#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk s SER 2 N 0.00 4.17 -0.51 1.61 0.15 -1.26 -5.05 113.70 112.81 2dhk s SER 2 Ca 0.00 -1.62 0.03 0.00 0.70 0.00 0.00 55.95 55.07 2dhk s SER 2 Cb 0.00 -1.20 0.14 0.00 -1.71 0.00 0.00 66.02 63.25 2dhk s SER 2 CO 0.00 -0.34 0.30 -0.94 1.20 0.00 0.00 173.24 173.46 2dhk s SER 3 N 1.33 3.85 0.00 5.45 1.04 -1.26 -5.03 113.70 119.08 2dhk s SER 3 Ca 0.04 -2.99 0.00 0.00 0.48 0.00 0.00 55.95 53.49 2dhk s SER 3 Cb -0.18 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2dhk s SER 3 CO -0.13 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2dhk n GLY 4 N 3.09 0.59 4.37 7.32 0.00 -1.26 -4.98 105.19 114.32 2dhk n GLY 4 Ca 0.11 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 2dhk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhk n SER 5 N 0.00 -1.21 -4.51 1.61 3.41 -1.26 -4.80 113.62 106.86 2dhk n SER 5 Ca 0.00 -1.20 -0.38 0.00 -0.26 0.00 0.00 58.87 57.03 2dhk n SER 5 Cb 0.00 -1.52 0.04 0.00 -0.26 0.00 0.00 64.21 62.47 2dhk n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dhk n SER 6 N -2.40 -0.47 -3.44 4.04 2.88 -1.26 -4.98 113.62 107.99 2dhk n SER 6 Ca 0.03 0.76 -0.27 0.00 -1.33 0.00 0.00 58.87 58.06 2dhk n SER 6 Cb 0.48 -1.24 -0.10 0.00 -0.75 0.00 0.00 64.21 62.59 2dhk n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dhk s GLY 7 N -1.20 1.30 -0.30 0.46 0.00 -1.26 -5.05 107.32 101.27 2dhk s GLY 7 Ca 0.71 -2.50 -0.05 0.00 0.00 0.00 0.00 44.72 42.88 2dhk s GLY 7 CO 0.52 2.04 0.77 0.54 0.00 0.00 0.00 173.10 176.96 2dhk s LYS 8 N 0.05 0.42 -0.05 2.90 1.02 -1.26 -5.15 119.74 117.67 2dhk s LYS 8 Ca 0.31 0.72 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 2dhk s LYS 8 Cb 0.00 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.66 2dhk s LYS 8 CO -0.17 -0.50 0.64 0.21 -0.92 0.00 0.00 175.35 174.61 2dhk s LYS 9 N 2.89 4.39 -0.34 1.68 2.20 -1.26 -5.04 119.74 124.26 2dhk s LYS 9 Ca 0.13 0.78 0.03 0.00 -0.36 0.00 0.00 55.97 56.54 2dhk s LYS 9 Cb -0.13 -3.41 0.10 0.00 -1.51 0.00 0.00 37.83 32.88 2dhk s LYS 9 CO -0.18 0.18 0.06 -1.17 -0.36 0.00 0.00 175.35 173.88 2dhk s LEU 10 N 0.44 4.73 0.08 5.43 2.96 -1.26 -5.08 118.68 125.97 2dhk s LEU 10 Ca 0.34 -2.06 -0.05 0.00 -0.22 0.00 0.00 54.13 52.14 2dhk s LEU 10 Cb -0.18 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2dhk s LEU 10 CO 0.17 -0.39 0.08 0.00 -1.32 0.00 0.00 176.35 174.89 2dhk n GLY 12 N 0.01 1.72 3.76 0.00 0.00 -0.46 -5.02 105.19 105.21 2dhk n GLY 12 Ca -0.14 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2dhk n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dhk s TYR 13 N -2.00 3.69 0.31 1.61 1.51 -1.26 -1.63 117.35 119.58 2dhk s TYR 13 Ca 0.00 1.21 0.03 0.00 -1.01 0.00 0.00 57.07 57.30 2dhk s TYR 13 Cb 0.00 -2.61 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2dhk s TYR 13 CO 0.00 0.36 0.08 -0.51 -1.11 0.00 0.00 175.55 174.38 2dhk s LEU 14 N -0.24 1.93 -0.18 -1.29 1.43 -0.50 -4.87 118.68 114.97 2dhk s LEU 14 Ca 0.31 -1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2dhk s LEU 14 Cb -0.18 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.83 2dhk s LEU 14 CO 0.17 -0.70 -0.01 -0.44 0.23 0.00 0.00 176.35 175.61 2dhk s SER 15 N -3.43 4.91 -0.25 2.29 0.01 -1.20 -1.88 113.70 114.15 2dhk s SER 15 Ca 0.36 -0.14 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 2dhk s SER 15 Cb 0.08 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 2dhk s SER 15 CO 0.15 0.12 0.34 -0.75 0.41 0.00 0.00 173.24 173.51 2dhk s LYS 16 N 0.66 4.05 -0.28 12.44 2.47 -0.26 -3.38 119.74 135.44 2dhk s LYS 16 Ca -0.01 0.02 -0.18 0.00 -1.56 0.00 0.00 55.97 54.24 2dhk s LYS 16 Cb -0.14 -3.62 -0.02 0.00 -1.46 0.00 0.00 37.83 32.59 2dhk s LYS 16 CO 0.02 -0.18 0.53 0.12 0.16 0.00 0.00 175.35 176.00 2dhk s PHE 17 N 1.77 3.25 0.00 4.03 5.36 -1.14 -0.67 117.98 130.58 2dhk s PHE 17 Ca 0.14 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2dhk s PHE 17 Cb -0.15 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 2dhk s PHE 17 CO 