#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkx n GLU 4 N 0.00 0.71 -4.94 1.97 2.13 -1.26 -4.95 120.64 114.30 3dkx n GLU 4 Ca 0.00 0.29 -0.30 0.00 0.66 0.00 0.00 57.16 57.81 3dkx n GLU 4 Cb 0.00 -2.17 -0.17 0.00 0.27 0.00 0.00 31.44 29.37 3dkx n GLU 4 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3dkx s LYS 5 N -2.97 2.73 0.24 5.31 1.02 -1.26 -4.22 119.74 120.59 3dkx s LYS 5 Ca 0.75 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 3dkx s LYS 5 Cb -0.39 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3dkx s LYS 5 CO 0.48 0.10 0.22 0.00 -0.92 0.00 0.00 175.35 175.23 3dkx s ALA 6 N 0.54 1.12 -0.20 5.17 0.00 0.73 -4.76 121.76 124.35 3dkx s ALA 6 Ca -0.15 -1.67 0.10 0.00 0.00 0.00 0.00 51.96 50.25 3dkx s ALA 6 Cb -0.17 1.36 -0.20 0.00 0.00 0.00 0.00 23.12 24.11 3dkx s ALA 6 CO 0.05 -0.65 -0.05 0.54 0.00 0.00 0.00 175.76 175.66 3dkx n ARG 7 N -0.37 0.85 -3.32 0.00 1.74 -1.26 -1.12 116.66 113.18 3dkx n ARG 7 Ca 0.03 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.76 3dkx n ARG 7 Cb 0.65 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.53 3dkx n ARG 7 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkx s TYR 8 N -2.45 3.23 0.23 -1.55 2.02 -1.26 -0.72 117.35 116.84 3dkx s TYR 8 Ca -0.18 0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.95 3dkx s TYR 8 Cb 0.06 -2.70 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 3dkx s TYR 8 CO 0.66 -0.34 -0.09 -0.06 -1.57 0.00 0.00 175.55 174.15 3dkx s PHE 9 N 2.20 1.73 0.00 2.71 0.40 -0.02 -0.41 117.98 124.59 3dkx s PHE 9 Ca 0.17 -0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 55.72 3dkx s PHE 9 Cb -0.16 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.48 3dkx s PHE 9 CO 0.11 0.26 0.21 -0.08 0.70 0.00 0.00 175.22 176.41 3dkx s THR 10 N -3.08 0.08 0.19 0.64 -1.32 -0.21 -1.21 115.64 110.73 3dkx s THR 10 Ca 0.25 -0.66 -0.24 0.00 -1.21 0.00 0.00 61.69 59.84 3dkx s THR 10 Cb 0.02 -0.59 0.05 0.00 -1.51 0.00 0.00 72.50 70.47 3dkx s THR 10 CO 0.08 -0.36 0.88 0.72 -2.21 0.00 0.00 174.62 173.73 3dkx s PHE 11 N -1.61 -0.16 0.00 9.09 -0.12 -1.13 -1.45 117.98 122.60 3dkx s PHE 11 Ca -0.12 -0.19 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 3dkx s PHE 11 Cb -0.05 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 3dkx s PHE 11 CO 0.01 -0.95 0.15 -0.51 -0.05 0.00 0.00 175.22 173.87 3dkx s LEU 12 N -2.92 4.21 -0.05 -1.99 2.01 -1.26 -1.48 118.68 117.19 3dkx s LEU 12 Ca 0.12 0.27 0.05 0.00 0.01 0.00 0.00 54.13 54.57 3dkx s LEU 12 Cb -0.03 -2.53 -0.00 0.00 0.01 0.00 0.00 46.19 43.64 3dkx s LEU 12 CO 0.03 0.26 -0.19 -0.76 1.01 0.00 0.00 176.35 176.70 3dkx s LEU 13 N -1.94 1.94 -0.17 1.79 1.43 -0.91 -4.77 118.68 116.05 3dkx s LEU 13 Ca 0.27 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3dkx s LEU 13 Cb -0.12 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3dkx s LEU 13 CO 0.18 0.17 0.01 -0.31 0.23 0.00 0.00 176.35 176.62 3dkx s TYR 14 N 0.03 3.11 0.52 0.29 1.51 -1.26 -0.11 117.35 121.44 3dkx s TYR 14 Ca -0.05 -0.17 0.38 0.00 -1.01 0.00 0.00 57.07 56.22 3dkx s TYR 14 Cb -0.12 -2.02 1.54 0.00 -0.11 0.00 0.00 41.96 41.24 3dkx s TYR 14 CO 0.03 0.01 1.72 -1.35 -1.11 0.00 0.00 175.55 174.85 3dkx h PRO 15 N 6.82 0.05 0.00 -1.71 0.11 -1.93 -1.71 132.00 133.63 3dkx h PRO 15 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3dkx h PRO 15 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dkx h PRO 15 CO 0.65 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 3dkx n GLU 16 N -4.23 0.03 -2.73 1.05 0.28 -1.26 -3.37 120.64 110.41 3dkx n GLU 16 Ca 0.32 0.27 -0.00 0.00 -0.16 0.00 0.00 57.16 57.58 3dkx n GLU 16 Cb 1.43 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 32.87 3dkx n GLU 16 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3dkx n SER 17 N -1.46 0.80 -3.85 -1.84 3.41 -0.64 -5.06 113.62 104.97 3dkx n SER 17 Ca 0.03 -2.07 -0.12 0.00 -0.26 0.00 0.00 58.87 56.45 3dkx n SER 17 Cb 0.13 -0.19 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.70 -0.00 1.02 -1.33 -4.36 -1.22 -4.21 121.20 108.40 3dkx s ILE 18 Ca 0.23 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.49 3dkx s ILE 18 Cb 0.35 -0.08 0.10 0.00 1.25 0.00 0.00 42.46 44.07 3dkx s ILE 18 CO -0.07 0.00 0.46 -2.65 0.24 0.00 0.00 174.94 172.93 3dkx n PRO 19 N 3.12 -0.89 -0.08 0.37 -0.02 -1.26 -4.89 135.00 131.34 3dkx n PRO 19 Ca -0.13 -0.22 -0.09 0.00 -2.02 0.00 0.00 63.50 61.03 3dkx n PRO 19 Cb 0.59 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3dkx n PRO 19 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dkx h SER 20 N -1.86 0.82 -0.71 2.55 4.64 -2.01 -2.94 113.55 114.04 3dkx h SER 20 Ca -0.48 -0.34 -0.39 0.00 -0.47 0.00 0.00 61.79 60.11 3dkx h SER 20 Cb 1.31 -0.23 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 3dkx h SER 20 CO 0.38 1.07 0.50 -0.90 -0.87 0.00 0.00 176.83 177.00 3dkx n ASP 21 N -4.07 4.25 -0.29 4.97 5.75 -1.26 -4.58 116.55 121.32 3dkx n ASP 21 Ca -0.01 -3.19 0.21 0.00 -0.01 0.00 0.00 54.79 51.79 3dkx n ASP 21 Cb 0.49 -0.80 0.51 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.91 0.60 0.04 2.11 5.08 -1.86 -2.44 115.95 120.40 3dkx h TRP 22 Ca 0.45 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.43 3dkx h TRP 22 Cb 2.02 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 28.00 3dkx h TRP 22 CO 1.12 0.10 -0.02 1.49 -1.28 0.00 0.00 178.44 179.85 3dkx h GLU 23 N 0.41 -0.06 -0.02 0.12 4.81 -1.88 -1.00 114.58 116.95 3dkx h GLU 23 Ca 0.54 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.76 3dkx h GLU 23 Cb 1.36 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 3dkx h GLU 23 CO -0.24 0.20 -0.03 1.25 -0.73 0.00 0.00 179.01 179.46 3dkx h LEU 24 N -0.31 0.03 -0.05 1.64 5.85 -1.85 -2.67 115.31 117.95 3dkx h LEU 24 Ca -0.01 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3dkx h LEU 24 Cb 0.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3dkx h LEU 24 CO 0.01 0.07 -0.11 0.11 -0.34 0.00 0.00 178.44 178.18 3dkx h LYS 25 N 0.03 0.16 -0.57 1.25 1.57 -1.10 -2.89 116.57 115.03 3dkx h LYS 25 Ca 0.01 -0.11 0.16 0.00 -1.87 0.00 0.00 60.65 58.84 3dkx h LYS 25 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3dkx h LYS 25 CO 0.00 0.70 0.42 -0.07 -0.57 0.00 0.00 179.45 179.93 3dkx h LEU 26 N -0.34 0.00 -1.34 2.94 3.38 -1.04 0.12 115.31 119.03 3dkx h LEU 26 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3dkx h LEU 26 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3dkx h LEU 26 CO 0.02 0.00 -0.31 -0.08 0.09 0.00 0.00 178.44 178.16 3dkx h GLU 27 N 0.00 0.00 0.00 1.13 4.81 -1.26 -2.96 114.58 116.30 3dkx h GLU 27 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3dkx h GLU 27 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3dkx h GLU 27 CO -0.00 0.31 0.00 0.25 -0.73 0.00 0.00 179.01 178.84 3dkx n THR 28 N -3.86 0.28 0.97 0.32 -2.24 0.41 -2.65 114.28 107.51 3dkx n THR 28 Ca -0.01 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 3dkx n THR 28 Cb 0.39 -0.67 0.60 0.00 -2.10 0.00 0.00 70.33 68.56 3dkx n THR 28 