#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk n SER 2 N 0.00 0.83 -4.04 1.61 7.64 -1.26 -4.87 113.62 113.53 2dhk n SER 2 Ca 0.00 0.77 -0.34 0.00 1.01 0.00 0.00 58.87 60.31 2dhk n SER 2 Cb 0.00 -0.86 -0.11 0.00 -1.01 0.00 0.00 64.21 62.23 2dhk n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhk s SER 3 N 5.07 4.87 -0.34 6.43 0.15 -1.26 -5.05 113.70 123.58 2dhk s SER 3 Ca 1.12 -2.93 -0.05 0.00 0.70 0.00 0.00 55.95 54.78 2dhk s SER 3 Cb -1.44 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 61.15 2dhk s SER 3 CO 0.67 -0.31 0.10 -0.83 1.20 0.00 0.00 173.24 174.07 2dhk s GLY 4 N 0.28 1.84 -0.77 9.45 0.00 -1.26 -5.03 107.32 111.83 2dhk s GLY 4 Ca 0.17 -1.84 -0.26 0.00 0.00 0.00 0.00 44.72 42.79 2dhk s GLY 4 CO -0.02 0.79 2.42 1.44 0.00 0.00 0.00 173.10 177.73 2dhk n SER 5 N 4.76 1.85 -4.17 1.64 7.64 -1.26 -4.85 113.62 119.23 2dhk n SER 5 Ca -0.12 -1.43 -0.11 0.00 1.01 0.00 0.00 58.87 58.22 2dhk n SER 5 Cb 0.44 -1.66 -0.10 0.00 -1.01 0.00 0.00 64.21 61.88 2dhk n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dhk s SER 6 N 11.02 0.16 -0.87 6.43 0.01 -1.26 -5.06 113.70 124.13 2dhk s SER 6 Ca 0.93 -1.30 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 2dhk s SER 6 Cb -0.13 0.38 -0.19 0.00 0.21 0.00 0.00 66.02 66.28 2dhk s SER 6 CO 0.09 -0.84 2.37 0.61 0.41 0.00 0.00 173.24 175.89 2dhk n GLY 7 N -0.24 -0.43 3.62 3.44 0.00 -1.26 -4.81 105.19 105.52 2dhk n GLY 7 Ca -0.00 1.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.61 2dhk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhk s LYS 8 N 7.88 3.91 0.61 1.61 1.02 -1.26 -5.01 119.74 128.51 2dhk s LYS 8 Ca 1.20 0.85 -0.19 0.00 0.02 0.00 0.00 55.97 57.84 2dhk s LYS 8 Cb -1.12 -3.81 -0.02 0.00 -0.52 0.00 0.00 37.83 32.35 2dhk s LYS 8 CO 0.44 -1.12 1.28 -1.59 -0.92 0.00 0.00 175.35 173.44 2dhk s LYS 9 N 4.02 2.77 -0.59 1.68 -2.85 -1.26 -4.94 119.74 118.57 2dhk s LYS 9 Ca 0.47 2.03 -0.23 0.00 -1.00 0.00 0.00 55.97 57.23 2dhk s LYS 9 Cb -0.10 -1.94 0.05 0.00 -2.06 0.00 0.00 37.83 33.78 2dhk s LYS 9 CO 0.23 -1.41 0.95 -1.17 0.10 0.00 0.00 175.35 174.04 2dhk s LEU 10 N -4.13 4.20 0.11 2.77 2.96 -1.26 -5.00 118.68 118.33 2dhk s LEU 10 Ca 0.79 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2dhk s LEU 10 Cb -0.36 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2dhk s LEU 10 CO 0.39 -1.30 0.07 0.00 -1.32 0.00 0.00 176.35 174.18 2dhk n GLY 12 N -0.05 2.44 3.84 0.00 0.00 -0.49 -5.02 105.19 105.91 2dhk n GLY 12 Ca -0.08 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 3.46 0.31 1.61 1.51 -1.26 -1.86 117.35 119.12 2dhk s TYR 13 Ca 0.00 1.22 -0.04 0.00 -1.01 0.00 0.00 57.07 57.24 2dhk s TYR 13 Cb 0.00 -2.52 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 2dhk s TYR 13 CO 0.00 0.19 0.43 -0.51 -1.11 0.00 0.00 175.55 174.55 2dhk s LEU 14 N -2.65 0.93 -0.12 -1.29 1.43 -0.23 -4.84 118.68 111.92 2dhk s LEU 14 Ca 0.50 -1.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2dhk s LEU 14 Cb -0.12 1.36 0.02 0.00 0.03 0.00 0.00 46.19 47.48 2dhk s LEU 14 CO 0.19 -1.20 -0.13 -0.44 0.23 0.00 0.00 176.35 175.00 2dhk s SER 15 N -3.19 2.44 -0.10 2.29 0.01 -1.22 -0.41 113.70 113.53 2dhk s SER 15 Ca 0.30 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.96 2dhk s SER 15 Cb 0.01 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 2dhk s SER 15 CO 0.18 -0.05 0.50 -0.75 0.41 0.00 0.00 173.24 173.53 2dhk s LYS 16 N 1.36 4.33 -0.49 12.44 2.20 -0.87 -2.70 119.74 136.01 2dhk s LYS 16 Ca 0.01 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.94 2dhk s LYS 16 Cb -0.13 -3.42 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2dhk s LYS 16 CO -0.07 0.18 0.55 0.12 -0.36 0.00 0.00 175.35 175.77 2dhk s PHE 17 N 0.52 3.11 -0.37 4.03 5.36 -0.83 -1.53 117.98 128.28 2dhk s PHE 17 Ca 0.27 -0.63 -0.20 0.00 -0.96 0.00 0.00 56.93 55.41 2dhk s PHE 17 Cb -0.16 -3.39 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 2dhk s PHE 17 CO 0.12 -0.94 0.47 0.41 -1.46 0.00 0.00 