0.09 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 2dhk n GLY 18 N 4.45 -0.01 3.76 13.12 0.00 -1.24 -4.78 105.19 120.48 2dhk n GLY 18 Ca -0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2dhk n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhk s GLY 19 N 0.00 1.60 0.43 -0.02 0.00 -1.20 -4.86 107.32 103.26 2dhk s GLY 19 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 2dhk s GLY 19 CO 0.00 -0.00 0.77 0.54 0.00 0.00 0.00 173.10 174.41 2dhk s LYS 20 N -5.32 3.68 0.00 2.90 -0.14 -1.26 -4.59 119.74 115.01 2dhk s LYS 20 Ca 0.66 0.35 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 2dhk s LYS 20 Cb -0.13 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 2dhk s LYS 20 CO 0.54 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 2dhk n GLY 21 N -1.67 -0.20 0.16 -3.33 0.00 -1.26 -4.70 105.19 94.20 2dhk n GLY 21 Ca 0.02 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2dhk n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhk h PRO 22 N 3.75 0.02 -5.41 1.61 0.13 -2.06 -3.45 132.00 126.59 2dhk h PRO 22 Ca 0.00 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.54 2dhk h PRO 22 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2dhk h PRO 22 CO 0.00 0.50 -0.59 0.96 -0.23 0.00 0.00 178.00 178.65 2dhk s ILE 23 N -3.93 1.51 0.08 -3.56 -0.00 -1.26 -5.16 121.20 108.88 2dhk s ILE 23 Ca -0.02 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 58.70 2dhk s ILE 23 Cb 0.14 -2.78 -0.04 0.00 -0.00 0.00 0.00 42.46 39.78 2dhk s ILE 23 CO 0.75 0.00 -0.15 0.00 -0.00 0.00 0.00 174.94 175.53 2dhk s ARG 24 N -3.79 2.02 -0.07 0.37 3.03 -1.26 -4.53 118.95 114.71 2dhk s ARG 24 Ca 0.31 -1.04 -0.27 0.00 2.03 0.00 0.00 55.73 56.76 2dhk s ARG 24 Cb 0.08 -2.21 0.06 0.00 -1.03 0.00 0.00 34.95 31.85 2dhk s ARG 24 CO 0.15 0.52 0.60 0.20 -1.13 0.00 0.00 175.30 175.64 2dhk s GLY 25 N -1.86 -0.48 0.98 3.88 0.00 -1.26 -4.81 107.32 103.76 2dhk s GLY 25 Ca 0.18 1.19 -0.15 0.00 0.00 0.00 0.00 44.72 45.94 2dhk s GLY 25 CO 0.09 0.88 -0.03 0.79 0.00 0.00 0.00 173.10 174.82 2dhk n TRP 26 N 1.22 -2.56 -3.73 1.90 7.02 -1.26 -3.26 117.44 116.78 2dhk n TRP 26 Ca -0.19 0.16 -0.12 0.00 -1.02 0.00 0.00 57.50 56.33 2dhk n TRP 26 Cb 0.57 -1.65 -0.12 0.00 -2.42 0.00 0.00 31.31 27.68 2dhk n TRP 26 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2dhk s LYS 27 N -3.10 0.26 -0.47 -0.99 2.47 0.16 -4.86 119.74 113.21 2dhk s LYS 27 Ca 0.51 0.56 -0.27 0.00 -1.56 0.00 0.00 55.97 55.21 2dhk s LYS 27 Cb -0.19 -0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.08 2dhk s LYS 27 CO 0.72 -0.14 2.05 -1.12 0.16 0.00 0.00 175.35 177.01 2dhk s SER 28 N 1.12 5.17 -0.01 1.43 0.01 -1.26 -1.10 113.70 119.07 2dhk s SER 28 Ca -0.08 0.93 0.04 0.00 1.31 0.00 0.00 55.95 58.15 2dhk s SER 28 Cb -0.09 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2dhk s SER 28 CO -0.08 -2.34 -0.13 -0.13 0.41 0.00 0.00 173.24 170.97 2dhk s ARG 29 N 7.03 1.02 0.03 12.44 1.81 -0.78 -4.93 118.95 135.56 2dhk s ARG 29 Ca 0.82 -0.46 -0.24 0.00 -1.72 0.00 0.00 55.73 54.13 2dhk s ARG 29 Cb -0.18 -0.98 -0.05 0.00 -0.45 0.00 0.00 34.95 33.28 2dhk s ARG 29 CO 0.27 0.27 0.73 -0.46 -0.68 0.00 0.00 175.30 175.42 2dhk s TRP 30 N -0.32 3.72 -0.05 -0.53 -0.11 0.10 -1.40 118.94 120.34 2dhk s TRP 30 Ca 0.05 1.41 0.05 0.00 1.22 0.00 0.00 56.10 58.82 2dhk s TRP 30 Cb -0.05 -2.78 -0.00 0.00 -1.50 0.00 0.00 33.47 29.14 2dhk s TRP 30 CO -0.00 0.28 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.35 2dhk s PHE 31 N -0.04 1.94 -0.07 5.86 0.40 -0.64 0.01 117.98 125.44 2dhk s PHE 31 Ca 0.37 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 56.06 2dhk s PHE 31 Cb -0.20 -1.30 0.02 0.00 0.51 0.00 0.00 43.02 42.05 2dhk s PHE 31 CO 0.22 -0.20 0.17 -0.59 0.70 0.00 0.00 175.22 175.52 2dhk s PHE 32 N 0.02 -0.19 0.06 0.36 -0.12 0.11 -1.35 117.98 116.86 2dhk s PHE 32 Ca -0.05 0.48 -0.21 0.00 -0.05 0.00 0.00 56.93 57.10 2dhk s PHE 32 Cb -0.13 0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 42.24 2dhk s PHE 32 CO 0.03 -0.11 0.63 -0.47 -0.05 0.00 0.00 175.22 175.24 2dhk s TYR 33 N 0.37 3.78 -0.11 3.49 6.14 -0.86 -0.47 117.35 129.69 2dhk s TYR 33 Ca -0.02 1.32 -0.12 0.00 0.64 0.00 0.00 57.07 58.88 2dhk s TYR 33 Cb -0.04 -2.60 -0.05 0.00 0.42 0.00 0.00 41.96 39.69 2dhk s TYR 33 CO -0.02 0.47 0.28 0.34 0.64 0.00 0.00 175.55 177.27 2dhk s ASP 34 N -0.71 6.51 -0.37 4.32 2.15 0.59 -4.78 116.67 124.38 2dhk s ASP 34 Ca 0.32 0.61 0.07 0.00 0.43 0.00 0.00 52.55 53.98 2dhk s ASP 34 Cb -0.20 -2.17 0.66 0.00 -0.30 0.00 0.00 42.92 40.91 2dhk s ASP 34 CO 0.20 0.23 1.78 -1.84 -0.17 0.00 0.00 175.17 175.37 2dhk n GLU 35 N 2.77 2.71 -0.04 4.34 0.28 -1.26 -3.37 120.64 126.06 2dhk n GLU 35 Ca -0.14 -3.06 -0.08 0.00 -0.16 0.00 0.00 57.16 53.71 2dhk n GLU 35 Cb 0.53 -2.11 -0.03 0.00 1.43 0.00 0.00 31.44 31.26 2dhk n GLU 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dhk n ARG 36 N -0.78 0.17 -0.10 3.44 1.74 -1.26 -4.76 116.66 115.11 2dhk n ARG 36 Ca 0.47 0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.65 2dhk n ARG 36 Cb 1.43 -0.84 0.09 0.00 -1.02 0.00 0.00 32.46 32.12 2dhk n ARG 36 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2dhk n LYS 37 N -3.25 2.91 -3.69 5.56 5.02 -1.26 -4.99 118.16 118.46 2dhk n LYS 37 Ca -0.15 -1.82 -0.23 0.00 -2.02 0.00 0.00 58.31 54.09 2dhk n LYS 37 Cb 0.61 -1.16 0.05 0.00 -0.02 0.00 0.00 35.03 34.51 2dhk n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dhk s GLN 39 N -6.05 1.06 -0.43 0.00 -0.21 -1.22 -3.97 119.66 108.84 2dhk s GLN 39 Ca 0.22 -1.26 -0.17 0.00 0.02 0.00 0.00 55.36 54.17 2dhk s GLN 39 Cb -0.11 -0.98 0.03 0.00 1.00 0.00 0.00 33.01 32.95 2dhk s GLN 39 CO 0.79 0.19 0.44 -1.17 -2.12 0.00 0.00 175.29 173.43 2dhk s LEU 40 N -2.47 4.95 -0.17 2.90 2.96 -0.60 -0.30 118.68 125.95 2dhk s LEU 40 Ca 0.10 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.18 2dhk s LEU 40 Cb -0.05 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 2dhk s LEU 40 CO 0.04 -0.61 0.08 -0.31 -1.32 0.00 0.00 176.35 174.22 2dhk s TYR 41 N 2.12 3.30 -0.02 5.38 1.51 0.38 -1.27 117.35 128.76 2dhk s TYR 41 Ca 0.11 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 2dhk s TYR 41 Cb -0.18 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2dhk s TYR 41 CO 0.13 0.25 -0.09 1.52 -1.11 0.00 0.00 175.55 176.25 2dhk s TYR 42 N 0.15 0.96 0.31 2.71 1.13 -0.94 0.04 117.35 121.71 2dhk s TYR 42 Ca 0.06 -0.22 0.03 0.00 -1.41 0.00 0.00 57.07 55.52 2dhk s TYR 42 Cb -0.12 -0.66 -0.05 0.00 -1.10 0.00 0.00 41.96 40.03 2dhk s TYR 42 CO 0.00 -0.08 0.10 0.45 -2.51 0.00 0.00 175.55 173.52 2dhk s SER 43 N 0.08 1.83 0.51 -0.18 0.15 0.10 -1.15 113.70 115.05 2dhk s SER 43 Ca -0.01 -1.47 0.19 0.00 0.70 0.00 0.00 55.95 55.37 2dhk s SER 43 Cb -0.07 0.20 1.27 0.00 -1.71 0.00 0.00 66.02 65.71 2dhk s SER 43 CO 0.00 -0.76 2.05 0.03 1.20 0.00 0.00 173.24 175.76 2dhk h ARG 44 N 2.18 0.08 -4.72 5.44 3.08 -1.91 0.29 114.38 118.82 2dhk h ARG 44 Ca -0.37 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.31 2dhk h ARG 44 Cb 1.25 -0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.15 2dhk h ARG 44 CO 0.61 0.06 -0.53 0.95 -1.07 0.00 0.00 179.97 179.99 2dhk s THR 45 N -5.11 0.00 -2.33 2.04 -4.23 -1.26 -3.92 115.64 100.82 2dhk s THR 45 Ca -0.06 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 58.77 2dhk s THR 45 Cb 0.19 -2.50 0.62 0.00 1.34 0.00 0.00 72.50 72.15 2dhk s THR 45 CO 0.71 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.65 2dhk n ALA 46 N -0.47 2.62 -1.39 3.99 0.00 -1.26 -3.63 120.51 120.37 2dhk n ALA 46 Ca 0.05 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.18 2dhk n ALA 46 Cb 0.64 -1.25 0.16 0.00 0.00 0.00 0.00 19.45 19.00 2dhk n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dhk n GLN 47 N -0.16 1.34 -2.66 0.00 3.00 -1.26 -5.00 117.38 112.64 2dhk n GLN 47 Ca 0.20 -2.85 -0.43 0.00 -0.01 0.00 0.00 57.00 53.91 2dhk n GLN 47 Cb 0.30 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 2dhk n GLN 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2dhk s