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dkx n LEU 29 N -1.37 0.06 0.00 3.22 4.77 -1.12 -4.91 117.00 117.66 3dkx n LEU 29 Ca 0.09 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3dkx n LEU 29 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3dkx n LEU 29 CO 0.20 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3dkx n GLY 30 N 1.47 1.88 3.76 -0.72 0.00 -1.08 -4.97 105.19 105.52 3dkx n GLY 30 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3dkx n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dkx s VAL 31 N -1.51 3.54 0.30 1.61 1.01 -1.26 -4.99 120.40 119.10 3dkx s VAL 31 Ca 0.00 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 3dkx s VAL 31 Cb 0.00 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 3dkx s VAL 31 CO 0.00 0.35 1.12 -2.84 0.00 0.00 0.00 175.10 173.73 3dkx s PRO 32 N -1.29 4.54 -0.06 2.72 0.02 -1.26 -4.62 135.00 135.06 3dkx s PRO 32 Ca 0.45 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 3dkx s PRO 32 Cb -0.32 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.12 3dkx s PRO 32 CO 0.40 0.11 0.23 -1.64 -0.33 0.00 0.00 177.00 175.77 3dkx s MET 33 N -1.61 0.37 -0.16 5.54 -1.94 -0.78 -2.18 119.30 118.54 3dkx s MET 33 Ca 0.47 0.11 -0.01 0.00 -1.71 0.00 0.00 55.69 54.54 3dkx s MET 33 Cb -0.32 0.17 -0.01 0.00 2.01 0.00 0.00 34.83 36.68 3dkx s MET 33 CO 0.41 -0.07 -0.10 0.00 -0.01 0.00 0.00 175.02 175.25 3dkx s ALA 34 N -0.38 2.69 -0.13 3.03 0.00 0.27 -1.08 121.76 126.16 3dkx s ALA 34 Ca -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 3dkx s ALA 34 Cb -0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3dkx s ALA 34 CO 0.01 -0.01 -0.10 0.42 0.00 0.00 0.00 175.76 176.09 3dkx s ILE 35 N 0.77 3.36 0.67 0.00 1.01 -0.50 0.22 121.20 126.73 3dkx s ILE 35 Ca -0.04 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3dkx s ILE 35 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3dkx s ILE 35 CO 0.01 0.52 1.22 -0.94 0.00 0.00 0.00 174.94 175.76 3dkx s SER 36 N 0.22 4.63 0.98 3.58 1.04 0.54 -0.84 113.70 123.84 3dkx s SER 36 Ca -0.06 2.40 -0.14 0.00 0.48 0.00 0.00 55.95 58.62 3dkx s SER 36 Cb -0.15 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.38 3dkx s SER 36 CO 0.04 -1.97 0.12 -2.65 0.98 0.00 0.00 173.24 169.76 3dkx n PRO 37 N -2.20 -0.35 -1.68 4.02 -0.02 -1.25 -4.67 135.00 128.85 3dkx n PRO 37 Ca 0.14 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3dkx n PRO 37 Cb 0.50 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3dkx n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dkx s LEU 38 N 0.64 4.26 -1.05 2.45 0.20 -1.26 -4.68 118.68 119.23 3dkx s LEU 38 Ca 0.53 2.51 -0.22 0.00 0.69 0.00 0.00 54.13 57.64 3dkx s LEU 38 Cb -0.19 -3.53 0.06 0.00 -0.43 0.00 0.00 46.19 42.11 3dkx s LEU 38 CO 0.70 -1.21 1.46 -1.00 -0.29 0.00 0.00 176.35 176.01 3dkx s HIS 39 N 5.11 2.66 -0.40 5.38 3.76 0.70 -4.68 115.29 127.82 3dkx s HIS 39 Ca 0.90 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 3dkx s HIS 39 Cb -0.40 -4.65 0.05 0.00 1.11 0.00 0.00 32.58 28.69 3dkx s HIS 39 CO 0.40 -1.86 0.79 -0.40 -0.85 0.00 0.00 174.74 172.82 3dkx n ASP 40 N 8.48 1.67 -2.56 1.40 3.85 -1.26 -1.73 116.55 126.40 3dkx n ASP 40 Ca 0.34 -1.46 -0.13 0.00 -0.71 0.00 0.00 54.79 52.83 3dkx n ASP 40 Cb 0.50 -0.03 0.03 0.00 -1.35 0.00 0.00 41.12 40.27 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 0.07 2.22 -3.23 0.11 5.02 -1.26 -4.79 118.16 116.30 3dkx n LYS 41 Ca 0.03 -3.75 -0.41 0.00 -2.02 0.00 0.00 58.31 52.16 3dkx n LYS 41 Cb 0.17 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 3dkx n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dkx s ASP 42 N -3.47 6.35 -0.28 4.39 -0.00 -1.26 -4.66 116.67 117.74 3dkx s ASP 42 Ca 0.36 0.13 -0.32 0.00 -0.00 0.00 0.00 52.55 52.71 3dkx s ASP 42 Cb 0.40 -2.28 -0.09 0.00 -0.00 0.00 0.00 42.92 40.95 3dkx s ASP 42 CO -0.03 -0.44 2.18 1.17 -0.00 0.00 0.00 175.17 178.05 3dkx n LYS 43 N 5.73 1.48 -2.04 8.23 3.00 -1.26 0.06 118.16 133.35 3dkx n LYS 43 Ca -0.04 0.41 -0.29 0.00 -0.00 0.00 0.00 58.31 58.39 3dkx n LYS 43 Cb 0.49 -2.77 0.05 0.00 0.00 0.00 0.00 35.03 32.80 3dkx n LYS 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3dkx s SER 44 N 7.50 5.31 -0.03 3.14 0.15 -0.96 -4.80 113.70 124.02 3dkx s SER 44 Ca 1.05 0.92 0.04 0.00 0.70 0.00 0.00 55.95 58.66 3dkx s SER 44 Cb -0.65 -1.72 0.06 0.00 -1.71 0.00 0.00 66.02 62.00 3dkx s SER 44 CO 0.44 -1.36 0.89 -1.54 1.20 0.00 0.00 173.24 172.86 3dkx n SER 45 N -2.93 1.20 -4.74 5.45 3.41 -1.26 -4.90 113.62 109.85 3dkx n SER 45 Ca 0.06 -1.93 -0.37 0.00 -0.26 0.00 0.00 58.87 56.38 3dkx n SER 45 Cb 0.58 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.47 3dkx n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dkx s ILE 46 N -0.93 2.18 0.16 -1.33 1.09 -1.26 -4.95 121.20 116.15 3dkx s ILE 46 Ca 0.06 0.11 -0.32 0.00 -1.10 0.00 0.00 60.65 59.41 3dkx s ILE 46 Cb 0.05 -3.05 -0.10 0.00 -1.06 0.00 0.00 42.46 38.31 3dkx s ILE 46 CO 0.01 -0.02 1.62 -0.75 -0.10 0.00 0.00 174.94 175.70 3dkx s LYS 47 N -3.34 4.19 -1.25 2.79 2.20 -1.26 -3.19 119.74 119.88 3dkx s LYS 47 Ca 0.81 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.84 3dkx s LYS 47 Cb -0.36 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3dkx s LYS 47 CO 0.38 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 3dkx n GLY 48 N 3.86 0.42 2.97 5.54 0.00 -1.26 -5.00 105.19 111.71 3dkx n GLY 48 Ca 0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3dkx n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dkx s GLN 49 N -4.09 1.94 -0.11 1.61 0.74 -1.19 -5.05 119.66 113.51 3dkx s GLN 49 Ca 0.00 -0.43 -0.22 0.00 0.05 0.00 0.00 55.36 54.76 3dkx s GLN 49 Cb 0.00 -1.89 -0.19 0.00 1.10 0.00 0.00 33.01 32.03 3dkx s GLN 49 CO 0.00 -0.26 0.66 -0.22 -0.55 0.00 0.00 175.29 174.92 3dkx h LYS 50 N 8.11 -0.03 -6.31 1.67 3.64 -1.90 -3.39 116.57 118.35 3dkx h LYS 50 Ca -0.34 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.43 3dkx h LYS 50 Cb 1.13 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.81 3dkx h LYS 50 CO 0.47 0.64 -0.76 0.71 -2.27 0.00 0.00 179.45 178.24 3dkx s TYR 51 N -2.41 2.34 0.85 1.91 4.12 -1.26 -2.25 117.35 120.65 3dkx s TYR 51 Ca -0.14 -0.32 -0.12 0.00 0.02 0.00 0.00 57.07 56.51 3dkx s TYR 51 Cb -0.02 -1.05 0.10 0.00 -1.52 0.00 0.00 41.96 39.47 3dkx s TYR 51 CO 0.51 0.65 1.10 0.15 0.02 0.00 0.00 175.55 177.99 3dkx s LYS 52 N -3.30 1.66 0.13 -0.62 1.02 0.11 -4.62 119.74 114.12 3dkx s LYS 52 Ca 0.28 0.66 -0.34 0.00 0.02 0.00 0.00 55.97 56.59 3dkx s LYS 52 Cb -0.06 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 3dkx s LYS 52 CO 0.14 -1.92 1.59 1.17 -0.92 0.00 0.00 175.35 175.41 3dkx n LYS 53 N -3.64 2.07 -1.86 1.68 4.81 -1.26 -4.78 118.16 115.18 3dkx n LYS 53 Ca 0.07 0.75 -0.40 0.00 -0.87 0.00 0.00 58.31 57.86 3dkx n LYS 53 Cb 0.56 -2.51 0.01 0.00 0.02 0.00 0.00 35.03 33.11 3dkx n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dkx s ALA 54 N 1.20 3.28 0.14 3.14 0.00 -1.26 -4.93 121.76 123.33 3dkx s ALA 54 Ca 0.81 