 174.74 175.64 3dkx s VAL 114 N 0.46 4.96 0.49 0.89 1.01 -1.26 -4.58 120.40 122.36 3dkx s VAL 114 Ca 0.43 1.66 0.08 0.00 0.00 0.00 0.00 61.98 64.16 3dkx s VAL 114 Cb -0.20 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3dkx s VAL 114 CO 0.24 0.18 0.58 -0.31 0.00 0.00 0.00 175.10 175.79 3dkx s TYR 115 N 1.12 2.17 -0.29 5.22 1.51 -1.02 -5.05 117.35 121.02 3dkx s TYR 115 Ca 0.42 -0.59 -0.26 0.00 -1.01 0.00 0.00 57.07 55.64 3dkx s TYR 115 Cb -0.18 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 3dkx s TYR 115 CO 0.20 -0.60 0.90 0.34 -1.11 0.00 0.00 175.55 175.28 3dkx s ASP 116 N -4.39 6.82 0.65 2.29 3.68 -1.26 -4.90 116.67 119.55 3dkx s ASP 116 Ca 0.53 0.92 0.41 0.00 2.13 0.00 0.00 52.55 56.53 3dkx s ASP 116 Cb -0.06 -2.46 2.27 0.00 -1.45 0.00 0.00 42.92 41.21 3dkx s ASP 116 CO 0.32 -0.67 2.32 0.50 0.13 0.00 0.00 175.17 177.77 3dkx h LYS 117 N 7.95 0.00 0.00 4.34 3.64 -1.97 -0.74 116.57 129.79 3dkx h LYS 117 Ca -0.22 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3dkx h LYS 117 Cb 1.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3dkx h LYS 117 CO 0.93 0.00 -0.16 0.00 -2.27 0.00 0.00 179.45 177.95 3dkx h ALA 118 N 1.95 0.93 -0.05 5.00 0.00 -2.03 -3.09 119.26 121.98 3dkx h ALA 118 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dkx h ALA 118 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dkx h ALA 118 CO -0.00 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 3dkx n ASP 119 N -3.19 0.68 -4.76 0.00 8.00 -0.28 -4.85 116.55 112.14 3dkx n ASP 119 Ca 0.02 -1.42 -0.36 0.00 0.71 0.00 0.00 54.79 53.74 3dkx n ASP 119 Cb 0.51 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 3dkx n ASP 119 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dkx s ILE 120 N -1.94 2.85 -0.10 0.53 1.01 -1.17 -3.84 121.20 118.53 3dkx s ILE 120 Ca 0.35 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.62 3dkx s ILE 120 Cb 0.17 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3dkx s ILE 120 CO 0.28 -0.06 -0.24 -0.54 0.00 0.00 0.00 174.94 174.38 3dkx s LYS 121 N -3.03 3.03 -0.30 2.79 3.01 -0.88 -4.96 119.74 119.39 3dkx s LYS 121 Ca 0.71 -0.87 -0.10 0.00 -1.01 0.00 0.00 55.97 54.69 3dkx s LYS 121 Cb -0.30 -2.30 -0.02 0.00 -1.01 0.00 0.00 37.83 34.21 3dkx s LYS 121 CO 0.34 0.16 0.17 -0.51 0.51 0.00 0.00 175.35 176.02 3dkx s LEU 122 N 0.38 4.09 -0.18 3.17 2.01 -1.26 -1.20 118.68 125.69 3dkx s LEU 122 Ca -0.18 -0.34 -0.09 0.00 0.01 0.00 0.00 54.13 53.53 3dkx s LEU 122 Cb -0.18 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 43.93 3dkx s LEU 122 CO 0.08 -0.15 0.12 -0.63 1.01 0.00 0.00 176.35 176.79 3dkx s ILE 123 N 1.67 5.35 -1.06 -0.59 1.09 0.19 -4.54 121.20 123.32 3dkx s ILE 123 Ca 0.06 0.16 -0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3dkx s ILE 123 Cb -0.17 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 3dkx s ILE 123 CO 0.08 0.49 0.88 0.59 -0.10 0.00 0.00 174.94 176.88 3dkx n ASN 124 N 3.10 -2.11 -4.02 3.58 4.13 -1.26 -1.75 115.26 116.93 3dkx n ASN 124 Ca -0.17 -0.54 -0.34 0.00 1.68 0.00 0.00 54.58 55.20 3dkx n ASN 124 Cb 0.53 -4.57 -0.01 0.00 -1.54 0.00 0.00 39.78 34.18 3dkx n ASN 124 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3dkx n ASN 125 N -2.87 -2.21 -4.72 6.41 3.02 -1.26 -4.49 115.26 109.14 3dkx n ASN 125 Ca -0.25 -1.16 -0.41 0.00 -0.03 0.00 0.00 54.58 52.73 3dkx n ASN 125 Cb 0.65 -2.