ASP 48 N -2.96 6.50 0.42 1.08 -1.08 -1.24 -4.89 116.67 114.50 2dhk s ASP 48 Ca 0.34 0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.77 2dhk s ASP 48 Cb 0.32 -2.52 1.25 0.00 -1.46 0.00 0.00 42.92 40.50 2dhk s ASP 48 CO -0.02 -1.31 1.71 0.00 0.52 0.00 0.00 175.17 176.07 2dhk h ALA 49 N 9.34 2.46 -3.21 3.66 0.00 -1.94 -3.36 119.26 126.21 2dhk h ALA 49 Ca -0.24 0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 2dhk h ALA 49 Cb 1.06 0.10 -0.35 0.00 0.00 0.00 0.00 17.79 18.61 2dhk h ALA 49 CO 1.13 -0.95 -0.84 -0.80 0.00 0.00 0.00 179.25 177.79 2dhk s ASN 50 N -4.95 2.62 0.33 0.00 0.02 -1.26 -5.12 114.94 106.57 2dhk s ASN 50 Ca -0.08 -0.47 -0.28 0.00 -1.02 0.00 0.00 52.86 51.00 2dhk s ASN 50 Cb 0.27 -1.17 -0.10 0.00 0.02 0.00 0.00 41.25 40.27 2dhk s ASN 50 CO 0.81 0.00 1.22 -2.16 0.02 0.00 0.00 177.10 176.99 2dhk s PRO 51 N 1.12 4.39 0.10 -0.60 0.04 -1.26 -4.91 135.00 133.88 2dhk s PRO 51 Ca -0.03 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 62.72 2dhk s PRO 51 Cb -0.14 -3.05 -0.14 0.00 0.04 0.00 0.00 34.50 31.21 2dhk s PRO 51 CO -0.05 -0.09 1.59 -0.07 0.04 0.00 0.00 177.00 178.43 2dhk h LEU 52 N 3.40 -1.16 -7.81 -3.56 3.38 -1.49 -3.47 115.31 104.60 2dhk h LEU 52 Ca -0.48 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2dhk h LEU 52 Cb 1.22 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 2dhk h LEU 52 CO 0.65 -0.55 -0.09 -0.62 0.09 0.00 0.00 178.44 177.92 2dhk s ASP 53 N -4.54 -0.16 0.16 -0.43 2.15 -1.15 -5.04 116.67 107.67 2dhk s ASP 53 Ca -0.17 -0.61 0.07 0.00 0.43 0.00 0.00 52.55 52.27 2dhk s ASP 53 Cb 0.06 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 2dhk s ASP 53 CO 0.62 -1.00 -0.16 -0.94 -0.17 0.00 0.00 175.17 173.53 2dhk s SER 54 N -2.90 2.39 -0.08 -0.34 1.04 -1.26 -2.21 113.70 110.34 2dhk s SER 54 Ca 0.12 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2dhk s SER 54 Cb 0.00 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2dhk s SER 54 CO -0.02 -0.11 -0.04 -0.63 0.98 0.00 0.00 173.24 173.42 2dhk s ILE 55 N -2.29 0.65 -0.60 -1.02 1.09 -0.39 -4.93 121.20 113.71 2dhk s ILE 55 Ca 0.15 -0.08 -0.27 0.00 -1.10 0.00 0.00 60.65 59.35 2dhk s ILE 55 Cb -0.04 -0.73 -0.02 0.00 -1.06 0.00 0.00 42.46 40.61 2dhk s ILE 55 CO 0.05 0.30 1.79 -0.62 -0.10 0.00 0.00 174.94 176.36 2dhk s ASP 56 N 1.68 5.42 0.48 3.58 2.15 -1.26 -1.55 116.67 127.17 2dhk s ASP 56 Ca 0.02 0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.61 2dhk s ASP 56 Cb -0.13 -2.53 1.17 0.00 -0.30 0.00 0.00 42.92 41.13 2dhk s ASP 56 CO -0.05 -2.25 1.94 -0.07 -0.17 0.00 0.00 175.17 174.56 2dhk h LEU 57 N 15.81 0.00 -1.54 -1.34 3.38 -1.91 -2.96 115.31 126.75 2dhk h LEU 57 Ca -0.27 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.04 2dhk h LEU 57 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2dhk h LEU 57 CO 1.21 0.18 0.78 0.28 0.09 0.00 0.00 178.44 180.98 2dhk h SER 58 N 0.00 0.28 0.00 -0.43 0.02 -1.88 0.36 113.55 111.91 2dhk h SER 58 Ca -0.00 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2dhk h SER 58 Cb 0.56 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.03 2dhk h SER 58 CO 0.02 -0.00 -0.55 -1.20 -1.14 0.00 0.00 176.83 173.96 2dhk n SER 59 N -4.52 1.44 -4.62 3.07 7.64 -1.14 -5.02 113.62 110.48 2dhk n SER 59 Ca 0.29 -3.01 -0.34 0.00 1.01 0.00 0.00 58.87 56.81 2dhk n SER 59 Cb 1.13 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.82 2dhk n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhk s ALA 60 N -1.92 3.13 -0.10 -0.43 0.00 0.12 -4.46 121.76 118.10 2dhk s ALA 60 Ca 0.31 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2dhk s ALA 60 Cb 0.31 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2dhk s ALA 60 CO -0.07 0.52 -0.17 0.54 0.00 0.00 0.00 175.76 176.58 2dhk s VAL 61 N -0.65 2.73 -0.23 0.00 0.11 -0.50 -4.90 120.40 116.96 2dhk s VAL 61 Ca 0.10 -0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 58.26 2dhk s VAL 61 Cb -0.12 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.59 2dhk s VAL 61 CO 0.02 