175.22 173.81 2dhk n GLY 18 N 5.17 -1.05 1.04 13.12 0.00 -0.73 -4.76 105.19 117.99 2dhk n GLY 18 Ca -0.08 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.92 2dhk n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhk n GLY 19 N 0.06 0.06 0.16 -0.02 0.00 -1.26 -4.94 105.19 99.25 2dhk n GLY 19 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2dhk n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dhk h LYS 20 N 0.00 -0.29 -7.31 1.61 1.63 -1.94 -3.46 116.57 106.81 2dhk h LYS 20 Ca 0.00 0.02 -0.51 0.00 -0.85 0.00 0.00 60.65 59.31 2dhk h LYS 20 Cb 0.00 0.07 0.09 0.00 -0.60 0.00 0.00 32.23 31.79 2dhk h LYS 20 CO 0.00 -0.17 0.37 0.20 -3.45 0.00 0.00 179.45 176.40 2dhk s GLY 21 N -3.21 1.77 0.35 5.01 0.00 -1.26 -4.96 107.32 105.02 2dhk s GLY 21 Ca -0.05 0.16 0.14 0.00 0.00 0.00 0.00 44.72 44.97 2dhk s GLY 21 CO 0.16 0.47 1.76 -0.56 0.00 0.00 0.00 173.10 174.92 2dhk h PRO 22 N -0.46 0.00 -7.30 2.90 0.13 -1.97 -3.45 132.00 121.86 2dhk h PRO 22 Ca -0.44 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 2dhk h PRO 22 Cb 1.21 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.47 2dhk h PRO 22 CO 0.57 0.43 0.33 0.96 -0.23 0.00 0.00 178.00 180.06 2dhk s ILE 23 N -3.89 3.32 -0.24 -3.56 -0.00 -1.26 -5.02 121.20 110.54 2dhk s ILE 23 Ca -0.02 0.46 -0.08 0.00 -0.00 0.00 0.00 60.65 61.01 2dhk s ILE 23 Cb 0.13 -2.95 -0.03 0.00 -0.00 0.00 0.00 42.46 39.61 2dhk s ILE 23 CO 0.72 -0.53 0.09 -0.13 -0.00 0.00 0.00 174.94 175.08 2dhk s ARG 24 N -4.77 3.75 0.00 0.37 0.52 -1.26 -4.33 118.95 113.22 2dhk s ARG 24 Ca 0.62 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2dhk s ARG 24 Cb -0.18 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.93 2dhk s ARG 24 CO 0.54 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2dhk n GLY 25 N 4.75 1.01 3.74 -3.53 0.00 -1.26 -4.85 105.19 105.06 2dhk n GLY 25 Ca -0.16 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2dhk n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhk s TRP 26 N -2.00 3.74 -0.06 1.61 0.52 -1.25 -1.76 118.94 119.73 2dhk s TRP 26 Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 56.10 57.87 2dhk s TRP 26 Cb 0.00 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.19 2dhk s TRP 26 CO 0.00 -0.16 -0.05 -1.59 0.02 0.00 0.00 176.95 175.17 2dhk s LYS 27 N -0.74 1.01 -0.03 4.98 -2.85 -0.58 -4.90 119.74 116.63 2dhk s LYS 27 Ca 0.46 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 55.00 2dhk s LYS 27 Cb -0.28 -1.07 -0.07 0.00 -2.06 0.00 0.00 37.83 34.36 2dhk s LYS 27 CO 0.34 -0.14 1.80 -1.12 0.10 0.00 0.00 175.35 176.33 2dhk s SER 28 N 1.24 6.52 0.04 0.03 0.01 -1.26 -2.04 113.70 118.24 2dhk s SER 28 Ca -0.05 2.38 0.01 0.00 1.31 0.00 0.00 55.95 59.59 2dhk s SER 28 Cb -0.14 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2dhk s SER 28 CO -0.02 -1.03 -0.05 -0.13 0.41 0.00 0.00 173.24 172.42 2dhk s ARG 29 N 4.33 0.50 -0.40 12.44 1.81 0.45 -4.98 118.95 133.10 2dhk s ARG 29 Ca 0.81 -0.84 -0.19 0.00 -1.72 0.00 0.00 55.73 53.78 2dhk s ARG 29 Cb -0.37 -0.05 0.01 0.00 -0.45 0.00 0.00 34.95 34.09 2dhk s ARG 29 CO 0.35 -0.02 0.55 -0.46 -0.68 0.00 0.00 175.30 175.04 2dhk s TRP 30 N -2.07 3.13 -0.15 -0.53 -0.11 -0.13 -1.06 118.94 118.01 2dhk s TRP 30 Ca -0.07 -0.04 -0.06 0.00 1.22 0.00 0.00 56.10 57.15 2dhk s TRP 30 Cb -0.05 -3.10 -0.04 0.00 -1.50 0.00 0.00 33.47 28.77 2dhk s TRP 30 CO -0.02 -0.72 0.06 -0.06 -4.62 0.00 0.00 176.95 171.59 2dhk s PHE 31 N 2.52 3.27 -0.07 5.86 0.40 -0.78 -0.58 117.98 128.61 2dhk s PHE 31 Ca 0.19 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 2dhk s PHE 31 Cb -0.15 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.41 2dhk s PHE 31 CO 0.16 0.29 0.17 -0.59 0.70 0.00 0.00 175.22 175.95 2dhk s PHE 32 N -0.06 -0.21 0.31 0.36 -0.12 0.86 -1.40 117.98 117.72 2dhk s PHE 32 Ca 0.06 0.54 -0.23 0.00 -0.05 0.00 0.00 56.93 57.25 2dhk s PHE 32 Cb -0.12 -0.01 -0.09 0.00 -0.63 0.00 0.00 43.02 42.16 2dhk s PHE 32 CO 0.01 -0.16 0.87 -0.47 -0.05 