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.40 3dkx n ASN 125 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dkx s PHE 126 N -3.83 3.71 -0.08 3.10 2.19 -1.21 -4.99 117.98 116.87 3dkx s PHE 126 Ca 0.25 1.66 -0.00 0.00 0.33 0.00 0.00 56.93 59.17 3dkx s PHE 126 Cb -0.12 -3.03 0.02 0.00 -1.31 0.00 0.00 43.02 38.58 3dkx s PHE 126 CO 0.93 0.10 -0.05 0.34 1.83 0.00 0.00 175.22 178.37 3dkx s ASP 127 N 0.55 1.70 0.42 6.13 -1.08 -1.26 -4.86 116.67 118.27 3dkx s ASP 127 Ca 0.47 -0.20 0.14 0.00 -0.52 0.00 0.00 52.55 52.44 3dkx s ASP 127 Cb -0.21 -0.65 0.89 0.00 -1.46 0.00 0.00 42.92 41.50 3dkx s ASP 127 CO 0.27 -0.11 1.92 -0.29 0.52 0.00 0.00 175.17 177.49 3dkx h ILE 128 N 6.18 1.17 0.00 4.11 -0.00 -2.00 -2.14 117.51 124.82 3dkx h ILE 128 Ca -0.29 -0.91 -0.01 0.00 -0.00 0.00 0.00 64.86 63.65 3dkx h ILE 128 Cb 1.14 1.49 -0.00 0.00 -0.00 0.00 0.00 36.82 39.45 3dkx h ILE 128 CO 0.39 0.26 -0.06 0.44 -0.00 0.00 0.00 178.15 179.18 3dkx h ASP 129 N 0.00 0.00 1.14 2.19 3.32 -1.96 -0.51 116.42 120.60 3dkx h ASP 129 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dkx h ASP 129 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3dkx h ASP 129 CO 0.03 0.06 0.00 0.54 -1.72 0.00 0.00 179.24 178.15 3dkx n ARG 130 N -3.24 0.14 0.00 3.56 1.74 -0.81 -3.35 116.66 114.70 3dkx n ARG 130 Ca -0.01 0.17 0.09 0.00 -0.77 0.00 0.00 57.85 57.33 3dkx n ARG 130 Cb 0.27 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3dkx n ARG 130 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3dkx n TYR 131 N -1.93 0.00 -5.12 -1.55 4.01 -0.21 -4.96 117.16 107.40 3dkx n TYR 131 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 3dkx n TYR 131 Cb 0.35 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.23 3dkx n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3dkx s VAL 132 N -1.85 1.93 -0.05 -0.72 1.01 -1.13 -4.78 120.40 114.80 3dkx s VAL 132 Ca 0.16 -1.11 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 3dkx s VAL 132 Cb 0.14 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.97 3dkx s VAL 132 CO 0.38 0.49 0.62 0.28 0.00 0.00 0.00 175.10 176.86 3dkx s THR 133 N -0.63 0.01 0.35 3.92 -1.32 -1.26 -4.88 115.64 111.83 3dkx s THR 133 Ca 0.10 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.25 3dkx s THR 133 Cb -0.09 -0.93 -0.10 0.00 -1.51 0.00 0.00 72.50 69.86 3dkx s THR 133 CO -0.00 -0.04 0.94 -0.76 -2.21 0.00 0.00 174.62 172.55 3dkx s LEU 134 N -1.13 4.25 0.80 9.08 1.43 -1.26 -5.07 118.68 126.78 3dkx s LEU 134 Ca -0.11 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 3dkx s LEU 134 Cb -0.01 -4.13 0.07 0.00 0.03 0.00 0.00 46.19 42.16 3dkx s LEU 134 CO 0.09 -0.13 1.15 -1.81 0.23 0.00 0.00 176.35 175.88 3dkx s ASP 135 N -1.74 4.54 0.21 2.29 1.01 -1.26 -4.88 116.67 116.84 3dkx s ASP 135 Ca 0.53 0.92 -0.11 0.00 0.71 0.00 0.00 52.55 54.60 3dkx s ASP 135 Cb -0.16 -1.51 0.29 0.00 1.01 0.00 0.00 42.92 42.54 3dkx s ASP 135 CO 0.21 -1.90 1.68 0.58 0.21 0.00 0.00 175.17 175.95 3dkx h VAL 136 N -1.05 0.54 -0.44 -1.27 