0.55 0.14 -0.36 -3.33 0.00 0.00 175.10 172.12 2dhk s PHE 62 N 0.09 3.31 0.23 1.54 0.08 -1.26 0.09 117.98 122.06 2dhk s PHE 62 Ca -0.08 0.19 0.10 0.00 0.12 0.00 0.00 56.93 57.26 2dhk s PHE 62 Cb -0.15 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2dhk s PHE 62 CO 0.05 0.08 -0.17 0.34 -0.10 0.00 0.00 175.22 175.42 2dhk s ASP 63 N 0.91 3.01 -0.22 1.36 2.15 0.87 -4.92 116.67 119.83 2dhk s ASP 63 Ca 0.07 -1.01 -0.09 0.00 0.43 0.00 0.00 52.55 51.96 2dhk s ASP 63 Cb -0.13 -0.21 -0.04 0.00 -0.30 0.00 0.00 42.92 42.24 2dhk s ASP 63 CO 0.03 -0.07 0.11 0.00 -0.17 0.00 0.00 175.17 175.07 2dhk n LYS 65 N 4.08 -4.18 0.04 0.00 4.76 -1.04 -4.86 118.16 116.96 2dhk n LYS 65 Ca -0.16 -1.24 -0.07 0.00 -2.87 0.00 0.00 58.31 53.98 2dhk n LYS 65 Cb 0.52 -1.81 0.11 0.00 -1.84 0.00 0.00 35.03 32.01 2dhk n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dhk h ALA 66 N -3.41 0.84 -0.83 7.82 0.00 -1.99 -3.04 119.26 118.65 2dhk h ALA 66 Ca -0.36 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.54 2dhk h ALA 66 Cb 1.17 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.63 2dhk h ALA 66 CO 0.22 0.68 0.66 -3.47 0.00 0.00 0.00 179.25 177.34 2dhk n ASP 67 N -3.96 5.90 0.02 0.00 2.03 -1.26 -4.60 116.55 114.68 2dhk n ASP 67 Ca -0.02 -3.48 0.22 0.00 0.52 0.00 0.00 54.79 52.03 2dhk n ASP 67 Cb 0.57 -0.92 0.72 0.00 -0.72 0.00 0.00 41.12 40.77 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dhk h ALA 68 N 1.58 2.32 -0.40 -1.67 0.00 -1.79 -0.42 119.26 118.88 2dhk h ALA 68 Ca 0.52 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.52 2dhk h ALA 68 Cb 1.51 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2dhk h ALA 68 CO 1.18 -0.81 0.72 1.05 0.00 0.00 0.00 179.25 181.38 2dhk h GLU 69 N 0.00 0.00 0.08 0.00 4.11 -1.89 0.47 114.58 117.34 2dhk h GLU 69 Ca 0.26 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.33 2dhk h GLU 69 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2dhk h GLU 69 CO -0.00 0.00 -2.04 -1.91 0.07 0.00 0.00 179.01 175.13 2dhk n GLU 70 N -3.17 0.72 0.00 1.06 2.13 -0.17 -4.42 120.64 116.79 2dhk n GLU 70 Ca 0.08 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2dhk n GLU 70 Cb 0.86 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.89 2dhk n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dhk n GLY 71 N 1.95 0.29 3.20 8.31 0.00 0.16 -2.61 105.19 116.49 2dhk n GLY 71 Ca -0.31 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2dhk n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dhk s ILE 72 N 0.00 1.47 0.29 -0.61 1.09 -1.26 0.61 121.20 122.79 2dhk s ILE 72 Ca 0.00 -1.02 0.05 0.00 -1.10 0.00 0.00 60.65 58.58 2dhk s ILE 72 Cb 0.00 -1.27 -0.03 0.00 -1.06 0.00 0.00 42.46 40.09 2dhk s ILE 72 CO 0.00 0.23 0.23 0.72 -0.10 0.00 0.00 174.94 176.02 2dhk s PHE 73 N -0.69 1.57 -0.13 3.97 -0.71 -0.10 -2.49 117.98 119.42 2dhk s PHE 73 Ca 0.06 -1.57 -0.07 0.00 -1.04 0.00 0.00 56.93 54.30 2dhk s PHE 73 Cb -0.08 -0.67 0.05 0.00 -1.21 0.00 0.00 43.02 41.11 2dhk s PHE 73 CO 0.01 -0.80 0.31 -1.21 -1.34 0.00 0.00 175.22 172.20 2dhk s GLU 74 N -3.67 0.29 -0.45 1.99 2.02 0.17 -2.31 118.70 116.73 2dhk s GLU 74 Ca 0.40 0.61 -0.14 0.00 0.02 0.00 0.00 54.97 55.86 2dhk s GLU 74 Cb 0.04 -0.05 0.07 0.00 0.10 0.00 0.00 34.13 34.29 2dhk s GLU 74 CO 0.23 -0.14 0.35 0.42 0.02 0.00 0.00 175.26 176.13 2dhk s ILE 75 N 1.16 4.93 -0.17 -1.63 1.01 0.36 -0.09 121.20 126.76 2dhk s ILE 75 Ca -0.08 -1.15 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 2dhk s ILE 75 Cb -0.09 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2dhk s ILE 75 CO -0.09 -0.55 0.82 -0.54 0.00 0.00 0.00 174.94 174.58 2dhk s LYS 76 N 1.58 4.29 0.10 2.79 1.02 0.11 -0.89 119.74 128.74 2dhk s LYS 76 Ca 0.04 1.00 0.05 0.00 0.02 0.00 0.00 55.97 57.08 2dhk s LYS 76 Cb -0.24 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 2dhk s LYS 76 CO 0.05 -0.32 -0.14 0.95 -0.92 0.00 0.00 175.35 174.98 2dhk s THR 77 N 2.12 1.22 -2.00 2.17 -4.23 -1.26 -1.41 115.64 112.26 2dhk s THR 77 Ca 0.38 -1.56 