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 54.01 3dkx s ALA 54 Cb -0.70 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 18.89 3dkx s ALA 54 CO 0.40 -1.09 0.45 -3.38 0.00 0.00 0.00 175.76 172.15 3dkx s HIS 55 N -1.21 -0.28 0.02 0.00 -3.43 -0.70 -4.40 115.29 105.28 3dkx s HIS 55 Ca 0.59 -0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.87 3dkx s HIS 55 Cb -0.43 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 3dkx s HIS 55 CO 0.55 -0.75 -0.01 0.71 -2.00 0.00 0.00 174.74 173.24 3dkx s TYR 56 N -3.79 3.02 -0.19 0.38 2.02 0.84 -0.21 117.35 119.41 3dkx s TYR 56 Ca 0.03 0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.68 3dkx s TYR 56 Cb 0.01 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3dkx s TYR 56 CO -0.12 0.45 0.10 -1.01 -1.57 0.00 0.00 175.55 173.40 3dkx s HIS 57 N -1.12 3.33 -0.19 2.71 3.76 -1.26 -2.14 115.29 120.38 3dkx s HIS 57 Ca 0.20 0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.28 3dkx s HIS 57 Cb -0.11 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 3dkx s HIS 57 CO 0.12 0.22 -0.05 0.08 -0.85 0.00 0.00 174.74 174.26 3dkx s VAL 58 N 0.38 3.52 -0.30 -0.90 1.01 -0.55 -0.34 120.40 123.22 3dkx s VAL 58 Ca 0.06 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3dkx s VAL 58 Cb -0.12 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3dkx s VAL 58 CO -0.01 0.45 0.49 -0.22 0.00 0.00 0.00 175.10 175.81 3dkx s LEU 59 N 1.03 4.16 -0.16 3.92 0.20 0.60 -2.85 118.68 125.57 3dkx s LEU 59 Ca 0.01 0.27 -0.00 0.00 0.69 0.00 0.00 54.13 55.09 3dkx s LEU 59 Cb -0.15 -2.59 0.04 0.00 -0.43 0.00 0.00 46.19 43.06 3dkx s LEU 59 CO 0.00 -0.35 -0.08 -0.47 -0.29 0.00 0.00 176.35 175.17 3dkx s TYR 60 N 2.30 1.92 -0.30 5.38 6.14 -0.35 0.96 117.35 133.42 3dkx s TYR 60 Ca 0.19 -1.19 -0.01 0.00 0.64 0.00 0.00 57.07 56.71 3dkx s TYR 60 Cb -0.16 -1.43 0.06 0.00 0.42 0.00 0.00 41.96 40.85 3dkx s TYR 60 CO 0.11 -0.64 -0.02 0.96 0.64 0.00 0.00 175.55 176.60 3dkx s ILE 61 N 1.56 2.80 0.64 3.14 -4.36 -0.93 -0.84 121.20 123.22 3dkx s ILE 61 Ca 0.01 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 58.75 3dkx s ILE 61 Cb -0.15 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 3dkx s ILE 61 CO -0.08 -0.12 1.16 0.00 0.24 0.00 0.00 174.94 176.14 3dkx s ALA 62 N 1.21 2.43 0.06 2.27 0.00 0.10 -4.06 121.76 123.76 3dkx s ALA 62 Ca -0.05 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 3dkx s ALA 62 Cb -0.20 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 3dkx s ALA 62 CO -0.02 -1.34 1.54 -0.22 0.00 0.00 0.00 175.76 175.72 3dkx h LYS 63 N 0.33 0.19 -5.77 0.00 3.64 -1.95 -3.45 116.57 109.57 3dkx h LYS 63 Ca -0.48 -0.05 -0.49 0.00 -1.27 0.00 0.00 60.65 58.36 3dkx h LYS 63 Cb 1.28 -0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.88 3dkx h LYS 63 CO 0.54 0.38 -0.78 -0.80 -2.27 0.00 0.00 179.45 176.51 3dkx s ASN 64 N -5.62 2.36 -0.34 4.20 0.01 -1.26 -5.05 114.94 109.23 3dkx s ASN 64 Ca -0.14 -0.79 -0.39 0.00 -0.71 0.00 0.00 52.86 50.83 3dkx s ASN 64 Cb 0.06 -0.12 -0.14 0.00 0.41 0.00 0.00 41.25 41.46 3dkx s ASN 64 CO 0.70 -0.06 1.99 -2.65 -1.51 0.00 0.00 177.10 175.57 3dkx n PRO 65 N 0.59 0.96 -3.89 -0.60 -0.02 -1.26 -4.74 135.00 126.04 3dkx n PRO 65 Ca -0.16 0.31 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 3dkx n PRO 65 Cb 0.56 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3dkx n PRO 65 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3dkx n VAL 66 N 5.94 0.00 -4.50 -1.45 0.24 -0.28 -4.69 118.33 113.59 3dkx n VAL 66 Ca 0.37 -1.76 -0.33 0.00 -2.04 0.00 0.00 64.34 60.57 3dkx n VAL 66 Cb 0.15 0.46 -0.14 0.00 -1.47 0.00 0.00 33.84 32.84 3dkx n VAL 66 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dkx s THR 67 N -2.47 3.36 0.00 3.34 -4.23 -1.26 -0.20 115.64 114.18 3dkx s THR 67 Ca 0.06 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3dkx s THR 67 Cb 0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3dkx s THR 67 CO 0.04 0.50 0.00 0.00 -0.54 0.00 0.00 174.62 174.62 3dkx n ALA 68 N 3.75 0.00 -0.28 3.99 0.00 -1.26 0.20 120.51 126.91 3dkx n ALA 68 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 3dkx n ALA 68 Cb 0.52 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.27 3dkx n ALA 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dkx h ASP 69 N 0.00 0.80 -0.61 0.00 5.19 -1.94 0.40 116.42 120.26 3dkx h ASP 69 Ca 0.00 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 3dkx h ASP 69 Cb 0.00 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3dkx h ASP 69 CO 0.00 0.48 0.14 0.77 -3.12 0.00 0.00 179.24 177.51 3dkx h SER 70 N 0.89 0.93 -0.31 6.45 4.64 0.19 -1.67 113.55 124.67 3dkx h SER 70 Ca 0.41 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3dkx h SER 70 Cb 0.39 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3dkx h SER 70 CO -0.17 0.92 -0.10 0.58 -0.87 0.00 0.00 176.83 177.19 3dkx h VAL 71 N 0.89 1.25 -0.25 0.95 2.07 -0.96 -2.56 116.25 117.64 3dkx h VAL 71 Ca 0.19 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3dkx h VAL 71 Cb 0.36 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3dkx h VAL 71 CO 0.00 0.38 -0.02 -0.09 0.02 0.00 0.00 177.57 177.87 3dkx h ARG 72 N 0.67 0.46 -0.13 1.57 2.43 -0.57 -2.29 114.38 116.52 3dkx h ARG 72 Ca 0.12 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3dkx h ARG 72 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3dkx h ARG 72 CO 0.03 0.64 -0.16 0.87 -1.51 0.00 0.00 179.97 179.85 3dkx h LYS 73 N 0.22 0.21 -0.25 0.20 1.57 -1.25 0.21 116.57 117.48 3dkx h LYS 73 Ca 0.07 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3dkx h LYS 73 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3dkx h LYS 73 CO 0.02 0.38 0.04 -0.22 -0.57 0.00 0.00 179.45 179.10 3dkx h LYS 74 N 0.20 0.41 -0.25 3.15 3.64 -1.33 -0.49 116.57 121.90 3dkx h LYS 74 Ca 0.04 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 3dkx h LYS 74 Cb 0.41 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3dkx h LYS 74 CO 0.03 0.54 -0.50 0.82 -2.27 0.00 0.00 179.45 178.06 3dkx h ILE 75 N 0.23 1.30 0.32 2.00 1.08 -0.97 -2.32 117.51 119.15 3dkx h ILE 75 Ca 0.08 -1.71 -0.02 0.00 -0.39 0.00 0.00 64.86 62.82 3dkx h ILE 75 Cb 0.32 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3dkx h ILE 75 CO 0.00 0.55 -0.16 0.11 -0.69 0.00 0.00 178.15 177.96 3dkx h LYS 76 N 0.54 -0.42 -0.34 2.37 1.57 -0.89 -0.25 116.57 119.16 3dkx h LYS 76 Ca 0.02 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 3dkx h LYS 76 Cb 1.06 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3dkx h LYS 76 CO 0.10 -0.27 0.24 -0.07 -0.57 0.00 0.00 179.45 178.89 3dkx h LEU 77 N -0.45 0.07 0.07 2.94 4.07 -1.07 0.70 115.31 121.65 3dkx h LEU 77 Ca -0.04 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.75 3dkx h LEU 77 Cb 0.34 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.09 3dkx h LEU 77 CO 0.07 0.05 -0.70 0.25 -1.08 0.00 0.00 178.44 177.03 3dkx h LEU 78 N 0.08 0.49 0.00 1.67 6.46 -1.05 -3.40 115.31 119.57 3dkx h LEU 78 Ca 0.16 -0.86 0.00 0.00 -0.12 0.00 0.00 57.88 57.06 