2.07 -1.99 -0.98 116.25 113.13 3dkx h VAL 136 Ca -0.47 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 3dkx h VAL 136 Cb 1.31 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3dkx h VAL 136 CO 0.64 0.03 -0.01 -0.33 0.02 0.00 0.00 177.57 177.92 3dkx h GLU 137 N 0.16 0.79 -0.55 1.57 3.07 -1.99 -0.32 114.58 117.31 3dkx h GLU 137 Ca 0.32 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3dkx h GLU 137 Cb 0.50 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 3dkx h GLU 137 CO -0.48 0.86 0.33 0.93 -1.40 0.00 0.00 179.01 179.25 3dkx h GLU 138 N 0.63 0.74 -0.33 2.33 5.08 -1.85 0.98 114.58 122.16 3dkx h GLU 138 Ca 0.12 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dkx h GLU 138 Cb 0.51 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3dkx h GLU 138 CO 0.03 0.53 0.13 -0.22 -1.00 0.00 0.00 179.01 178.48 3dkx h LYS 139 N 0.73 0.28 -0.28 2.33 3.64 -0.83 0.24 116.57 122.69 3dkx h LYS 139 Ca 0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3dkx h LYS 139 Cb -0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3dkx h LYS 139 CO -0.04 0.19 0.18 1.15 -2.27 0.00 0.00 179.45 178.65 3dkx h THR 140 N 0.29 1.09 -0.19 1.00 2.02 -0.77 0.48 112.91 116.82 3dkx h THR 140 Ca 0.15 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.17 3dkx h THR 140 Cb 0.09 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 3dkx h THR 140 CO -0.13 0.09 -0.38 -0.33 0.37 0.00 0.00 175.52 175.14 3dkx h GLU 141 N 0.37 -0.41 -0.19 6.66 5.08 -0.30 -1.26 114.58 124.53 3dkx h GLU 141 Ca 0.10 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3dkx h GLU 141 Cb -0.01 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3dkx h GLU 141 CO -0.02 -0.27 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.32 3dkx h LEU 142 N -0.42 0.40 -0.60 1.33 3.38 -0.36 -1.62 115.31 117.41 3dkx h LEU 142 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dkx h LEU 142 Cb 0.59 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3dkx h LEU 142 CO -0.42 0.71 0.39 0.15 0.09 0.00 0.00 178.44 179.36 3dkx h PHE 143 N 0.33 0.77 -0.67 1.13 3.57 -0.45 0.59 116.94 122.22 3dkx h PHE 143 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3dkx h PHE 143 Cb 0.75 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3dkx h PHE 143 CO 0.02 0.50 0.29 -0.91 -2.23 0.00 0.00 178.31 175.98 3dkx h ASN 144 N 0.82 0.87 -0.41 0.41 -0.26 -0.42 -0.70 115.58 115.90 3dkx h ASN 144 Ca 0.22 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3dkx h ASN 144 Cb -0.07 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.95 3dkx h ASN 144 CO -0.05 0.76 0.26 0.58 -1.06 0.00 0.00 177.43 177.93 3dkx h VAL 145 N 0.95 1.12 -0.76 2.81 2.07 -0.75 -1.17 116.25 120.52 3dkx h VAL 145 Ca 0.23 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dkx h VAL 145 Cb 0.14 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3dkx h VAL 145 CO -0.02 0.12 0.49 0.58 0.02 0.00 0.00 177.57 178.75 3dkx h VAL 146 N 0.54 1.20 0.09 2.57 2.07 -0.22 -0.35 116.25 122.15 3dkx h VAL 146 Ca 0.15 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3dkx h VAL 146 Cb -0.03 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3dkx h VAL 146 CO -0.03 0.19 -0.04 0.58 