0.00 0.00 175.22 175.42 2dhk s TYR 33 N 0.90 3.63 -0.19 3.49 6.14 -0.76 -0.90 117.35 129.66 2dhk s TYR 33 Ca -0.07 1.63 -0.00 0.00 0.64 0.00 0.00 57.07 59.27 2dhk s TYR 33 Cb -0.08 -2.81 0.01 0.00 0.42 0.00 0.00 41.96 39.49 2dhk s TYR 33 CO -0.05 0.21 -0.16 0.34 0.64 0.00 0.00 175.55 176.53 2dhk s ASP 34 N -1.71 3.45 0.00 4.32 -1.08 0.14 -4.78 116.67 117.01 2dhk s ASP 34 Ca 0.49 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 52.24 2dhk s ASP 34 Cb -0.17 -1.55 1.14 0.00 -1.46 0.00 0.00 42.92 40.88 2dhk s ASP 34 CO 0.22 0.00 1.80 -1.84 0.52 0.00 0.00 175.17 175.87 2dhk n GLU 35 N 4.60 1.06 -0.01 4.34 0.28 -1.26 -1.86 120.64 127.78 2dhk n GLU 35 Ca -0.20 -0.49 -0.16 0.00 -0.16 0.00 0.00 57.16 56.15 2dhk n GLU 35 Cb 0.50 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.76 2dhk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dhk h ARG 36 N 1.20 0.19 -0.20 3.44 2.47 -1.93 -3.36 114.38 116.20 2dhk h ARG 36 Ca 0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2dhk h ARG 36 Cb 0.39 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2dhk h ARG 36 CO 0.00 1.03 0.00 1.63 0.56 0.00 0.00 179.97 183.19 2dhk n LYS 37 N -4.41 2.46 -3.66 0.04 5.02 -1.25 -4.99 118.16 111.36 2dhk n LYS 37 Ca -0.11 -1.72 -0.21 0.00 -2.02 0.00 0.00 58.31 54.25 2dhk n LYS 37 Cb 0.59 -1.17 0.04 0.00 -0.02 0.00 0.00 35.03 34.47 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 -5.91 0.68 -0.42 0.00 -0.21 -0.79 -4.37 119.66 108.64 2dhk s GLN 39 Ca 0.04 -1.22 -0.12 0.00 0.02 0.00 0.00 55.36 54.08 2dhk s GLN 39 Cb -0.02 0.23 0.05 0.00 1.00 0.00 0.00 33.01 34.27 2dhk s GLN 39 CO 0.80 -0.15 0.28 -1.17 -2.12 0.00 0.00 175.29 172.93 2dhk s LEU 40 N -2.93 5.13 -0.05 2.90 2.96 -0.44 0.26 118.68 126.51 2dhk s LEU 40 Ca 0.09 -1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 52.77 2dhk s LEU 40 Cb 0.08 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2dhk s LEU 40 CO -0.09 -0.50 0.15 -0.31 -1.32 0.00 0.00 176.35 174.28 2dhk s TYR 41 N 1.57 3.51 -0.01 5.38 1.51 -0.08 -0.76 117.35 128.47 2dhk s TYR 41 Ca 0.03 0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 56.47 2dhk s TYR 41 Cb -0.21 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 2dhk s TYR 41 CO 0.06 0.66 0.03 1.52 -1.11 0.00 0.00 175.55 176.71 2dhk s TYR 42 N -1.20 -0.03 0.39 2.71 -0.85 -1.04 -0.10 117.35 117.22 2dhk s TYR 42 Ca 0.22 0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.89 2dhk s TYR 42 Cb -0.12 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.21 2dhk s TYR 42 CO 0.13 -0.02 0.11 -1.13 -1.52 0.00 0.00 175.55 173.12 2dhk n SER 43 N 3.10 1.61 -0.16 -0.18 3.41 0.25 -1.79 113.62 119.85 2dhk n SER 43 Ca -0.13 -2.98 -0.04 0.00 -0.26 0.00 0.00 58.87 55.46 2dhk n SER 43 Cb 0.60 0.82 0.14 0.00 -0.26 0.00 0.00 64.21 65.51 2dhk n SER 43 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dhk h ARG 44 N 0.00 0.92 -2.89 4.33 3.08 -1.87 -0.32 114.38 117.63 2dhk h ARG 44 Ca -0.31 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 2dhk h ARG 44 Cb 1.11 -0.13 -0.19 0.00 0.08 0.00 0.00 29.97 30.84 2dhk h ARG 44 CO 0.49 0.83 -0.17 0.95 -1.07 0.00 0.00 179.97 181.00 2dhk s THR 45 N -5.21 0.05 0.47 2.04 -4.23 -1.26 -4.10 115.64 103.40 2dhk s THR 45 Ca -0.10 -0.42 0.33 0.00 -1.18 0.00 0.00 61.69 60.32 2dhk s THR 45 Cb 0.15 -0.76 0.33 0.00 1.34 0.00 0.00 72.50 73.56 2dhk s THR 45 CO 0.82 -0.23 2.00 0.00 -0.54 0.00 0.00 174.62 176.67 2dhk h ALA 46 N 3.54 1.14 0.00 3.99 0.00 -1.90 0.24 119.26 126.26 2dhk h ALA 46 Ca -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2dhk h ALA 46 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dhk h ALA 46 CO 0.41 -0.14 -0.27 1.96 0.00 0.00 0.00 179.25 181.21 2dhk h GLN 47 N 0.00 0.00 -6.01 0.00 7.50 -1.99 -3.43 115.11 111.18 2dhk h GLN 47 Ca 0.00 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.56 2dhk h GLN 47 Cb 0.30 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.74 2dhk h GLN 47 CO 0.00 0.27 0.58 -0.51 -1.50 0.00 0.00 