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 2dhk s THR 77 Cb -0.17 -1.35 0.22 0.00 1.34 0.00 0.00 72.50 72.54 2dhk s THR 77 CO 0.12 -0.35 0.91 -0.81 -0.54 0.00 0.00 174.62 173.95 2dhk n PRO 78 N 0.82 0.49 -0.01 3.99 -0.04 -1.26 -3.11 135.00 135.86 2dhk n PRO 78 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.26 2dhk n PRO 78 Cb 0.56 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 2dhk n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhk n SER 79 N -0.75 1.43 -3.49 3.54 2.88 -1.26 -5.07 113.62 110.90 2dhk n SER 79 Ca 0.06 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2dhk n SER 79 Cb 0.03 -0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 2dhk n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhk s ARG 80 N -2.05 0.39 -0.16 -1.46 1.70 -1.18 -5.13 118.95 111.05 2dhk s ARG 80 Ca -0.04 0.95 -0.29 0.00 -0.47 0.00 0.00 55.73 55.88 2dhk s ARG 80 Cb 0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 2dhk s ARG 80 CO 0.05 -0.13 1.35 0.08 -1.08 0.00 0.00 175.30 175.57 2dhk s VAL 81 N 2.52 4.12 0.11 4.99 1.01 -1.26 -4.09 120.40 127.80 2dhk s VAL 81 Ca -0.04 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2dhk s VAL 81 Cb -0.08 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2dhk s VAL 81 CO -0.18 -0.16 0.22 -0.63 0.00 0.00 0.00 175.10 174.35 2dhk s ILE 82 N 3.74 5.16 -0.22 2.22 -1.09 -0.07 -4.97 121.20 125.96 2dhk s ILE 82 Ca 0.59 -0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 58.37 2dhk s ILE 82 Cb -0.23 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2dhk s ILE 82 CO 0.18 0.01 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.98 2dhk s THR 83 N -1.62 1.29 0.06 2.92 2.01 -1.26 -0.49 115.64 118.55 2dhk s THR 83 Ca 0.34 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2dhk s THR 83 Cb -0.12 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2dhk s THR 83 CO 0.27 -0.09 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.18 2dhk s LEU 84 N 1.51 2.22 0.07 4.42 1.43 -0.98 -2.90 118.68 124.45 2dhk s LEU 84 Ca -0.04 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2dhk s LEU 84 Cb -0.18 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2dhk s LEU 84 CO -0.07 0.04 -0.20 -1.59 0.23 0.00 0.00 176.35 174.76 2dhk s LYS 85 N -1.46 1.23 0.51 1.70 -2.85 -1.22 -0.92 119.74 116.74 2dhk s LYS 85 Ca 0.03 -1.02 0.08 0.00 -1.00 0.00 0.00 55.97 54.06 2dhk s LYS 85 Cb -0.09 -1.40 0.05 0.00 -2.06 0.00 0.00 37.83 34.33 2dhk s LYS 85 CO 0.02 0.34 0.62 0.00 0.10 0.00 0.00 175.35 176.44 2dhk s ALA 86 N -0.97 4.54 0.00 0.59 0.00 0.20 -3.24 121.76 122.88 2dhk s ALA 86 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2dhk s ALA 86 Cb -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2dhk s ALA 86 CO 0.03 -0.58 0.82 0.00 0.00 0.00 0.00 175.76 176.03 2dhk n ALA 87 N -1.98 -0.17 -4.50 0.00 0.00 -1.26 -4.62 120.51 107.97 2dhk n ALA 87 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2dhk n ALA 87 Cb 0.61 0.19 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 2dhk n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dhk n THR 88 N -1.84 0.00 -0.20 0.00 -2.24 -1.25 -4.64 114.28 104.11 2dhk n THR 88 Ca 0.00 -1.74 -0.04 0.00 -2.27 0.00 0.00 64.05 59.99 2dhk n THR 88 Cb 0.00 0.32 0.13 0.00 -2.10 0.00 0.00 70.33 68.68 2dhk n THR 88 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dhk h LYS 89 N 0.00 1.00 0.00 -0.78 1.63 -1.71 -1.94 116.57 114.76 2dhk h LYS 89 Ca -0.31 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.27 2dhk h LYS 89 Cb 0.93 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2dhk h LYS 89 CO 0.50 0.86 -0.09 0.37 -3.45 0.00 0.00 179.45 177.64 2dhk h GLN 90 N 0.96 0.00 0.28 1.90 4.15 -1.93 -2.88 115.11 117.59 2dhk h GLN 90 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 2dhk h GLN 90 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2dhk h GLN 90 CO -0.01 0.09 -0.13 0.00 -1.93 0.00 0.00 178.83 176.85 2dhk h ALA 91 N 1.91 -0.62 -0.86 3.38 0.00 -1.74 -3.19 119.26 