0.02 0.00 0.00 177.57 178.29 3dkx h VAL 147 N 1.03 0.96 -0.93 2.57 2.07 -0.63 -1.52 116.25 119.80 3dkx h VAL 147 Ca 0.28 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3dkx h VAL 147 Cb -0.10 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3dkx h VAL 147 CO -0.06 0.04 0.60 0.77 0.02 0.00 0.00 177.57 178.94 3dkx h SER 148 N -0.19 1.08 -0.51 0.57 4.64 -0.36 -0.76 113.55 118.01 3dkx h SER 148 Ca -0.01 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3dkx h SER 148 Cb 0.16 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 3dkx h SER 148 CO 0.02 0.79 0.16 -0.07 -0.87 0.00 0.00 176.83 176.86 3dkx h LEU 149 N 1.26 0.13 -0.51 5.97 3.38 -0.97 0.41 115.31 124.98 3dkx h LEU 149 Ca 0.34 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3dkx h LEU 149 Cb -0.12 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3dkx h LEU 149 CO -0.07 0.10 0.22 0.40 0.09 0.00 0.00 178.44 179.18 3dkx h ILE 150 N 0.33 1.21 0.06 1.22 2.04 -0.11 -1.35 117.51 120.90 3dkx h ILE 150 Ca 0.25 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3dkx h ILE 150 Cb 0.30 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3dkx h ILE 150 CO -0.28 0.24 -0.03 0.03 0.00 0.00 0.00 178.15 178.11 3dkx h ARG 151 N 0.68 -0.08 -0.99 2.37 3.08 -0.82 0.65 114.38 119.27 3dkx h ARG 151 Ca 0.17 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.42 3dkx h ARG 151 Cb 0.16 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.12 3dkx h ARG 151 CO -0.02 0.31 0.59 0.00 -1.07 0.00 0.00 179.97 179.79 3dkx h ALA 152 N 0.43 1.64 -0.35 0.04 0.00 -0.06 -2.72 119.26 118.23 3dkx h ALA 152 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dkx h ALA 152 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dkx h ALA 152 CO 0.01 -0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3dkx n TYR 153 N -4.78 0.51 -3.98 0.00 4.01 -0.52 -4.99 117.16 107.40 3dkx n TYR 153 Ca 0.23 -0.53 -0.40 0.00 -0.16 0.00 0.00 57.90 57.04 3dkx n TYR 153 Cb 0.57 -0.05 0.02 0.00 -0.31 0.00 0.00 39.34 39.56 3dkx n TYR 153 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3dkx n THR 154 N 0.46 -3.51 -2.54 -0.72 -1.04 0.16 -4.84 114.28 102.24 3dkx n THR 154 Ca 0.12 -0.69 -0.43 0.00 -2.04 0.00 0.00 64.05 61.01 3dkx n THR 154 Cb 0.46 -2.80 -0.02 0.00 -1.82 0.00 0.00 70.33 66.15 3dkx n THR 154 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dkx s LEU 155 N -7.15 3.69 0.29 -4.42 1.43 -0.82 -4.92 118.68 106.78 3dkx s LEU 155 Ca 0.42 0.69 0.25 0.00 -1.03 0.00 0.00 54.13 54.47 3dkx s LEU 155 Cb -0.21 -3.55 0.73 0.00 0.03 0.00 0.00 46.19 43.20 3dkx s LEU 155 CO 0.94 -1.21 1.74 1.56 0.23 0.00 0.00 176.35 179.60 3dkx h GLN 156 N 9.33 0.00 -2.24 1.70 4.20 -1.88 -3.43 115.11 122.79 3dkx h GLN 156 Ca -0.24 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.68 3dkx h GLN 156 Cb 1.07 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.78 3dkx h GLN 156 CO 1.10 0.00 0.58 0.54 -0.67 0.00 0.00 178.83 180.38 3dkx s ASN 157 N -5.00 -0.10 0.49 1.46 2.20 -1.26 -4.63 114.94 108.10 3dkx s ASN 157 Ca 0.09 -0.44 0.27 0.00 -0.94 0.00 0.00 52.86 51.84 3dkx s ASN 157 Cb 0.10 0.43 1.18 0.00 -2.00 0.00 0.00 41.25 40.96 3dkx s ASN 157 CO 0.59 -0.82 1.94 -0.29 -2.94 0.00 0.00 177.10 175.58 3dkx h ILE 158 N 2.00 0.49 -0.25 0.54 2.10 -1.99 -1.52 117.51 118.87 3dkx h ILE 158 Ca -0.26 -0.84 -0.06 0.00 1.08 0.00 0.00 64.86 64.78 3dkx h ILE 158 Cb 1.22 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 38.53 3dkx h ILE 158 CO 0.29 0.16 -0.07 -0.26 -1.08 0.00 0.00 178.15 177.19 3dkx h PHE 159 N 0.00 0.56 -0.92 2.19 0.05 -1.98 0.70 116.94 117.53 3dkx h PHE 159 Ca -0.00 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 61.65 3dkx h PHE 159 Cb 0.57 -0.14 -0.04 0.00 2.00 0.00 0.00 35.95 38.34 3dkx h PHE 159 CO 0.00 0.72 0.52 -0.44 -0.18 0.00 0.00 178.31 178.93 3dkx h ASP 160 N 0.24 1.14 -0.43 2.17 5.19 -1.72 0.12 116.42 123.13 3dkx h ASP 160 Ca 0.06 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3dkx h ASP 160 Cb 0.54 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3dkx h ASP 160 CO 0.03 0.90 0.13 0.25 -3.12 0.00 0.00 179.24 177.43 3dkx h LEU 161 N 1.28 0.62 0.01 1.55 5.85 -1.24 -1.18 115.31 122.21 3dkx h LEU 161 Ca 0.33 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3dkx h LEU 161 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3dkx h LEU 161 CO -0.06 0.66 -0.04 1.88 -0.34 0.00 0.00 178.44 180.55 3dkx h TYR 162 N 0.55 -0.10 -0.41 1.25 0.05 -0.26 -0.97 116.97 117.08 3dkx h TYR 162 Ca 0.14 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.98 3dkx h TYR 162 Cb 0.26 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.99 3dkx h TYR 162 CO 0.01 -0.06 0.10 -0.44 -1.05 0.00 0.00 178.16 176.72 3dkx h ASP 163 N -0.08 0.06 -0.74 3.88 3.45 -0.67 -0.29 116.42 122.03 3dkx h ASP 163 Ca 0.01 0.06 0.08 0.00 0.43 0.00 0.00 57.03 57.62 3dkx h ASP 163 Cb 0.09 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.89 3dkx h ASP 163 CO -0.04 0.07 0.48 0.15 -1.57 0.00 0.00 179.24 178.33 3dkx h PHE 164 N 0.24 0.74 -0.33 4.55 3.04 -0.89 -1.63 116.94 122.66 3dkx h PHE 164 Ca 0.20 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 62.00 3dkx h PHE 164 Cb 0.22 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 3dkx h PHE 164 CO -0.18 0.37 -0.44 0.82 -2.02 0.00 0.00 178.31 176.85 3dkx h ILE 165 N 0.71 1.28 -0.85 1.41 1.08 0.22 -0.54 117.51 120.83 3dkx h ILE 165 Ca 0.33 -1.62 0.15 0.00 -0.39 0.00 0.00 64.86 63.32 3dkx h ILE 165 Cb 0.36 1.49 -0.09 0.00 -3.07 0.00 0.00 36.82 35.50 3dkx h ILE 165 CO -0.12 0.53 0.43 0.44 -0.69 0.00 0.00 178.15 178.75 3dkx h ASP 166 N 0.69 0.51 0.00 1.72 3.45 -0.15 0.19 116.42 122.83 3dkx h ASP 166 Ca 0.04 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 3dkx h ASP 166 Cb 1.03 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.81 3dkx h ASP 166 CO 0.10 0.21 -0.02 -0.33 -1.57 0.00 0.00 179.24 177.63 3dkx h GLU 167 N 0.61 0.00 -0.36 3.56 5.08 -1.31 -3.41 114.58 118.75 3dkx h GLU 167 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3dkx h GLU 167 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3dkx h GLU 167 CO -0.37 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 3dkx n ASN 168 N -4.74 3.12 -0.29 1.42 4.13 -0.22 -4.68 115.26 113.99 3dkx n ASN 168 Ca -0.02 -1.90 0.11 0.00 1.68 0.00 0.00 54.58 54.44 3dkx n ASN 168 Cb 0.10 -0.23 0.25 0.00 -1.54 0.00 0.00 39.78 38.36 3dkx n ASN 168 