178.83 177.67 2dhk s ASP 48 N -6.27 6.75 0.00 1.46 1.11 0.83 -4.90 116.67 115.65 2dhk s ASP 48 Ca 0.03 0.76 0.30 0.00 0.18 0.00 0.00 52.55 53.82 2dhk s ASP 48 Cb 0.08 -2.46 1.48 0.00 1.07 0.00 0.00 42.92 43.09 2dhk s ASP 48 CO 0.68 -0.76 2.02 0.00 1.18 0.00 0.00 175.17 178.29 2dhk n ALA 49 N 6.54 2.59 -3.44 5.23 0.00 -1.26 -4.59 120.51 125.58 2dhk n ALA 49 Ca 0.07 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 2dhk n ALA 49 Cb 0.48 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 2dhk n ALA 49 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dhk s ASN 50 N -2.48 5.88 0.10 0.00 0.02 -1.26 -5.06 114.94 112.14 2dhk s ASN 50 Ca 0.31 -1.84 -0.31 0.00 -1.02 0.00 0.00 52.86 50.00 2dhk s ASN 50 Cb 0.20 -2.08 -0.07 0.00 0.02 0.00 0.00 41.25 39.31 2dhk s ASN 50 CO 0.46 -0.74 1.37 -2.16 0.02 0.00 0.00 177.10 176.04 2dhk s PRO 51 N 1.46 4.33 0.07 -0.60 0.04 -1.26 -4.80 135.00 134.24 2dhk s PRO 51 Ca 0.05 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 2dhk s PRO 51 Cb -0.27 -3.29 -0.19 0.00 0.04 0.00 0.00 34.50 30.79 2dhk s PRO 51 CO 0.01 -0.43 1.62 -0.07 0.04 0.00 0.00 177.00 178.17 2dhk h LEU 52 N 6.94 -0.73 -8.38 -3.56 3.38 -1.72 -3.47 115.31 107.77 2dhk h LEU 52 Ca -0.42 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.40 2dhk h LEU 52 Cb 1.21 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 42.01 2dhk h LEU 52 CO 0.86 -0.52 -0.52 -0.62 0.09 0.00 0.00 178.44 177.74 2dhk s ASP 53 N -4.44 0.16 0.13 -0.43 2.15 -1.23 -5.05 116.67 107.97 2dhk s ASP 53 Ca -0.17 -1.16 0.04 0.00 0.43 0.00 0.00 52.55 51.68 2dhk s ASP 53 Cb 0.03 0.38 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 2dhk s ASP 53 CO 0.62 -0.84 -0.09 -0.94 -0.17 0.00 0.00 175.17 173.75 2dhk s SER 54 N -3.06 1.63 -0.09 -0.34 1.04 -1.26 -2.50 113.70 109.12 2dhk s SER 54 Ca 0.27 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.70 2dhk s SER 54 Cb 0.06 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2dhk s SER 54 CO 0.05 -0.36 -0.08 -0.63 0.98 0.00 0.00 173.24 173.19 2dhk s ILE 55 N -3.40 0.97 -0.68 -1.02 1.09 0.06 -4.94 121.20 113.29 2dhk s ILE 55 Ca 0.15 -0.31 -0.27 0.00 -1.10 0.00 0.00 60.65 59.12 2dhk s ILE 55 Cb 0.03 -0.96 0.01 0.00 -1.06 0.00 0.00 42.46 40.49 2dhk s ILE 55 CO -0.01 0.34 1.45 -0.62 -0.10 0.00 0.00 174.94 176.00 2dhk s ASP 56 N 1.27 5.93 0.15 3.58 2.15 -1.26 -1.33 116.67 127.15 2dhk s ASP 56 Ca -0.04 -0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.06 2dhk s ASP 56 Cb -0.14 -2.55 0.93 0.00 -0.30 0.00 0.00 42.92 40.86 2dhk s ASP 56 CO -0.03 -1.95 1.77 0.18 -0.17 0.00 0.00 175.17 174.96 2dhk n LEU 57 N 10.26 0.50 -0.31 -1.34 4.77 -1.26 -3.53 117.00 126.09 2dhk n LEU 57 Ca 0.09 0.57 0.21 0.00 -0.03 0.00 0.00 56.01 56.85 2dhk n LEU 57 Cb 0.50 -0.44 0.49 0.00 -2.33 0.00 0.00 43.42 41.64 2dhk n LEU 57 CO 0.71 -0.23 1.22 -1.28 -1.33 0.00 0.00 177.39 176.48 2dhk h SER 58 N 0.00 0.48 -0.73 -1.43 0.87 -1.88 -2.20 113.55 108.67 2dhk h SER 58 Ca 0.00 0.08 -0.39 0.00 -1.23 0.00 0.00 61.79 60.25 2dhk h SER 58 Cb 0.55 -0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.10 2dhk h SER 58 CO 0.00 0.12 -1.00 -1.20 -0.53 0.00 0.00 176.83 174.22 2dhk n SER 59 N -4.63 2.89 -4.40 6.23 7.64 -1.23 -5.01 113.62 115.11 2dhk n SER 59 Ca 0.24 -2.83 -0.31 0.00 1.01 0.00 0.00 58.87 56.99 2dhk n SER 59 Cb 0.81 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 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 -3.61 2.42 -0.19 -0.43 0.00 -0.83 -4.35 121.76 114.77 2dhk s ALA 60 Ca 0.36 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2dhk s ALA 60 Cb 0.38 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2dhk s ALA 60 CO -0.02 0.55 -0.13 0.54 0.00 0.00 0.00 175.76 176.70 2dhk s VAL 61 N -0.80 2.65 -0.07 0.00 0.11 -0.08 -4.94 120.40 117.27 2dhk s VAL 61 Ca 0.12 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.19 2dhk s VAL 61 Cb -0.10 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 2dhk s VAL 61 CO 0.02 0.49 0.75 -0.36 -3.33 0.00 0.00 175.10 172.68 2dhk s PHE 62 N 1.32 3.58 0.22 1.54 0.08 -1.26 -0.33 117.98 123.12 2dhk s PHE 62 Ca 0.04 1.31 0.07 0.00 0.12 0.00 0.00 56.93 58.48 2dhk s PHE 62 Cb -0.14 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.40 2dhk s PHE 62 CO -0.08 0.05 -0.11 0.34 -0.10 0.00 0.00 175.22 175.31 2dhk s ASP 63 N 0.86 2.48 -0.10 1.36 2.15 0.11 -4.96 116.67 118.59 2dhk s ASP 63 Ca 0.40 -1.07 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 2dhk s ASP 63 Cb -0.18 -0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.29 2dhk s ASP 63 CO 0.19 -0.24 -0.03 0.00 -0.17 0.00 0.00 175.17 174.92 2dhk s LYS 65 N -0.57 -0.68 0.24 0.00 -0.14 -1.05 -4.93 119.74 112.61 2dhk s LYS 65 Ca 0.09 0.15 0.05 0.00 -1.36 0.00 0.00 55.97 54.90 2dhk s LYS 65 Cb -0.12 -1.64 0.26 0.00 -1.68 0.00 0.00 37.83 34.65 2dhk s LYS 65 CO 0.02 -3.39 1.56 0.00 -0.76 0.00 0.00 175.35 172.78 2dhk h ALA 66 N -2.36 0.86 -0.84 5.17 0.00 -2.00 -3.02 119.26 117.07 2dhk h ALA 66 Ca -0.49 -0.55 -0.46 0.00 0.00 0.00 0.00 54.91 53.42 2dhk h ALA 66 Cb 1.31 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 2dhk h ALA 66 CO 0.43 0.74 0.58 -0.25 0.00 0.00 0.00 179.25 180.75 2dhk n ASP 67 N -3.86 4.11 0.33 0.00 8.00 -1.26 -4.58 116.55 119.29 2dhk n ASP 67 Ca -0.02 -3.39 0.12 0.00 0.71 0.00 0.00 54.79 52.21 2dhk n ASP 67 Cb 0.62 -0.81 0.62 0.00 -0.02 0.00 0.00 41.12 41.53 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhk h ALA 68 N 1.24 1.47 -0.80 2.24 0.00 -1.79 -1.44 119.26 120.19 2dhk h ALA 68 Ca 0.54 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.68 2dhk h ALA 68 Cb 2.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.12 2dhk h ALA 68 CO 0.99 -0.47 0.90 1.05 0.00 0.00 0.00 179.25 181.72 2dhk h GLU 69 N 0.00 0.00 0.05 0.00 4.11 -1.89 0.64 114.58 117.50 2dhk h GLU 69 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 2dhk h GLU 69 Cb 0.95 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 2dhk h GLU 69 CO 0.00 0.00 -2.06 -1.91 0.07 0.00 0.00 179.01 175.11 2dhk n GLU 70 N -3.45 0.70 0.00 1.06 2.13 -0.54 -4.35 120.64 116.18 2dhk n GLU 70 Ca 0.17 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2dhk n GLU 70 Cb 1.16 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 31.20 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 1.90 0.36 3.22 8.31 0.00 0.23 -2.12 105.19 117.09 2dhk n GLY 71 Ca -0.31 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 1.55 0.33 -0.61 1.09 -1.26 0.33 121.20 122.63 2dhk s ILE 72 Ca 0.00 -1.08 0.06 0.00 -1.10 0.00 0.00 60.65 58.53 2dhk s ILE 72 Cb 0.00 -1.34 -0.03 0.00 -1.06 0.00 0.00 42.46 40.03 2dhk s ILE 72 CO 0.00 0.23 0.30 0.72 -0.10 0.00 0.00 174.94 176.08 2dhk s PHE 73 N -0.72 1.70 -0.18 3.97 -0.71 -0.18 -2.52 117.98 119.33 2dhk s PHE 73 Ca 0.07 -1.64 -0.10 0.00 -1.04 0.00 0.00 56.93 54.23 2dhk s PHE 73 Cb -0.08 -0.66 0.06 0.00 -1.21 0.00 0.00 43.02 41.13 2dhk s PHE 73 CO 0.01 -0.90 0.43 -1.21 -1.34 0.00 0.00 175.22 172.22 2dhk s GLU 74 N -3.41 0.41 -0.41 1.99 2.02 0.15 -2.56 118.70 116.89 2dhk s GLU 74 Ca 0.40 0.85 -0.17 0.00 0.02 0.00 0.00 54.97 56.08 2dhk s GLU 74 Cb 0.02 0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.30 2dhk s GLU 74 CO 0.27 -0.17 0.40 0.42 0.02 0.00 0.00 175.26 176.20 2dhk s ILE 75 N 1.55 5.14 -0.24 -1.63 1.01 0.04 0.09 121.20 127.17 2dhk s ILE 75 Ca -0.09 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 2dhk s ILE 75 Cb -0.08 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2dhk s ILE 75 CO -0.13 -0.38 0.71 -0.54 0.00 0.00 0.00 174.94 174.59 2dhk s LYS 76 N 2.01 4.16 0.11 2.79 1.02 0.56 -0.84 119.74 129.54 2dhk s LYS 76 Ca 0.10 0.71 0.06 0.00 0.02 0.00 0.00 55.97 56.86 2dhk s LYS 76 Cb -0.18 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2dhk s LYS 76 CO 0.13 -0.42 -0.14 0.95 -0.92 0.00 0.00 175.35 174.95 2dhk s THR 77 N 2.51 1.25 -2.00 2.17 -4.23 -1.26 -0.90 115.64 113.18 2dhk s THR 77 Ca 0.30 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 