118.13 2dhk h ALA 91 Ca -0.00 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.99 2dhk h ALA 91 Cb 0.53 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2dhk h ALA 91 CO 0.01 -0.59 0.42 0.00 0.00 0.00 0.00 179.25 179.09 2dhk h MET 92 N -0.63 0.54 -1.03 0.00 -0.00 -1.58 0.12 114.93 112.35 2dhk h MET 92 Ca -0.04 -0.03 0.27 0.00 -0.00 0.00 0.00 59.70 59.90 2dhk h MET 92 Cb 0.29 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.60 31.68 2dhk h MET 92 CO 0.06 0.36 0.68 -0.07 -0.00 0.00 0.00 176.91 177.94 2dhk h LEU 93 N 0.56 0.38 -0.31 -0.10 3.38 -1.58 0.40 115.31 118.02 2dhk h LEU 93 Ca 0.49 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 58.33 2dhk h LEU 93 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dhk h LEU 93 CO -0.41 0.08 -0.75 0.22 0.09 0.00 0.00 178.44 177.68 2dhk h TYR 94 N 0.34 0.75 0.09 1.13 3.20 -0.74 -2.36 116.97 119.38 2dhk h TYR 94 Ca 0.57 -0.33 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 2dhk h TYR 94 Cb 1.56 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.71 2dhk h TYR 94 CO -0.00 1.11 -0.04 -1.49 -1.64 0.00 0.00 178.16 176.10 2dhk h TRP 95 N 0.38 -0.12 -0.44 -3.82 4.06 -0.19 -0.71 115.95 115.11 2dhk h TRP 95 Ca -0.04 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.96 2dhk h TRP 95 Cb 1.34 0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.50 2dhk h TRP 95 CO 0.06 0.36 0.19 -0.07 -3.56 0.00 0.00 178.44 175.41 2dhk h LEU 96 N -0.66 0.23 0.46 -4.49 3.38 -0.81 0.41 115.31 113.85 2dhk h LEU 96 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dhk h LEU 96 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dhk h LEU 96 CO 0.02 0.17 -0.22 -0.61 0.09 0.00 0.00 178.44 177.89 2dhk h GLN 97 N 0.38 -0.60 0.47 1.13 5.75 -1.48 -2.86 115.11 117.90 2dhk h GLN 97 Ca 0.20 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 2dhk h GLN 97 Cb 0.16 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 2dhk h GLN 97 CO -0.18 -0.31 -0.30 1.96 -2.65 0.00 0.00 178.83 177.35 2dhk h GLN 98 N -0.84 -0.70 -0.78 1.69 1.08 -0.97 -2.63 115.11 111.97 2dhk h GLN 98 Ca -0.06 0.05 0.27 0.00 -1.45 0.00 0.00 58.65 57.45 2dhk h GLN 98 Cb 0.57 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 28.01 2dhk h GLN 98 CO 0.10 -0.46 0.20 1.28 -0.95 0.00 0.00 178.83 179.00 2dhk n LEU 99 N -4.21 0.08 0.31 1.46 4.77 0.14 0.78 117.00 120.33 2dhk n LEU 99 Ca -0.09 1.31 -0.17 0.00 -0.03 0.00 0.00 56.01 57.04 2dhk n LEU 99 Cb 0.30 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 2dhk n LEU 99 CO 0.21 -1.39 0.66 1.56 -1.33 0.00 0.00 177.39 177.09 2dhk h GLN 100 N 0.00 -0.71 -0.76 3.23 4.20 -1.23 -2.94 115.11 116.88 2dhk h GLN 100 Ca 0.56 0.05 0.18 0.00 0.06 0.00 0.00 58.65 59.50 2dhk h GLN 100 Cb 1.34 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 29.14 2dhk h GLN 100 CO -0.67 -0.46 -0.11 -1.33 -0.67 0.00 0.00 178.83 175.59 2dhk n MET 101 N -5.39 -0.07 0.17 1.46 2.81 0.23 0.96 117.12 117.29 2dhk n MET 101 Ca -0.12 1.17 -0.14 0.00 -1.81 0.00 0.00 57.70 56.80 2dhk n MET 101 Cb 0.31 -1.80 -0.07 0.00 -0.71 0.00 0.00 33.22 30.95 2dhk n MET 101 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2dhk h LYS 102 N 0.00 -0.40 0.37 0.03 1.79 -1.40 0.11 116.57 117.07 2dhk h LYS 102 Ca 0.41 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.89 2dhk h LYS 102 Cb 0.72 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2dhk h LYS 102 CO -0.76 -0.27 -0.18 -0.09 -1.08 0.00 0.00 179.45 177.08 2dhk h ARG 103 N -0.42 -0.48 -0.95 3.15 2.43 0.63 -3.18 114.38 115.56 2dhk h ARG 103 Ca -0.02 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.46 2dhk h ARG 103 Cb 0.35 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 29.85 2dhk h ARG 103 CO 0.01 -0.32 0.18 2.35 -1.51 0.00 0.00 179.97 180.69 2dhk h TRP 104 N -0.77 0.23 -0.30 2.20 7.01 0.51 0.13 115.95 124.96 2dhk h TRP 104 Ca -0.05 0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.07 2dhk h TRP 104 Cb 0.38 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.41 2dhk h TRP 