3dkx h LEU 78 Cb 0.53 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 3dkx h LEU 78 CO -0.01 1.30 -0.59 0.18 -0.62 0.00 0.00 178.44 178.70 3dkx n LEU 79 N -4.18 0.24 0.00 2.25 4.77 -0.14 -5.04 117.00 114.91 3dkx n LEU 79 Ca -0.12 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3dkx n LEU 79 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3dkx n LEU 79 CO 0.47 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3dkx n GLY 80 N 1.40 3.37 0.00 -0.72 0.00 0.24 -4.54 105.19 104.94 3dkx n GLY 80 Ca 0.01 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.43 3dkx n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dkx n GLU 81 N -0.37 0.26 -0.49 1.61 2.13 -1.23 -2.46 120.64 120.08 3dkx n GLU 81 Ca 0.00 0.07 0.04 0.00 0.66 0.00 0.00 57.16 57.93 3dkx n GLU 81 Cb 0.00 -1.50 0.20 0.00 0.27 0.00 0.00 31.44 30.41 3dkx n GLU 81 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3dkx n LYS 82 N -1.10 1.87 0.00 5.31 4.81 -1.26 -4.49 118.16 123.29 3dkx n LYS 82 Ca 0.07 -2.99 0.02 0.00 -0.87 0.00 0.00 58.31 54.54 3dkx n LYS 82 Cb 0.05 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 33.38 3dkx n LYS 82 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3dkx n SER 83 N -1.07 0.36 -3.76 3.14 3.41 -1.03 -4.82 113.62 109.84 3dkx n SER 83 Ca 0.23 -0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 58.04 3dkx n SER 83 Cb 0.83 0.87 -0.12 0.00 -0.26 0.00 0.00 64.21 65.53 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 -1.97 0.77 -0.01 1.04 1.43 -1.26 -4.67 118.68 114.01 3dkx s LEU 84 Ca 0.02 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.63 3dkx s LEU 84 Cb 0.03 0.80 -0.00 0.00 0.03 0.00 0.00 46.19 47.05 3dkx s LEU 84 CO 0.16 -0.12 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 3dkx n ALA 85 N 3.52 2.34 -2.69 4.21 0.00 -1.26 -5.00 120.51 121.62 3dkx n ALA 85 Ca -0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 3dkx n ALA 85 Cb 0.56 0.49 -0.11 0.00 0.00 0.00 0.00 19.45 20.38 3dkx n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkx s MET 86 N -2.01 0.66 -0.26 0.00 0.00 -1.26 -5.12 119.30 111.31 3dkx s MET 86 Ca -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 55.69 54.73 3dkx s MET 86 Cb 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 34.83 34.54 3dkx s MET 86 CO 0.01 0.07 0.18 0.08 0.00 0.00 0.00 175.02 175.36 3dkx s VAL 87 N -1.81 -0.20 0.47 5.16 1.01 -1.26 -4.57 120.40 119.20 3dkx s VAL 87 Ca -0.04 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3dkx s VAL 87 Cb -0.07 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 3dkx s VAL 87 CO -0.00 -0.51 0.99 -1.10 0.00 0.00 0.00 175.10 174.48 3dkx s GLN 88 N 2.21 3.99 0.02 2.72 1.11 -0.53 -4.85 119.66 124.33 3dkx s GLN 88 Ca 0.08 1.19 -0.25 0.00 0.01 0.00 0.00 55.36 56.39 3dkx s GLN 88 Cb -0.15 -2.14 -0.05 0.00 -1.01 0.00 0.00 33.01 29.66 3dkx s GLN 88 CO -0.28 -0.25 0.79 0.54 0.01 0.00 0.00 175.29 176.09 3dkx s VAL 89 N -2.18 4.80 -0.19 1.09 0.11 -1.26 -1.04 120.40 121.73 3dkx s VAL 89 Ca 0.64 1.66 -0.29 0.00 -2.93 0.00 0.00 61.98 61.05 3dkx s VAL 89 Cb -0.12 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 3dkx s VAL 89 CO 0.19 0.32 1.03 -0.69 -3.33 0.00 0.00 175.10 172.62 3dkx s VAL 90 N 0.25 4.71 -2.55 2.04 1.01 0.45 -4.88 120.40 121.42 3dkx s VAL 90 Ca 0.40 2.03 0.23 0.00 0.00 0.00 0.00 61.98 64.64 3dkx s VAL 90 Cb -0.20 -4.31 0.39 0.00 0.00 0.00 0.00 36.38 32.26 3dkx s VAL 90 CO 0.23 -0.13 1.42 0.00 0.00 0.00 0.00 175.10 176.62 3dkx n LEU 91 N 5.94 2.96 -3.15 3.92 -0.00 -1.26 -4.70 117.00 120.71 3dkx n LEU 91 Ca 0.11 -1.21 0.04 0.00 -0.00 0.00 0.00 56.01 54.95 3dkx n LEU 91 Cb 0.47 -0.17 -0.00 0.00 -0.00 0.00 0.00 43.42 43.72 3dkx n LEU 91 CO 0.52 0.60 0.13 0.21 -0.00 0.00 0.00 177.39 178.85 3dkx s ASN 92 N -1.62 -1.55 0.26 1.45 3.84 -1.26 -5.04 114.94 111.01 3dkx s ASN 92 Ca 0.36 0.09 -0.04 0.00 0.21 0.00 0.00 52.86 53.47 3dkx s ASN 92 Cb 0.21 1.97 0.33 0.00 -0.55 0.00 0.00 41.25 43.22 3dkx s ASN 92 CO 0.30 -0.27 1.90 0.58 -2.79 0.00 0.00 177.10 176.82 3dkx h VAL 93 N 5.79 1.15 0.73 -5.21 2.07 -1.92 -0.64 116.25 118.23 3dkx h VAL 93 Ca -0.01 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3dkx h VAL 93 Cb 1.19 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3dkx h VAL 93 CO 0.13 0.22 -0.35 -0.08 0.02 0.00 0.00 177.57 177.51 3dkx h GLU 94 N 1.22 -0.95 -0.83 1.57 4.81 -1.96 0.14 114.58 118.58 3dkx h GLU 94 Ca 0.40 0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.90 3dkx h GLU 94 Cb 0.04 0.22 -0.14 0.00 0.63 0.00 0.00 28.75 29.49 3dkx h GLU 94 CO -0.13 -0.63 0.14 -0.97 -0.73 0.00 0.00 179.01 176.68 3dkx h ASN 95 N -1.13 -0.15 1.17 1.04 -1.24 -1.96 0.11 115.58 113.42 3dkx h ASN 95 Ca -0.10 0.20 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 3dkx h ASN 95 Cb 0.75 0.30 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 3dkx h ASN 95 CO 0.17 -0.16 -0.20 -0.03 -1.29 0.00 0.00 177.43 175.91 3dkx h MET 96 N 0.17 0.00 -0.15 6.67 4.05 -0.89 -1.16 114.93 123.61 3dkx h MET 96 Ca 0.49 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.77 3dkx h MET 96 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 3dkx h MET 96 CO -0.66 0.20 -0.47 -0.92 0.23 0.00 0.00 176.91 175.29 3dkx h TYR 97 N 0.00 0.77 -0.86 1.39 3.20 0.18 -2.98 116.97 118.67 3dkx h TYR 97 Ca -0.00 -0.31 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 3dkx h TYR 97 Cb 0.84 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 3dkx h TYR 97 CO 0.00 1.08 0.45 -0.07 -1.64 0.00 0.00 178.16 177.99 3dkx h LEU 98 N 0.24 1.10 -2.13 2.82 3.38 -1.12 -2.10 115.31 117.51 3dkx h LEU 98 Ca -0.02 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3dkx h LEU 98 Cb 1.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3dkx h LEU 98 CO 0.10 0.90 0.29 0.22 0.09 0.00 0.00 178.44 180.04 3dkx h TYR 99 N 1.22 0.00 -0.31 1.13 5.03 -1.06 -0.81 116.97 122.17 3dkx h TYR 99 Ca 0.30 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.65 3dkx h TYR 99 Cb 0.06 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3dkx h TYR 99 CO 0.01 0.00 0.21 -0.07 -1.32 0.00 0.00 178.16 176.99 3dkx h LEU 100 N 0.00 0.21 -3.10 2.82 3.38 -1.31 0.39 115.31 117.70 3dkx h LEU 100 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dkx h LEU 100 Cb 0.71 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dkx h LEU 100 CO -0.00 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.02 3dkx n THR 101 N -4.49 1.74 -3.87 0.22 -2.24 -0.54 -4.46 114.28 100.65 3dkx n THR 101 Ca 0.03 -1.53 -0.30 0.00 -2.27 0.00 0.00 64.05 59.98 3dkx n THR 101 Cb 0.21 0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.16 -2.34 -1.25 4.78 8.25 0.14 -2.38 115.22 122.25 3dkx n HIS 102 Ca 0.17 0.90 0.01 0.00 -0.26 0.00 0.00 57.72 58.54 3dkx n HIS 102 Cb 0.68 -4.03 0.22 0.00 1.12 0.00 0.00 29.99 27.98 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 -4.69 2.21 -3.19 -0.41 1.02 -0.42 -4.35 120.64 110.80 3dkx n GLU 103 Ca 0.04 -3.01 -0.22 0.00 -0.02 0.00 0.00 57.16 53.95 3dkx n GLU 103 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.33 5.95 0.34 1.62 1.04 -1.25 -4.83 113.70 114.24 3dkx s SER 104 Ca 0.43 0.19 0.03 0.00 0.48 0.00 0.00 55.95 57.08 3dkx s SER 104 Cb 0.37 -1.55 0.63 0.00 0.10 0.00 0.00 66.02 65.58 3dkx s SER 104 CO 0.03 -0.56 1.97 0.11 0.98 0.00 0.00 173.24 175.77 3dkx h LYS 105 N 0.59 0.87 0.00 4.02 1.57 -1.94 0.52 116.57 122.19 3dkx h LYS 105 Ca -0.47 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.12 3dkx h LYS 105 Cb 1.