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3dkx h GLY 169 N 3.37 1.22 1.38 7.41 0.00 -0.70 -2.19 103.07 113.56 3dkx h GLY 169 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3dkx h GLY 169 CO 0.00 -0.34 -0.20 0.83 0.00 0.00 0.00 176.54 176.83 3dkx h GLU 170 N 0.19 0.72 -1.01 4.80 5.08 -1.81 -0.30 114.58 122.26 3dkx h GLU 170 Ca 0.51 -0.27 0.23 0.00 -1.00 0.00 0.00 59.36 58.83 3dkx h GLU 170 Cb 0.99 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.09 3dkx h GLU 170 CO -0.65 0.87 0.62 1.15 -1.00 0.00 0.00 179.01 180.00 3dkx h THR 171 N 0.64 0.60 -0.31 1.13 2.02 -1.75 -2.43 112.91 112.80 3dkx h THR 171 Ca 0.09 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3dkx h THR 171 Cb 0.68 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3dkx h THR 171 CO 0.05 0.11 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 3dkx n TYR 172 N -4.76 0.39 -1.14 3.16 4.02 -0.80 -4.97 117.16 113.07 3dkx n TYR 172 Ca 0.25 -0.26 -0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3dkx n TYR 172 Cb 0.72 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 40.03 3dkx n TYR 172 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dkx n GLY 173 N 1.07 0.39 3.57 2.72 0.00 -0.75 -5.04 105.19 107.15 3dkx n GLY 173 Ca 0.15 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 3dkx n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkx s LEU 174 N -0.05 3.00 0.20 0.99 1.43 -0.20 -5.00 118.68 119.06 3dkx s LEU 174 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3dkx s LEU 174 Cb 0.00 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3dkx s LEU 174 CO 0.00 0.16 0.08 0.42 0.23 0.00 0.00 176.35 177.24 3dkx s THR 175 N -1.34 0.33 0.10 5.49 -4.23 -1.26 -4.05 115.64 110.69 3dkx s THR 175 Ca 0.22 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.45 3dkx s THR 175 Cb -0.10 -2.40 -0.11 0.00 1.34 0.00 0.00 72.50 71.22 3dkx s THR 175 CO 0.14 -0.16 1.62 0.40 -0.54 0.00 0.00 174.62 176.07 3dkx h ILE 176 N 2.59 0.31 0.00 2.99 1.08 -1.94 0.15 117.51 122.68 3dkx h ILE 176 Ca -0.37 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 3dkx h ILE 176 Cb 1.23 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3dkx h ILE 176 CO 0.58 0.00 -0.08 0.78 -0.69 0.00 0.00 178.15 178.74 3dkx h ASN 177 N -0.65 0.00 -0.10 1.72 2.35 -1.99 -1.17 115.58 115.74 3dkx h ASN 177 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3dkx h ASN 177 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3dkx h ASN 177 CO -0.11 0.08 -0.33 0.25 -1.65 0.00 0.00 177.43 175.68 3dkx h LEU 178 N 0.00 0.46 -0.44 1.61 5.85 -1.83 -1.72 115.31 119.23 3dkx h LEU 178 Ca -0.00 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.20 3dkx h LEU 178 Cb 0.15 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3dkx h LEU 178 CO 0.01 0.99 -0.06 0.58 -0.34 0.00 0.00 178.44 179.62 3dkx h VAL 179 N -0.05 0.60 -0.85 1.05 2.07 -0.23 0.25 116.25 119.09 3dkx h VAL 179 Ca -0.01 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3dkx h VAL 179 Cb 0.95 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3dkx h VAL 179 CO 0.07 0.01 0.50 0.78 0.02 0.00 0.00 177.57 178.95 3dkx h ASN 180 N 0.04 0.73 -0.04 0.57 2.35 -1.13 0.73 115.58 