104 CO 0.05 -0.36 -0.36 0.93 -2.79 0.00 0.00 178.44 175.92 2dhk h GLU 105 N 0.08 -0.32 -0.93 2.65 5.08 -1.00 0.00 114.58 120.14 2dhk h GLU 105 Ca 0.62 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 59.18 2dhk h GLU 105 Cb 1.34 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.55 2dhk h GLU 105 CO -0.80 -0.21 0.51 0.35 -1.00 0.00 0.00 179.01 177.86 2dhk h PHE 106 N -0.33 0.90 0.00 4.33 3.57 -0.72 0.73 116.94 125.42 2dhk h PHE 106 Ca 0.14 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2dhk h PHE 106 Cb 0.56 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2dhk h PHE 106 CO -0.52 0.16 -0.01 0.45 -2.23 0.00 0.00 178.31 176.17 2dhk h HIS 107 N 0.65 0.00 0.00 0.41 3.86 -0.78 -3.12 115.15 116.17 2dhk h HIS 107 Ca 0.54 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.54 2dhk h HIS 107 Cb 0.85 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2dhk h HIS 107 CO -0.06 0.01 -1.24 0.09 0.86 0.00 0.00 177.93 177.59 2dhk n ASN 108 N -3.13 1.86 -3.07 2.45 3.02 0.23 -4.86 115.26 111.76 2dhk n ASN 108 Ca -0.01 0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 2dhk n ASN 108 Cb 0.19 -0.93 -0.12 0.00 -0.61 0.00 0.00 39.78 38.31 2dhk n ASN 108 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dhk n SER 109 N -4.45 -0.24 -4.77 6.41 7.64 0.35 -4.81 113.62 113.74 2dhk n SER 109 Ca -0.29 -0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.18 2dhk n SER 109 Cb 0.62 -0.53 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dhk s PRO 110 N 5.64 3.48 0.64 1.43 0.04 -1.26 -5.01 135.00 139.96 2dhk s PRO 110 Ca 0.92 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 2dhk s PRO 110 Cb -0.76 -2.13 0.16 0.00 0.04 0.00 0.00 34.50 31.81 2dhk s PRO 110 CO 0.35 -0.76 0.57 -0.35 0.04 0.00 0.00 177.00 176.85 2dhk n PRO 111 N -1.05 -2.12 -1.66 0.56 -0.04 -1.26 -4.95 135.00 124.47 2dhk n PRO 111 Ca 0.10 -0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 62.25 2dhk n PRO 111 Cb 0.50 -0.85 0.01 0.00 -0.04 0.00 0.00 33.50 33.13 2dhk n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhk n ALA 112 N -3.97 0.80 -2.19 0.55 0.00 -1.26 -4.90 120.51 109.55 2dhk n ALA 112 Ca -0.11 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2dhk n ALA 112 Cb 0.30 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2dhk n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dhk s PRO 113 N -2.19 4.29 -0.10 0.00 0.04 -1.26 -5.02 135.00 130.76 2dhk s PRO 113 Ca 0.63 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2dhk s PRO 113 Cb -0.52 -3.48 0.02 0.00 0.04 0.00 0.00 34.50 30.56 2dhk s PRO 113 CO 0.57 -0.54 -0.09 -1.12 0.04 0.00 0.00 177.00 175.86 2dhk s SER 114 N 1.69 2.06 0.00 6.66 0.01 -1.26 -5.03 113.70 117.84 2dhk s SER 114 Ca 0.65 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2dhk s SER 114 Cb -0.34 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2dhk s SER 114 CO 0.28 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2dhk n GLY 115 N 4.68 -0.62 3.69 3.44 0.00 -1.26 -5.15 105.19 109.97 2dhk n GLY 115 Ca -0.15 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2dhk n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhk s PRO 116 N 0.00 0.76 -0.22 1.61 0.04 -1.26 -5.02 135.00 130.90 2dhk s PRO 116 Ca 0.00 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2dhk s PRO 116 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2dhk s PRO 116 CO 0.00 -2.53 0.23 -1.12 0.04 0.00 0.00 177.00 173.61 2dhk s SER 117 N -3.44 6.22 0.16 6.66 0.01 -1.26 -5.03 113.70 117.02 2dhk s SER 117 Ca 0.65 0.24 -0.20 0.00 1.31 0.00 0.00 55.95 57.95 2dhk s SER 117 Cb -0.18 -2.14 -0.12 0.00 0.21 0.00 0.00 66.02 63.78 2dhk s SER 117 CO 0.57 0.03 0.35 -1.54 0.41 0.00 0.00 173.24 173.07 2dhk n SER 118 N 4.27 -1.01 0.00 2.44 3.41 -1.26 -5.30 113.62 116.17 2dhk n SER 118 Ca -0.13 0.80 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 2dhk n SER 118 Cb 0.52 -0.69 0.23 0.00 -0.26 0.00 0.00 64.21 64.01 2dhk n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49