2dhk s THR 77 Cb -0.16 -1.44 0.23 0.00 1.34 0.00 0.00 72.50 72.48 2dhk s THR 77 CO 0.09 -0.40 0.94 -0.81 -0.54 0.00 0.00 174.62 173.90 2dhk n PRO 78 N 0.67 0.49 -0.02 3.99 -0.04 -1.26 -3.19 135.00 135.63 2dhk n PRO 78 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 2dhk n PRO 78 Cb 0.57 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.76 0.65 -3.49 3.54 2.88 -1.26 -5.07 113.62 110.10 2dhk n SER 79 Ca 0.06 0.05 0.01 0.00 -1.33 0.00 0.00 58.87 57.66 2dhk n SER 79 Cb 0.03 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 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 -2.09 0.39 -0.21 -1.46 1.70 -1.19 -5.13 118.95 110.95 2dhk s ARG 80 Ca -0.07 0.96 -0.29 0.00 -0.47 0.00 0.00 55.73 55.86 2dhk s ARG 80 Cb 0.03 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 2dhk s ARG 80 CO 0.09 -0.13 1.37 0.08 -1.08 0.00 0.00 175.30 175.63 2dhk s VAL 81 N 2.56 4.07 0.24 4.99 1.01 -1.26 -4.19 120.40 127.82 2dhk s VAL 81 Ca -0.04 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2dhk s VAL 81 Cb -0.08 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dhk s VAL 81 CO -0.18 -0.27 0.43 -0.63 0.00 0.00 0.00 175.10 174.45 2dhk s ILE 82 N 4.13 5.18 -0.25 2.22 -1.09 -0.02 -4.95 121.20 126.41 2dhk s ILE 82 Ca 0.60 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2dhk s ILE 82 Cb -0.22 -3.78 0.08 0.00 -1.58 0.00 0.00 42.46 36.97 2dhk s ILE 82 CO 0.21 -0.28 0.05 -0.89 -1.23 0.00 0.00 174.94 172.80 2dhk s THR 83 N -1.99 0.86 0.16 2.92 2.01 -1.26 -0.78 115.64 117.56 2dhk s THR 83 Ca 0.39 -1.06 0.10 0.00 0.31 0.00 0.00 61.69 61.43 2dhk s THR 83 Cb -0.10 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2dhk s THR 83 CO 0.31 -0.40 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.84 2dhk s LEU 84 N 1.67 2.38 -0.02 4.42 1.43 -1.06 -1.96 118.68 125.54 2dhk s LEU 84 Ca 0.03 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2dhk s LEU 84 Cb -0.17 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2dhk s LEU 84 CO -0.15 0.10 -0.18 -1.59 0.23 0.00 0.00 176.35 174.76 2dhk s LYS 85 N -2.40 1.46 0.74 1.70 -2.85 -1.10 -1.01 119.74 116.27 2dhk s LYS 85 Ca 0.16 -0.63 -0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2dhk s LYS 85 Cb -0.08 -1.40 0.14 0.00 -2.06 0.00 0.00 37.83 34.43 2dhk s LYS 85 CO 0.07 0.37 1.02 0.00 0.10 0.00 0.00 175.35 176.91 2dhk s ALA 86 N -0.39 3.76 0.08 0.59 0.00 0.15 -3.37 121.76 122.57 2dhk s ALA 86 Ca 0.06 -1.85 -0.36 0.00 0.00 0.00 0.00 51.96 49.82 2dhk s ALA 86 Cb -0.07 -1.94 -0.18 0.00 0.00 0.00 0.00 23.12 20.92 2dhk s ALA 86 CO -0.01 -1.54 1.58 0.00 0.00 0.00 0.00 175.76 175.80 2dhk h ALA 87 N -0.58 -1.14 -2.25 0.00 0.00 -1.88 -3.44 119.26 109.97 2dhk h ALA 87 Ca -0.35 -0.22 -0.46 0.00 0.00 0.00 0.00 54.91 53.88 2dhk h ALA 87 Cb 1.26 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 2dhk h ALA 87 CO 0.38 -1.16 -0.54 0.95 0.00 0.00 0.00 179.25 178.88 2dhk s THR 88 N -5.96 0.38 0.49 0.00 -4.23 -1.25 -4.77 115.64 100.29 2dhk s THR 88 Ca -0.19 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.57 2dhk s THR 88 Cb 0.04 -2.48 0.43 0.00 1.34 0.00 0.00 72.50 71.82 2dhk s THR 88 CO 0.61 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 177.08 2dhk h LYS 89 N 2.10 0.17 0.12 3.99 1.63 -1.62 -0.55 116.57 122.40 2dhk h LYS 89 Ca -0.33 -0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.25 2dhk h LYS 89 Cb 1.25 -0.04 0.02 0.00 -0.60 0.00 0.00 32.23 32.87 2dhk h LYS 89 CO 0.52 0.11 -0.90 0.37 -3.45 0.00 0.00 179.45 176.10 2dhk h GLN 90 N 0.17 0.39 -0.70 1.90 4.15 -1.91 -3.16 115.11 115.96 2dhk h GLN 90 Ca 0.42 -0.59 0.14 0.00 0.77 0.00 0.00 58.65 59.39 2dhk h GLN 90 Cb 1.39 0.21 -0.13 0.00 0.21 0.00 0.00 27.48 29.15 2dhk h GLN 90 CO -0.08 1.25 -0.22 0.00 -1.93 0.00 0.00 178.83 177.86 2dhk h ALA 91 N 0.17 0.36 -0.46 3.38 0.00 -1.48 0.49 119.26 121.71 2dhk h ALA 91 Ca -0.15 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dhk h ALA 91 Cb 1.67 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 