118.85 3dkx h ASN 180 Ca 0.21 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3dkx h ASN 180 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3dkx h ASN 180 CO -0.41 0.43 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.48 3dkx h GLU 181 N 0.85 0.44 -0.04 0.81 4.81 -0.42 -2.77 114.58 118.25 3dkx h GLU 181 Ca 0.40 -0.16 -0.23 0.00 -0.13 0.00 0.00 59.36 59.24 3dkx h GLU 181 Cb 0.34 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.70 3dkx h GLU 181 CO -0.23 0.65 -0.88 0.28 -0.73 0.00 0.00 179.01 178.10 3dkx h VAL 182 N 0.40 1.31 -0.01 0.32 2.07 0.65 -3.26 116.25 117.72 3dkx h VAL 182 Ca 0.06 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3dkx h VAL 182 Cb 0.63 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3dkx h VAL 182 CO 0.05 0.65 -0.10 2.30 0.02 0.00 0.00 177.57 180.49 3dkx n ILE 183 N -3.96 0.00 -1.63 4.57 -5.35 0.14 -4.84 119.36 108.29 3dkx n ILE 183 Ca -0.10 -0.16 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 3dkx n ILE 183 Cb 0.80 0.31 0.02 0.00 -1.74 0.00 0.00 39.64 39.02 3dkx n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dkx n ALA 184 N -0.35 0.43 -0.96 -1.28 0.00 -1.05 -1.20 120.51 116.10 3dkx n ALA 184 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3dkx n ALA 184 Cb 0.32 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3dkx n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dkx n GLY 185 N 1.12 0.33 1.39 0.00 0.00 -1.26 -4.80 105.19 101.96 3dkx n GLY 185 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3dkx n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dkx n LYS 186 N -1.36 0.14 0.09 1.61 5.02 -0.34 -4.85 118.16 118.47 3dkx n LYS 186 Ca 0.00 -2.08 -0.06 0.00 -2.02 0.00 0.00 58.31 54.15 3dkx n LYS 186 Cb 0.18 -0.16 0.08 0.00 -0.02 0.00 0.00 35.03 35.11 3dkx n LYS 186 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3dkx h THR 187 N 6.47 1.44 -0.92 -0.18 1.35 -1.87 -0.76 112.91 118.43 3dkx h THR 187 Ca -0.20 -2.25 0.07 0.00 -0.55 0.00 0.00 66.41 63.47 3dkx h THR 187 Cb 1.81 2.20 -0.07 0.00 -1.73 0.00 0.00 68.15 70.36 3dkx h THR 187 CO 0.09 0.66 0.58 1.23 -0.25 0.00 0.00 175.52 177.83 3dkx h GLY 188 N 1.69 1.41 1.00 5.82 0.00 -1.94 0.23 103.07 111.27 3dkx h GLY 188 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3dkx h GLY 188 CO 0.11 0.28 -0.23 -2.75 0.00 0.00 0.00 176.54 173.96 3dkx h PHE 189 N 1.05 0.90 -0.87 5.60 3.04 -1.72 -2.15 116.94 122.79 3dkx h PHE 189 Ca 0.40 -0.24 0.05 0.00 3.98 0.00 0.00 57.97 62.17 3dkx h PHE 189 Cb 0.19 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 3dkx h PHE 189 CO -0.02 0.99 0.57 0.52 -2.02 0.00 0.00 178.31 178.35 3dkx h MET 190 N 0.55 0.99 0.00 1.11 2.86 -0.07 -0.67 114.93 119.70 3dkx h MET 190 Ca 0.07 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3dkx h MET 190 Cb 0.78 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3dkx h MET 190 CO 0.06 0.65 -0.26 -0.22 1.06 0.00 0.00 176.91 178.20 3dkx h LYS 191 N 1.02 0.00 -0.19 1.72 1.63 -0.01 -1.21 116.57 119.53 3dkx h LYS 191 Ca 0.36 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.12 3dkx h LYS 191 Cb 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3dkx h LYS 191 CO -0.13 0.26 