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3dkx h LYS 105 CO 0.57 0.57 -0.68 0.38 -0.57 0.00 0.00 179.45 179.72 3dkx h ASP 106 N 0.89 0.00 0.05 0.86 2.03 -1.97 -2.57 116.42 115.71 3dkx h ASP 106 Ca 0.30 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.42 3dkx h ASP 106 Cb 0.09 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.61 3dkx h ASP 106 CO -0.09 0.68 -0.75 0.00 -1.03 0.00 0.00 179.24 178.05 3dkx h ALA 107 N 1.32 0.02 -0.23 4.15 0.00 -1.62 -2.96 119.26 119.94 3dkx h ALA 107 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.30 3dkx h ALA 107 Cb 1.48 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3dkx h ALA 107 CO 0.09 0.41 0.05 0.82 0.00 0.00 0.00 179.25 180.62 3dkx h ILE 108 N -0.12 0.91 -0.28 0.00 2.04 -0.03 0.10 117.51 120.13 3dkx h ILE 108 Ca -0.11 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3dkx h ILE 108 Cb 1.48 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3dkx h ILE 108 CO 0.14 0.03 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3dkx h ALA 109 N 1.16 1.80 -0.03 1.87 0.00 -1.57 0.96 119.26 123.44 3dkx h ALA 109 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dkx h ALA 109 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dkx h ALA 109 CO -0.13 0.19 0.00 1.63 0.00 0.00 0.00 179.25 180.94 3dkx n LYS 110 N -4.49 1.52 -2.28 0.00 5.02 -0.60 -4.92 118.16 112.40 3dkx n LYS 110 Ca 0.01 -0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 55.34 3dkx n LYS 110 Cb 0.07 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3dkx n LYS 110 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dkx n LYS 111 N -0.07 -1.63 -1.29 1.97 4.81 0.33 -4.95 118.16 117.34 3dkx n LYS 111 Ca 0.19 1.04 -0.33 0.00 -0.87 0.00 0.00 58.31 58.34 3dkx n LYS 111 Cb 0.29 -5.65 0.10 0.00 0.02 0.00 0.00 35.03 29.79 3dkx n LYS 111 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3dkx s LYS 112 N -4.85 1.99 0.17 1.64 1.02 -1.10 -4.91 119.74 113.69 3dkx s LYS 112 Ca 0.00 1.58 -0.32 0.00 0.02 0.00 0.00 55.97 57.25 3dkx s LYS 112 Cb 0.00 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.37 3dkx s LYS 112 CO 0.00 -1.91 1.59 -1.58 -0.92 0.00 0.00 175.35 172.53 3dkx s HIS 113 N -2.32 3.03 -0.14 3.18 5.65 -1.26 -4.92 115.29 118.52 3dkx s HIS 113 Ca 0.70 0.58 -0.21 0.00 0.25 0.00 0.00 55.06 56.38 3dkx s HIS 113 Cb -0.25 -3.96 -0.03 0.00 -1.18 0.00 0.00 32.58 27.16 3dkx s HIS 113 CO 0.49 -3.55 0.60 0.08 -0.65 0.00 0.00 174.74 171.71 3dkx s VAL 114 N 1.18 5.08 0.55 0.89 1.01 -1.26 -4.54 120.40 123.31 3dkx s VAL 114 Ca 0.71 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.95 3dkx s VAL 114 Cb -0.44 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.09 3dkx s VAL 114 CO 0.31 0.22 0.72 -1.22 0.00 0.00 0.00 175.10 175.13 3dkx n TYR 115 N 4.25 -2.10 -3.41 5.22 4.02 -1.00 -5.04 117.16 119.10 3dkx n TYR 115 Ca -0.03 -2.06 -0.38 0.00 -0.01 0.00 0.00 57.90 55.42 3dkx n TYR 115 Cb 0.51 -0.52 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 3dkx n TYR 115 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3dkx s ASP 116 N -4.40 6.37 0.31 7.72 -1.08 -1.26 -4.89 116.67 119.44 3dkx s ASP 116 Ca 0.55 0.43 0.08 0.00 -0.52 0.00 0.00 52.55 53.09 3dkx s ASP 116 Cb -0.04 -2.22 0.85 0.00 -1.46 0.00 0.00 42.92 40.05 3dkx s ASP 116 CO 0.35 -0.09 1.69 0.11 0.52 0.00 0.00 175.17 177.75 3dkx h LYS 117 N 7.56 0.40 0.00 4.34 1.57 -1.98 0.19 116.57 128.65 3dkx h LYS 117 Ca -0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3dkx h LYS 117 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3dkx h LYS 117 CO 0.70 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 3dkx n ALA 118 N -2.42 1.39 1.14 3.86 0.00 -1.26 -1.44 120.51 121.77 3dkx n ALA 118 Ca 0.25 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3dkx n ALA 118 Cb 0.75 -1.29 0.26 0.00 0.00 0.00 0.00 19.45 19.17 3dkx n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dkx n ASP 119 N -2.04 1.06 -4.77 0.00 8.00 0.65 -4.90 116.55 114.56 3dkx n ASP 119 Ca 0.01 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.25 3dkx n ASP 119 Cb 0.13 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.63 2.86 -0.25 0.53 1.01 -0.52 -3.76 121.20 118.44 3dkx s ILE 120 Ca 0.20 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.64 3dkx s ILE 120 Cb 0.18 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3dkx s ILE 120 CO 0.59 0.21 0.08 -0.54 0.00 0.00 0.00 174.94 175.28 3dkx s LYS 121 N -1.70 3.71 -0.39 2.79 1.02 -0.02 -4.96 119.74 120.19 3dkx s LYS 121 Ca 0.48 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 3dkx s LYS 121 Cb -0.38 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3dkx s LYS 121 CO 0.51 -0.15 0.31 -0.51 -0.92 0.00 0.00 175.35 174.59 3dkx s LEU 122 N 1.54 4.84 -0.05 3.17 1.43 -1.26 -1.41 118.68 126.94 3dkx s LEU 122 Ca 0.06 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3dkx s LEU 122 Cb -0.15 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3dkx s LEU 122 CO 0.04 -0.40 0.30 -0.63 0.23 0.00 0.00 176.35 175.89 3dkx s ILE 123 N 1.81 5.23 -1.38 -0.59 -1.09 -0.24 -4.61 121.20 120.32 3dkx s ILE 123 Ca 0.07 0.58 -0.07 0.00 -2.23 0.00 0.00 60.65 59.00 3dkx s ILE 123 Cb -0.18 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 3dkx s ILE 123 CO 0.11 0.59 0.97 0.59 -1.23 0.00 0.00 174.94 175.97 3dkx n ASN 124 N 1.87 -3.91 -1.14 3.58 3.02 -1.26 -1.86 115.26 115.57 3dkx n ASN 124 Ca -0.16 -0.70 -0.14 0.00 -0.03 0.00 0.00 54.58 53.54 3dkx n ASN 124 Cb 0.53 -4.41 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 3dkx n ASN 124 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dkx n ASN 125 N -2.98 -4.60 -4.65 6.41 5.03 -1.26 -4.55 115.26 108.65 3dkx n ASN 125 Ca -0.10 0.29 -0.45 0.00 0.87 0.00 0.00 54.58 55.18 3dkx n ASN 125 Cb 0.59 -3.39 -0.03 0.00 -1.02 0.00 0.00 39.78 35.94 3dkx n ASN 125 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3dkx n PHE 126 N -2.81 1.98 -3.72 3.10 -0.00 -0.96 -4.98 117.46 110.07 3dkx n PHE 126 Ca -0.14 0.49 -0.12 0.00 -0.00 0.00 0.00 57.45 57.68 3dkx n PHE 126 Cb 0.48 -2.42 -0.13 0.00 -0.00 0.00 0.00 39.48 37.41 3dkx n PHE 126 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3dkx s ASP 127 N 0.19 -0.32 0.30 -2.13 -1.08 -1.26 -4.86 116.67 107.51 3dkx s ASP 127 Ca 0.68 0.61 0.07 0.00 -0.52 0.00 0.00 52.55 53.39 3dkx s ASP 127 Cb -0.69 0.49 0.46 0.00 -1.46 0.00 0.00 42.92 41.73 3dkx s ASP 127 CO 0.51 -0.17 1.70 -0.29 0.52 0.00 0.00 175.17 177.44 3dkx h ILE 128 N 5.80 1.31 -0.68 4.11 6.09 -2.01 -2.49 117.51 129.64 3dkx h ILE 128 Ca -0.40 -1.52 0.20 0.00 -1.37 