2dhk h ALA 91 CO 0.17 -0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.11 2dhk h MET 92 N -0.04 0.70 -1.06 0.00 -0.00 -1.62 -2.56 114.93 110.36 2dhk h MET 92 Ca 0.32 -0.14 0.28 0.00 -0.00 0.00 0.00 59.70 60.16 2dhk h MET 92 Cb 0.53 -0.11 -0.07 0.00 -0.00 0.00 0.00 31.60 31.95 2dhk h MET 92 CO -0.73 0.66 0.71 -0.07 -0.00 0.00 0.00 176.91 177.48 2dhk h LEU 93 N 0.60 0.27 -0.18 -0.10 3.38 -0.89 0.36 115.31 118.75 2dhk h LEU 93 Ca 0.15 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 2dhk h LEU 93 Cb 0.24 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2dhk h LEU 93 CO -0.01 0.06 -0.78 0.22 0.09 0.00 0.00 178.44 178.01 2dhk h TYR 94 N 0.24 1.01 0.14 1.13 3.20 -0.97 -2.60 116.97 119.14 2dhk h TYR 94 Ca 0.56 -0.45 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2dhk h TYR 94 Cb 1.72 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2dhk h TYR 94 CO -0.00 1.28 -0.07 -1.49 -1.64 0.00 0.00 178.16 176.24 2dhk h TRP 95 N 0.51 -0.18 -0.80 -3.82 4.06 -0.31 -1.36 115.95 114.05 2dhk h TRP 95 Ca -0.05 -0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.00 2dhk h TRP 95 Cb 1.41 0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 29.55 2dhk h TRP 95 CO 0.08 0.24 0.42 -0.07 -3.56 0.00 0.00 178.44 175.56 2dhk h LEU 96 N -0.67 0.56 0.47 -4.49 3.38 -0.83 0.65 115.31 114.38 2dhk h LEU 96 Ca -0.02 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dhk h LEU 96 Cb 0.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2dhk h LEU 96 CO 0.03 0.30 -0.22 -0.61 0.09 0.00 0.00 178.44 178.03 2dhk h GLN 97 N 0.68 -0.60 0.42 1.13 5.75 -1.48 -3.18 115.11 117.83 2dhk h GLN 97 Ca 0.40 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.94 2dhk h GLN 97 Cb 0.45 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 2dhk h GLN 97 CO -0.29 -0.40 -0.45 1.96 -2.65 0.00 0.00 178.83 177.00 2dhk h GLN 98 N -0.83 -0.86 -0.73 1.69 1.08 -1.10 -2.06 115.11 112.31 2dhk h GLN 98 Ca -0.06 0.06 0.29 0.00 -1.45 0.00 0.00 58.65 57.48 2dhk h GLN 98 Cb 0.48 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 27.99 2dhk h GLN 98 CO 0.11 -0.57 0.42 1.28 -0.95 0.00 0.00 178.83 179.11 2dhk n LEU 99 N -5.53 0.21 -0.02 1.46 4.77 0.23 0.23 117.00 118.35 2dhk n LEU 99 Ca -0.11 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 2dhk n LEU 99 Cb 0.43 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2dhk n LEU 99 CO 0.26 -1.17 0.64 1.56 -1.33 0.00 0.00 177.39 177.36 2dhk h GLN 100 N 0.00 0.07 -0.82 3.23 4.20 -1.35 -3.24 115.11 117.20 2dhk h GLN 100 Ca 0.57 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.38 2dhk h GLN 100 Cb 1.59 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.23 2dhk h GLN 100 CO -0.45 0.51 -0.28 -1.33 -0.67 0.00 0.00 178.83 176.61 2dhk n MET 101 N -4.81 -0.15 0.19 1.46 2.81 0.63 0.14 117.12 117.39 2dhk n MET 101 Ca -0.08 1.26 -0.15 0.00 -1.81 0.00 0.00 57.70 56.93 2dhk n MET 101 Cb 0.26 -1.88 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 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 -0.60 0.24 0.03 1.79 -1.57 -0.58 116.57 115.87 2dhk h LYS 102 Ca 0.32 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 2dhk h LYS 102 Cb 0.53 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2dhk h LYS 102 CO -0.82 -0.40 -0.11 -0.09 -1.08 0.00 0.00 179.45 176.94 2dhk h ARG 103 N -0.63 -0.31 -0.86 3.15 2.43 -0.31 -3.14 114.38 114.72 2dhk h ARG 103 Ca -0.01 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.48 2dhk h ARG 103 Cb 0.59 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 30.05 2dhk h ARG 103 CO -0.08 -0.20 0.23 1.87 -1.51 0.00 0.00 179.97 180.27 2dhk n TRP 104 N -3.16 0.77 -0.17 2.20 -0.00 0.37 0.16 117.44 117.61 2dhk n TRP 104 Ca -0.04 1.03 -0.02 0.00 -0.00 0.00 0.00 57.50 58.47 2dhk n TRP 104 Cb 0.13 -1.28 0.07 0.00 -0.00 0.00 0.00 31.31 30.23 2dhk n TRP 104 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 2dhk h GLU 105 N 0.00 0.30 -0.62 5.87 5.08 -1.09 -1.33 114.58 122.78 2dhk