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.00 3dkx h LEU 192 N 0.00 0.37 0.70 5.20 4.07 -0.55 -2.35 115.31 122.76 3dkx h LEU 192 Ca -0.00 -0.38 -0.03 0.00 0.08 0.00 0.00 57.88 57.54 3dkx h LEU 192 Cb 0.85 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.49 3dkx h LEU 192 CO 0.03 0.67 -0.34 -0.07 -1.08 0.00 0.00 178.44 177.66 3dkx h LEU 193 N 0.07 -0.80 -0.84 1.67 3.38 -0.74 -1.73 115.31 116.32 3dkx h LEU 193 Ca 0.05 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3dkx h LEU 193 Cb 0.52 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3dkx h LEU 193 CO 0.02 -0.55 0.51 -0.26 0.09 0.00 0.00 178.44 178.26 3dkx h PHE 194 N -0.98 0.95 -0.49 1.13 0.04 -1.34 0.12 116.94 116.37 3dkx h PHE 194 Ca -0.10 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.80 3dkx h PHE 194 Cb 0.73 -0.30 -0.09 0.00 2.20 0.00 0.00 35.95 38.49 3dkx h PHE 194 CO -0.02 0.48 -0.04 -0.44 -0.60 0.00 0.00 178.31 177.68 3dkx h ASP 195 N 0.93 -0.30 -0.03 2.17 3.32 -1.33 0.49 116.42 121.68 3dkx h ASP 195 Ca 0.37 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 3dkx h ASP 195 Cb 0.18 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3dkx h ASP 195 CO -0.18 -0.11 0.01 1.23 -1.72 0.00 0.00 179.24 178.48 3dkx h GLY 196 N 0.07 0.05 0.38 2.75 0.00 -0.25 -1.64 103.07 104.42 3dkx h GLY 196 Ca 0.24 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.61 3dkx h GLY 196 CO -0.45 0.02 -0.13 0.00 0.00 0.00 0.00 176.54 175.99 3dkx h ALA 197 N 0.90 0.06 -0.15 3.60 0.00 -0.26 -0.63 119.26 122.78 3dkx h ALA 197 Ca 0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3dkx h ALA 197 Cb 0.11 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3dkx h ALA 197 CO -0.00 -0.54 -0.33 -0.92 0.00 0.00 0.00 179.25 177.45 3dkx h TYR 198 N -0.10 -0.92 0.00 0.00 3.20 0.35 -0.82 116.97 118.68 3dkx h TYR 198 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3dkx h TYR 198 Cb 0.30 0.43 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3dkx h TYR 198 CO -0.30 -0.41 0.00 -0.56 -1.64 0.00 0.00 178.16 175.26 3dkx h GLN 199 N -0.40 0.00 0.15 1.82 3.07 -1.09 -2.83 115.11 115.84 3dkx h GLN 199 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.83 3dkx h GLN 199 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3dkx h GLN 199 CO -0.37 0.00 -0.07 -0.09 0.09 0.00 0.00 178.83 178.38 3dkx h ARG 200 N 0.00 -0.20 -0.04 0.06 9.65 -0.58 -2.93 114.38 120.34 3dkx h ARG 200 Ca 0.00 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3dkx h ARG 200 Cb 0.83 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.45 3dkx h ARG 200 CO 0.00 0.10 0.16 0.66 2.80 0.00 0.00 179.97 183.69 3dkx h SER 201 N -0.49 0.00 0.51 -3.80 4.64 -0.92 0.86 113.55 114.34 3dkx h SER 201 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3dkx h SER 201 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3dkx h SER 201 CO 0.03 0.00 -0.38 1.17 -0.87 0.00 0.00 176.83 176.79 3dkx n LYS 202 N -3.17 0.18 0.00 4.77 4.81 -1.11 -5.12 118.16 118.52 3dkx n LYS 202 Ca -0.02 -0.09 0.12 0.00 -0.87 0.00 0.00 58.31 57.45 3dkx n LYS 202 Cb 0.24 -1.50 0.15 0.00 0.02 0.00 0.00 35.03 33.94 3dkx n LYS 202 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44