0.00 0.00 64.86 61.77 3dkx h ILE 128 Cb 1.16 1.69 -0.03 0.00 0.47 0.00 0.00 36.82 40.12 3dkx h ILE 128 CO 0.36 0.45 0.60 0.44 -3.07 0.00 0.00 178.15 176.93 3dkx h ASP 129 N 0.19 0.00 0.44 2.19 3.32 -1.95 0.57 116.42 121.18 3dkx h ASP 129 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dkx h ASP 129 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3dkx h ASP 129 CO 0.06 0.00 -0.23 -2.11 -1.72 0.00 0.00 179.24 175.25 3dkx n ARG 130 N -3.91 0.48 -0.00 3.56 1.85 -0.94 -3.86 116.66 113.84 3dkx n ARG 130 Ca 0.14 -0.21 0.05 0.00 -1.00 0.00 0.00 57.85 56.83 3dkx n ARG 130 Cb 0.85 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.70 3dkx n ARG 130 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dkx n TYR 131 N -1.07 0.00 -3.28 2.89 4.01 0.18 -4.83 117.16 115.05 3dkx n TYR 131 Ca 0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 3dkx n TYR 131 Cb 0.32 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 3dkx n TYR 131 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dkx s VAL 132 N -2.25 5.05 0.09 -0.72 -7.23 -1.12 -4.89 120.40 109.33 3dkx s VAL 132 Ca 0.02 0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.48 3dkx s VAL 132 Cb 0.08 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 3dkx s VAL 132 CO 0.46 -0.19 -0.11 0.42 -0.31 0.00 0.00 175.10 175.37 3dkx s THR 133 N 2.30 1.01 0.48 5.32 -4.23 -1.26 -4.95 115.64 114.30 3dkx s THR 133 Ca 0.17 -1.53 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 3dkx s THR 133 Cb -0.16 -1.26 -0.07 0.00 1.34 0.00 0.00 72.50 72.35 3dkx s THR 133 CO 0.13 -0.45 1.32 -0.76 -0.54 0.00 0.00 174.62 174.32 3dkx s LEU 134 N -2.22 4.02 1.06 4.79 1.43 -1.26 -5.02 118.68 121.49 3dkx s LEU 134 Ca 0.03 2.68 -0.16 0.00 -1.03 0.00 0.00 54.13 55.65 3dkx s LEU 134 Cb -0.05 -4.11 0.22 0.00 0.03 0.00 0.00 46.19 42.28 3dkx s LEU 134 CO 0.01 -1.19 1.13 -1.81 0.23 0.00 0.00 176.35 174.73 3dkx s ASP 135 N -0.89 2.13 0.17 2.29 1.01 -1.26 -4.86 116.67 115.26 3dkx s ASP 135 Ca 0.64 0.81 -0.14 0.00 0.71 0.00 0.00 52.55 54.56 3dkx s ASP 135 Cb -0.38 -1.21 0.09 0.00 1.01 0.00 0.00 42.92 42.43 3dkx s ASP 135 CO 0.47 -3.39 1.78 0.58 0.21 0.00 0.00 175.17 174.82 3dkx h VAL 136 N -2.08 0.97 -0.08 -1.27 2.07 -1.99 -1.70 116.25 112.17 3dkx h VAL 136 Ca -0.49 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3dkx h VAL 136 Cb 1.31 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3dkx h VAL 136 CO 0.47 0.08 -0.54 -0.33 0.02 0.00 0.00 177.57 177.27 3dkx h GLU 137 N 0.45 0.23 -0.80 1.57 4.39 -1.99 -0.88 114.58 117.55 3dkx h GLU 137 Ca 0.19 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 3dkx h GLU 137 Cb 0.10 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3dkx h GLU 137 CO -0.14 0.71 0.31 0.93 -1.16 0.00 0.00 179.01 179.67 3dkx h GLU 138 N 0.18 1.20 -0.09 2.33 5.08 -1.88 -0.37 114.58 121.04 3dkx h GLU 138 Ca 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3dkx h GLU 138 Cb 1.01 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3dkx h GLU 138 CO 0.08 0.97 0.03 -0.22 -1.00 0.00 0.00 179.01 178.87 3dkx h LYS 139 N 1.17 0.13 0.03 2.33 3.64 -0.98 0.21 116.57 123.09 3dkx h LYS 139 Ca 0.27 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3dkx h LYS 139 Cb 0.23 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3dkx h LYS 139 CO -0.02 0.28 -0.19 1.15 -2.27 0.00 0.00 179.45 178.40 3dkx h THR 140 N -0.04 0.55 -0.06 1.00 2.02 -1.03 0.21 112.91 115.57 3dkx h THR 140 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3dkx h THR 140 Cb 0.20 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 3dkx h THR 140 CO -0.00 0.00 -0.49 -0.08 0.37 0.00 0.00 175.52 175.32 3dkx h GLU 141 N -0.32 -0.58 -0.80 6.66 4.81 -0.82 -0.70 114.58 122.82 3dkx h GLU 141 Ca 0.05 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3dkx h GLU 141 Cb 0.38 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 3dkx h GLU 141 CO -0.16 -0.38 0.53 -0.07 -0.73 0.00 0.00 179.01 178.20 3dkx h LEU 142 N -0.60 0.84 -0.44 1.64 3.38 -0.39 -1.99 115.31 117.75 3dkx h LEU 142 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dkx h LEU 142 Cb 0.68 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3dkx h LEU 142 CO -0.38 0.57 0.20 0.15 0.09 0.00 0.00 178.44 179.07 3dkx h PHE 143 N 0.97 0.64 -0.55 1.13 3.57 0.22 0.58 116.94 123.50 3dkx h PHE 143 Ca 0.33 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.80 3dkx h PHE 143 Cb 0.08 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3dkx h PHE 143 CO -0.00 0.53 0.37 -0.91 -2.23 0.00 0.00 178.31 176.07 3dkx h ASN 144 N 0.57 0.63 -0.27 0.41 -0.26 -0.71 -0.45 115.58 115.50 3dkx h ASN 144 Ca 0.15 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 3dkx h ASN 144 Cb 0.14 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3dkx h ASN 144 CO -0.02 0.45 0.13 0.58 -1.06 0.00 0.00 177.43 177.51 3dkx h VAL 145 N 0.74 1.15 -0.98 2.81 2.07 -0.58 -1.53 116.25 119.92 3dkx h VAL 145 Ca 0.21 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.39 3dkx h VAL 145 Cb -0.07 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3dkx h VAL 145 CO -0.05 0.15 0.63 0.58 0.02 0.00 0.00 177.57 178.90 3dkx h VAL 146 N 0.30 1.01 -0.30 2.57 2.07 -0.08 -0.10 116.25 121.72 3dkx h VAL 146 Ca 0.09 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3dkx h VAL 146 Cb 0.12 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 3dkx h VAL 146 CO -0.01 0.19 0.11 0.58 0.02 0.00 0.00 177.57 178.46 3dkx h VAL 147 N 1.06 1.19 -0.26 2.57 2.07 -0.65 -1.18 116.25 121.04 3dkx h VAL 147 Ca 0.45 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3dkx h VAL 147 Cb 0.31 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3dkx h VAL 147 CO -0.20 0.20 -0.24 0.77 0.02 0.00 0.00 177.57 178.11 3dkx h SER 148 N 0.33 0.50 -0.16 0.57 4.64 -0.26 -1.47 113.55 117.69 3dkx h SER 148 Ca 0.10 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3dkx h SER 148 Cb 0.20 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3dkx h SER 148 CO -0.01 0.74 0.01 -0.07 -0.87 0.00 0.00 176.83 176.63 3dkx h LEU 149 N 0.44 -0.05 -1.14 5.97 3.38 -0.85 0.25 115.31 123.31 3dkx h LEU 149 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dkx h LEU 149 Cb 0.66 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3dkx h LEU 149 CO 0.05 -0.00 0.23 0.40 0.09 0.00 0.00 178.44 179.21 3dkx h ILE 150 N 0.06 1.21 -0.02 1.22 2.04 -0.52 -0.89 117.51 120.60 3dkx h ILE 150 Ca 0.07 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3dkx h ILE 150 Cb 0.09 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3dkx h ILE 150 CO -0.12 0.26 -0.08 0.03 0.00 0.00 0.00 178.15 178.24 3dkx h ARG 151 N 0.82 0.09 -0.96 2.37 3.08 -1.09 -1.06 114.38 117.63 3dkx h ARG 151 Ca 0.20 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.33 3dkx h ARG 151 Cb 0.16 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 3dkx h ARG 151 CO -0.02 0.71 0.61 0.00 -1.07 0.00 0.00 179.97 180.20 3dkx h ALA 152 N 0.38 1.70 -0.30 0.04 0.00 -0.13 -2.36 119.26 118.58 3dkx h ALA 152 