h GLU 105 Ca 0.62 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.03 2dhk h GLU 105 Cb 1.49 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 2dhk h GLU 105 CO -0.74 0.20 0.32 0.35 -1.00 0.00 0.00 179.01 178.14 2dhk h PHE 106 N 0.31 0.58 -0.23 4.33 3.57 0.15 0.64 116.94 126.29 2dhk h PHE 106 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2dhk h PHE 106 Cb 0.32 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2dhk h PHE 106 CO -0.19 0.26 0.15 0.45 -2.23 0.00 0.00 178.31 176.74 2dhk h HIS 107 N 0.59 0.30 0.00 0.41 3.86 -1.06 -2.43 115.15 116.81 2dhk h HIS 107 Ca 0.29 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 2dhk h HIS 107 Cb 0.22 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2dhk h HIS 107 CO -0.10 0.21 -0.44 -0.91 0.86 0.00 0.00 177.93 177.56 2dhk h ASN 108 N 0.30 0.00 0.00 2.45 -0.26 -0.74 -3.44 115.58 113.90 2dhk h ASN 108 Ca 0.08 0.00 -0.44 0.00 -0.56 0.00 0.00 56.30 55.39 2dhk h ASN 108 Cb -0.01 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.17 2dhk h ASN 108 CO -0.02 0.44 1.57 -0.24 -1.06 0.00 0.00 177.43 178.12 2dhk n SER 109 N -3.69 0.20 -4.67 5.81 2.88 0.22 -4.86 113.62 109.50 2dhk n SER 109 Ca -0.01 0.13 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 2dhk n SER 109 Cb 0.52 -0.80 0.18 0.00 -0.75 0.00 0.00 64.21 63.35 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dhk s PRO 110 N 7.93 0.31 1.19 -1.46 0.04 -1.26 -5.03 135.00 136.72 2dhk s PRO 110 Ca 1.21 0.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2dhk s PRO 110 Cb -1.11 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 31.99 2dhk s PRO 110 CO 0.44 -2.81 1.11 -1.25 0.04 0.00 0.00 177.00 174.53 2dhk s PRO 111 N -4.96 -1.15 0.27 0.56 0.04 -1.26 -4.91 135.00 123.58 2dhk s PRO 111 Ca 0.66 -0.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 2dhk s PRO 111 Cb -0.19 -1.60 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 2dhk s PRO 111 CO 0.58 -3.67 0.28 0.00 0.04 0.00 0.00 177.00 174.23 2dhk n ALA 112 N -4.73 -2.76 -1.00 8.56 0.00 -1.26 -4.94 120.51 114.37 2dhk n ALA 112 Ca 0.13 0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.82 2dhk n ALA 112 Cb 0.59 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2dhk n ALA 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dhk n PRO 113 N 1.05 -1.06 -3.76 0.00 -0.04 -1.26 -5.10 135.00 124.82 2dhk n PRO 113 Ca 0.13 -0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2dhk n PRO 113 Cb 0.29 -0.03 -0.10 0.00 -0.04 0.00 0.00 33.50 33.62 2dhk n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dhk s SER 114 N -1.57 -0.26 0.19 3.54 0.01 -1.26 -5.16 113.70 109.19 2dhk s SER 114 Ca 0.01 0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.50 2dhk s SER 114 Cb -0.00 0.50 -0.07 0.00 0.21 0.00 0.00 66.02 66.65 2dhk s SER 114 CO 0.01 -0.27 0.60 -0.83 0.41 0.00 0.00 173.24 173.16 2dhk s GLY 115 N -0.56 2.46 1.15 3.44 0.00 -1.26 -5.08 107.32 107.47 2dhk s GLY 115 Ca -0.07 -0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 2dhk s GLY 115 CO 0.02 0.20 1.11 2.56 0.00 0.00 0.00 173.10 176.99 2dhk s PRO 116 N -2.16 -0.81 -0.10 2.90 0.04 -1.26 -5.09 135.00 128.52 2dhk s PRO 116 Ca 0.42 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 2dhk s PRO 116 Cb -0.14 -1.63 0.11 0.00 0.04 0.00 0.00 34.50 32.88 2dhk s PRO 116 CO 0.20 -3.47 0.94 -1.12 0.04 0.00 0.00 177.00 173.59 2dhk s SER 117 N -3.77 -0.38 -0.02 6.66 0.01 -1.26 -5.14 113.70 109.78 2dhk s SER 117 Ca 0.69 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.93 2dhk s SER 117 Cb -0.12 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2dhk s SER 117 CO 0.56 -0.46 1.00 -0.94 0.41 0.00 0.00 173.24 173.82 2dhk s SER 118 N -1.62 7.32 0.00 2.44 1.04 -1.26 -5.36 113.70 116.26 2dhk s SER 118 Ca 0.00 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2dhk s SER 118 Cb -0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2dhk s SER 118 CO -0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.49