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dkx h ALA 152 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dkx h ALA 152 CO 0.02 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3dkx n TYR 153 N -4.62 0.40 -4.01 0.00 4.01 -0.37 -4.99 117.16 107.58 3dkx n TYR 153 Ca 0.19 -0.42 -0.40 0.00 -0.16 0.00 0.00 57.90 57.12 3dkx n TYR 153 Cb 0.46 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.57 -3.29 -2.53 -0.72 -1.04 -0.45 -4.85 114.28 101.97 3dkx n THR 154 Ca 0.11 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.05 61.02 3dkx n THR 154 Cb 0.41 -2.65 -0.02 0.00 -1.82 0.00 0.00 70.33 66.25 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 -7.19 3.83 0.06 -4.42 1.43 -0.93 -4.92 118.68 106.54 3dkx s LEU 155 Ca 0.39 0.96 0.28 0.00 -1.03 0.00 0.00 54.13 54.73 3dkx s LEU 155 Cb -0.19 -3.54 1.11 0.00 0.03 0.00 0.00 46.19 43.59 3dkx s LEU 155 CO 0.94 -1.07 1.88 0.00 0.23 0.00 0.00 176.35 178.33 3dkx n GLN 156 N 7.32 0.07 -3.83 1.70 6.02 -1.26 -4.66 117.38 122.75 3dkx n GLN 156 Ca 0.13 0.07 0.01 0.00 -0.01 0.00 0.00 57.00 57.20 3dkx n GLN 156 Cb 0.47 -1.58 0.01 0.00 1.02 0.00 0.00 30.24 30.16 3dkx n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dkx s ASN 157 N -3.41 -0.03 0.36 1.08 2.20 -1.26 -4.62 114.94 109.26 3dkx s ASN 157 Ca 0.13 -0.27 0.16 0.00 -0.94 0.00 0.00 52.86 51.94 3dkx s ASN 157 Cb 0.17 0.23 0.68 0.00 -2.00 0.00 0.00 41.25 40.33 3dkx s ASN 157 CO 0.54 -0.45 1.75 -0.29 -2.94 0.00 0.00 177.10 175.71 3dkx h ILE 158 N 2.00 1.06 0.10 0.54 2.10 -1.99 -1.75 117.51 119.57 3dkx h ILE 158 Ca -0.26 -1.53 -0.00 0.00 1.08 0.00 0.00 64.86 64.14 3dkx h ILE 158 Cb 1.20 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 3dkx h ILE 158 CO 0.31 0.40 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.47 3dkx h PHE 159 N 0.00 -0.12 -0.96 2.19 0.05 -1.98 0.21 116.94 116.32 3dkx h PHE 159 Ca -0.00 -0.00 0.09 0.00 3.82 0.00 0.00 57.97 61.87 3dkx h PHE 159 Cb 0.85 0.04 -0.07 0.00 2.00 0.00 0.00 35.95 38.77 3dkx h PHE 159 CO 0.00 0.02 0.60 -0.44 -0.18 0.00 0.00 178.31 178.31 3dkx h ASP 160 N -0.24 0.92 -0.38 2.17 5.19 -1.86 0.23 116.42 122.46 3dkx h ASP 160 Ca -0.01 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 3dkx h ASP 160 Cb 0.19 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3dkx h ASP 160 CO 0.02 0.55 0.06 0.25 -3.12 0.00 0.00 179.24 177.00 3dkx h LEU 161 N 1.03 0.59 -0.18 1.55 5.85 -1.09 -1.21 115.31 121.85 3dkx h LEU 161 Ca 0.44 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3dkx h LEU 161 Cb 0.31 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3dkx h LEU 161 CO -0.22 0.70 0.10 1.88 -0.34 0.00 0.00 178.44 180.56 3dkx h TYR 162 N 0.47 0.19 -0.29 1.25 0.05 0.94 -1.00 116.97 118.58 3dkx h TYR 162 Ca 0.11 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.93 3dkx h TYR 162 Cb 0.36 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 3dkx h TYR 162 CO 0.02 0.11 0.10 -0.44 -1.05 0.00 0.00 178.16 176.91 3dkx h ASP 163 N 0.21 0.11 -0.65 3.88 3.45 -0.51 -0.06 116.42 122.85 3dkx h ASP 163 Ca 0.07 0.03 0.10 0.00 0.43 0.00 0.00 57.03 57.66 3dkx h ASP 163 Cb 0.00 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.75 3dkx h ASP 163 CO -0.04 0.10 0.43 0.15 -1.57 0.00 0.00 179.24 178.31 3dkx h PHE 164 N 0.23 0.52 -0.14 4.55 3.04 -0.80 -1.97 116.94 122.37 3dkx h PHE 164 Ca 0.13 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.90 3dkx h PHE 164 Cb 0.10 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3dkx h PHE 164 CO -0.13 0.25 -0.71 0.82 -2.02 0.00 0.00 178.31 176.52 3dkx h ILE 165 N 0.49 1.32 -0.70 1.41 1.08 0.28 -0.41 117.51 120.97 3dkx h ILE 165 Ca 0.30 -1.99 0.12 0.00 -0.39 0.00 0.00 64.86 62.90 3dkx h ILE 165 Cb 0.53 1.97 -0.08 0.00 -3.07 0.00 0.00 36.82 36.16 3dkx h ILE 165 CO -0.09 0.62 0.28 0.44 -0.69 0.00 0.00 178.15 178.71 3dkx h ASP 166 N 0.43 0.29 0.20 1.72 3.45 -0.36 0.99 116.42 123.15 3dkx h ASP 166 Ca -0.03 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 3dkx h ASP 166 Cb 1.30 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3dkx h ASP 166 CO 0.14 0.14 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.52 3dkx h GLU 167 N 0.46 -0.25 -0.21 3.56 5.08 -1.31 -3.41 114.58 118.50 3dkx h GLU 167 Ca 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3dkx h GLU 167 Cb 0.50 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3dkx h GLU 167 CO -0.35 -0.17 0.00 0.09 -1.00 0.00 0.00 179.01 177.58 3dkx n ASN 168 N -4.83 2.95 -0.32 1.42 4.13 -0.18 -4.67 115.26 113.76 3dkx n ASN 168 Ca -0.03 -1.87 0.11 0.00 1.68 0.00 0.00 54.58 54.46 3dkx n ASN 168 Cb 0.10 -0.13 0.23 0.00 -1.54 0.00 0.00 39.78 38.45 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 3.76 1.07 1.43 7.41 0.00 -0.88 -1.59 103.07 114.27 3dkx h GLY 169 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 3dkx h GLY 169 CO 0.00 -0.43 -0.02 0.83 0.00 0.00 0.00 176.54 176.93 3dkx h GLU 170 N 0.04 0.69 -0.93 4.80 5.08 -1.81 -0.15 114.58 122.31 3dkx h GLU 170 Ca 0.53 -0.18 0.17 0.00 -1.00 0.00 0.00 59.36 58.88 3dkx h GLU 170 Cb 1.02 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.08 3dkx h GLU 170 CO -0.86 0.72 0.51 1.15 -1.00 0.00 0.00 179.01 179.54 3dkx h THR 171 N 0.65 0.70 -0.22 1.13 2.02 -1.65 -2.47 112.91 113.07 3dkx h THR 171 Ca 0.13 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3dkx h THR 171 Cb 0.43 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3dkx h THR 171 CO 0.02 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 3dkx n TYR 172 N -4.84 0.27 -1.31 3.16 4.02 -0.84 -4.96 117.16 112.67 3dkx n TYR 172 Ca 0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3dkx n TYR 172 Cb 0.52 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 1.21 0.46 3.54 2.72 0.00 -0.73 -5.05 105.19 107.34 3dkx n GLY 173 Ca 0.15 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 2.88 0.24 0.99 1.43 -0.15 -5.00 118.68 119.07 3dkx s LEU 174 Ca 0.00 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3dkx s LEU 174 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3dkx s LEU 174 CO 0.00 0.16 0.09 0.42 0.23 0.00 0.00 176.35 177.25 3dkx s THR 175 N -1.29 0.48 0.07 5.49 -4.23 -1.26 -4.06 115.64 110.83 3dkx s THR 175 Ca 0.21 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 3dkx s THR 175 Cb -0.10 -2.55 -0.13 0.00 1.34 0.00 0.00 72.50 71.06 3dkx s THR 175 CO 0.12 -0.06 1.42 0.40 -0.54 0.00 0.00 174.62 175.97 3dkx h ILE 176 N 2.46 0.00 -0.48 2.99 1.08 -1.94 0.12 117.51 121.75 3dkx h ILE 176 Ca -0.38 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.23 3dkx h ILE 176 Cb 1.24 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 3dkx h ILE 176 CO 0.60 0.00 0.34 0.78 -0.69 0.00 0.00 178.15 179.18 3dkx h ASN 177 N -0.71 0.02 0.02 1.72 2.35 -1.99 -1.36 115.58 115.63 3dkx h ASN 177 Ca -0.04 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.48 3dkx h ASN 177 Cb 0.64 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.03 3dkx h ASN 177 CO -0.10 0.01 -0.93 0.25 -1.65 0.00 0.00 177.43 175.01 3dkx h LEU 178 N 0.03 0.78 -0.32 1.61 5.85 -1.83 -1.80 115.31 119.62 3dkx h LEU 178 Ca 0.23 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.24 3dkx h LEU 178 Cb 0.87 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3dkx h LEU 178 CO -0.01 1.45 0.02 0.58 -0.34 0.00 0.00 178.44 180.14 3dkx h VAL 179 N 0.20 0.79 -0.97 1.05 2.07 -0.03 0.58 116.25 119.93 3dkx h VAL 179 Ca -0.12 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.52 3dkx h VAL 179 Cb 1.61 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.94 3dkx h VAL 179 CO 0.18 0.02 0.58 0.78 0.02 0.00 0.00 177.57 179.16 3dkx h ASN 180 N 0.12 0.78 0.75 0.57 2.35 -1.16 0.22 115.58 119.20 3dkx h ASN 180 Ca 0.15 0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 3dkx h ASN 180 Cb 0.20 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3dkx h ASN 180 CO -0.24 0.33 -0.70 -0.08 -1.65 0.00 0.00 177.43 175.09 3dkx h GLU 181 N 0.81 0.00 0.03 0.81 4.81 -0.62 -2.76 114.58 117.66 3dkx h GLU 181 Ca 0.53 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.66 3dkx h GLU 181 Cb 0.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.11 3dkx h GLU 181 CO -0.34 0.70 -0.40 0.28 -0.73 0.00 0.00 179.01 178.51 3dkx h VAL 182 N 0.00 1.55 -0.00 0.32 2.07 0.66 -3.27 116.25 117.57 3dkx h VAL 182 Ca -0.01 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3dkx h VAL 182 Cb 1.26 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 3dkx h VAL 182 CO 0.09 0.59 -0.05 2.30 0.02 0.00 0.00 177.57 180.53 3dkx n ILE 183 N -4.39 0.00 -1.65 4.57 -5.35 0.61 -4.85 119.36 108.31 3dkx n ILE 183 Ca -0.11 -0.08 -0.42 0.00 -0.27 0.00 0.00 62.75 61.87 3dkx n ILE 183 Cb 0.60 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 -0.73 0.68 -0.95 -1.28 0.00 -1.04 -1.38 120.51 115.80 3dkx n ALA 184 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3dkx n ALA 184 Cb 0.24 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 0.99 0.42 0.76 0.00 0.00 -1.26 -4.80 105.19 101.29 3dkx n GLY 185 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.73 0.35 0.18 1.61 5.02 -0.48 -4.83 118.16 118.28 3dkx n LYS 186 Ca 0.00 -1.78 0.04 0.00 -2.02 0.00 0.00 58.31 54.56 3dkx n LYS 186 Cb 0.12 -0.61 0.34 0.00 -0.02 0.00 0.00 35.03 34.87 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 5.36 1.02 -0.85 -0.18 1.35 -1.87 -0.95 112.91 116.79 3dkx h THR 187 Ca -0.07 -1.52 0.03 0.00 -0.55 0.00 0.00 66.41 64.29 3dkx h THR 187 Cb 1.46 1.89 -0.05 0.00 -1.73 0.00 0.00 68.15 69.72 3dkx h THR 187 CO 0.03 0.39 0.55 1.23 -0.25 0.00 0.00 175.52 177.48 3dkx h GLY 188 N 1.79 1.23 0.96 5.82 0.00 -1.93 0.43 103.07 111.37 3dkx h GLY 188 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3dkx h GLY 188 CO 0.05 0.38 -0.22 -2.75 0.00 0.00 0.00 176.54 174.00 3dkx h PHE 189 N 1.09 0.82 -0.82 5.60 3.04 -1.63 -2.42 116.94 122.62 3dkx h PHE 189 Ca 0.33 -0.23 0.10 0.00 3.98 0.00 0.00 57.97 62.15 3dkx h PHE 189 Cb -0.03 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.22 3dkx h PHE 189 CO -0.02 0.95 0.47 0.52 -2.02 0.00 0.00 178.31 178.21 3dkx h MET 190 N 0.46 0.75 -0.14 1.11 2.86 -0.77 -1.33 114.93 117.86 3dkx h MET 190 Ca 0.06 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 3dkx h MET 190 Cb 0.78 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3dkx h MET 190 CO 0.06 0.50 -0.34 -0.22 1.06 0.00 0.00 176.91 177.96 3dkx h LYS 191 N 0.78 0.29 -0.22 1.72 1.63 -0.49 -0.61 116.57 119.68 3dkx h LYS 191 Ca 0.40 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3dkx h LYS 191 Cb 0.38 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3dkx h LYS 191 CO -0.25 0.61 0.14 -0.07 -3.45 0.00 0.00 179.45 176.43 3dkx h LEU 192 N 0.25 0.25 0.48 5.20 3.38 -0.82 -1.56 115.31 122.50 3dkx h LEU 192 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dkx h LEU 192 Cb 0.73 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3dkx h LEU 192 CO 0.06 0.18 -0.23 -0.07 0.09 0.00 0.00 178.44 178.47 3dkx h LEU 193 N 0.29 -0.54 -0.95 1.67 3.38 -0.48 -1.10 115.31 117.57 3dkx h LEU 193 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dkx h LEU 193 Cb -0.03 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3dkx h LEU 193 CO -0.02 -0.37 0.59 -0.26 0.09 0.00 0.00 178.44 178.48 3dkx h PHE 194 N -0.67 1.24 -0.56 1.13 0.04 -1.18 0.11 116.94 117.05 3dkx h PHE 194 Ca -0.07 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.81 3dkx h PHE 194 Cb 0.51 -0.41 -0.08 0.00 2.20 0.00 0.00 35.95 38.17 3dkx h PHE 194 CO -0.04 0.81 0.13 -0.44 -0.60 0.00 0.00 178.31 178.17 3dkx h ASP 195 N 1.31 0.03 0.17 2.17 3.32 -1.15 0.39 116.42 122.65 3dkx h ASP 195 Ca 0.34 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 3dkx h ASP 195 Cb -0.09 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3dkx h ASP 195 CO -0.07 0.03 -0.08 1.23 -1.72 0.00 0.00 179.24 178.63 3dkx h GLY 196 N 0.27 -0.24 0.57 2.75 0.00 0.15 -1.84 103.07 104.74 3dkx h GLY 196 Ca 0.29 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.77 3dkx h GLY 196 CO -0.36 -0.09 0.17 0.00 0.00 0.00 0.00 176.54 176.26 3dkx h ALA 197 N 0.51 0.56 0.01 3.60 0.00 -0.45 -1.27 119.26 122.23 3dkx h ALA 197 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dkx h ALA 197 Cb 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3dkx h ALA 197 CO 0.04 -0.22 -0.21 -0.92 0.00 0.00 0.00 179.25 177.94 3dkx h TYR 198 N 0.34 -0.56 0.00 0.00 3.20 0.16 -1.40 116.97 118.71 3dkx h TYR 198 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3dkx h TYR 198 Cb 0.22 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3dkx h TYR 198 CO -0.16 -0.30 -0.07 -0.56 -1.64 0.00 0.00 178.16 175.44 3dkx h GLN 199 N -0.34 0.00 0.02 1.82 3.07 -1.09 -2.92 115.11 115.67 3dkx h GLN 199 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.79 3dkx h GLN 199 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 3dkx h GLN 199 CO -0.19 0.00 -0.01 -0.09 0.09 0.00 0.00 178.83 178.63 3dkx h ARG 200 N 0.00 -0.03 -0.03 0.06 9.65 -0.90 -2.97 114.38 120.15 3dkx h ARG 200 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3dkx h ARG 200 Cb 0.75 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.34 3dkx h ARG 200 CO 0.00 0.40 0.10 0.66 2.80 0.00 0.00 179.97 183.93 3dkx h SER 201 N -0.47 0.00 0.50 -3.80 4.64 -1.08 0.67 113.55 114.01 3dkx h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dkx h SER 201 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3dkx h SER 201 CO 0.01 0.00 -0.31 0.29 -0.87 0.00 0.00 176.83 175.94 3dkx n LYS 202 N -3.26 0.29 0.00 4.77 5.02 -1.13 -3.57 118.16 120.27 3dkx n LYS 202 Ca -0.02 -0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.24 3dkx n LYS 202 Cb 0.18 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3dkx n LYS 202 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3dkx n ARG 203 N -1.23 0.11 0.00 1.97 0.63 0.22 -5.10 116.66 113.26 3dkx n ARG 203 Ca 0.09 -0.02 0.15 0.00 -0.92 0.00 0.00 57.85 57.15 3dkx n ARG 203 Cb 0.33 -1.52 0.80 0.00 0.45 0.00 0.00 32.46 32.52 3dkx n ARG 203 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53