#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 1.68 -3.97 1.61 7.64 -1.26 -4.92 113.62 114.40 2dhk n SER 2 Ca 0.00 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.85 2dhk n SER 2 Cb 0.00 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.43 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 -6.04 4.52 0.00 6.43 0.15 -1.26 -5.00 113.70 112.50 2dhk s SER 3 Ca -0.22 -2.52 0.00 0.00 0.70 0.00 0.00 55.95 53.91 2dhk s SER 3 Cb 0.04 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2dhk s SER 3 CO 0.32 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2dhk n GLY 4 N 3.76 -1.96 3.05 9.45 0.00 -1.26 -5.11 105.19 113.12 2dhk n GLY 4 Ca 0.04 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 2dhk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhk s SER 5 N -0.57 0.21 -0.22 1.61 0.15 -1.26 -3.40 113.70 110.22 2dhk s SER 5 Ca 0.00 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 2dhk s SER 5 Cb 0.00 0.16 0.15 0.00 -1.71 0.00 0.00 66.02 64.62 2dhk s SER 5 CO 0.00 -0.40 1.15 -0.55 1.20 0.00 0.00 173.24 174.64 2dhk s SER 6 N -1.76 -0.25 0.00 5.45 0.15 -1.26 -4.99 113.70 111.04 2dhk s SER 6 Ca -0.11 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dhk s SER 6 Cb -0.05 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2dhk s SER 6 CO -0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dhk n GLY 7 N 0.91 1.39 3.91 9.45 0.00 -1.26 -5.09 105.19 114.49 2dhk n GLY 7 Ca -0.07 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 2dhk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dhk s LYS 8 N -0.39 3.59 0.92 1.61 -2.85 -1.26 -5.04 119.74 116.31 2dhk s LYS 8 Ca 0.00 0.15 -0.14 0.00 -1.00 0.00 0.00 55.97 54.98 2dhk s LYS 8 Cb 0.00 -2.45 -0.02 0.00 -2.06 0.00 0.00 37.83 33.30 2dhk s LYS 8 CO 0.00 -0.08 0.14 1.17 0.10 0.00 0.00 175.35 176.68 2dhk n LYS 9 N -1.88 -0.13 -3.58 1.78 4.81 -1.26 -4.94 118.16 112.96 2dhk n LYS 9 Ca -0.00 -0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 2dhk n LYS 9 Cb 0.55 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 2dhk n LYS 9 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dhk s LEU 10 N 1.21 5.17 0.10 3.14 2.96 -1.26 -5.06 118.68 124.94 2dhk s LEU 10 Ca 0.54 -1.46 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 2dhk s LEU 10 Cb -0.23 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2dhk s LEU 10 CO 0.69 -0.54 0.10 0.00 -1.32 0.00 0.00 176.35 175.29 2dhk n GLY 12 N -0.04 3.22 3.81 0.00 0.00 -0.91 -5.03 105.19 106.25 2dhk n GLY 12 Ca -0.11 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.50 3.05 0.32 1.61 1.51 -1.26 -3.05 117.35 118.03 2dhk s TYR 13 Ca 0.00 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.39 2dhk s TYR 13 Cb 0.00 -2.92 0.02 0.00 -0.11 0.00 0.00 41.96 38.95 2dhk s TYR 13 CO 0.00 -1.25 0.59 -0.51 -1.11 0.00 0.00 175.55 173.27 2dhk s LEU 14 N -5.36 0.37 -0.23 -1.29 1.43 -0.49 -4.85 118.68 108.26 2dhk s LEU 14 Ca 0.59 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2dhk s LEU 14 Cb -0.15 2.08 0.03 0.00 0.03 0.00 0.00 46.19 48.18 2dhk s LEU 14 CO 0.51 -1.36 -0.11 -0.44 0.23 0.00 0.00 176.35 175.19 2dhk s SER 15 N -3.08 4.03 -0.22 2.29 0.01 -1.22 -1.05 113.70 114.46 2dhk s SER 15 Ca 0.22 -0.96 -0.25 0.00 1.31 0.00 0.00 55.95 56.27 2dhk s SER 15 Cb -0.02 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 2dhk s SER 15 CO 0.13 -0.11 0.84 -0.75 0.41 0.00 0.00 173.24 173.76 2dhk s LYS 16 N 1.25 4.23 0.73 12.44 2.20 -0.41 -3.04 119.74 137.14 2dhk s LYS 16 Ca -0.01 1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 56.49 2dhk s LYS 16 Cb -0.17 -3.62 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2dhk s LYS 16 CO -0.07 -0.46 1.08 0.12 -0.36 0.00 0.00 175.35 175.66 2dhk s PHE 17 N 2.62 3.10 0.00 4.03 5.36 -0.61 -1.71 117.98 130.76 2dhk s PHE 17 Ca 0.37 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2dhk s PHE 17 Cb -0.16 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 2dhk s PHE 17 CO 0.09 -1.39 0.00 0.41 -1.46 0.00 0.00 175.22 172.87 2dhk n GLY 18 N -2.36 1.61 7.00 13.12 0.00 -1.25 -4.84 105.19 118.48 2dhk n GLY 18 Ca 0.07 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 0.83 3.16 -0.02 0.00 -1.26 -4.33 105.19 103.57 2dhk n GLY 19 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 2dhk n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dhk n LYS 20 N 2.76 -3.01 0.00 1.61 2.85 -1.26 -4.89 118.16 116.22 2dhk n LYS 20 Ca 0.00 -0.88 0.00 0.00 -1.05 0.00 0.00 58.31 56.38 2dhk n LYS 20 Cb 0.00 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 2dhk n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dhk n GLY 21 N 2.08 -1.47 0.21 2.58 0.00 -1.26 -4.71 105.19 102.62 2dhk n GLY 21 Ca 0.07 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.00 -5.59 1.61 0.13 -1.98 -3.45 132.00 122.72 2dhk h PRO 22 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2dhk h PRO 22 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 2dhk h PRO 22 CO 0.00 0.27 -0.52 0.96 -0.23 0.00 0.00 178.00 178.48 2dhk s ILE 23 N -3.82 1.75 0.03 -3.56 -0.00 -1.26 -5.14 121.20 109.19 2dhk s ILE 23 Ca -0.01 -1.88 -0.01 0.00 -0.00 0.00 0.00 60.65 58.75 2dhk s ILE 23 Cb 0.12 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.46 39.90 2dhk s ILE 23 CO 0.65 0.00 0.17 0.00 -0.00 0.00 0.00 174.94 175.77 2dhk s ARG 24 N -3.87 3.34 0.00 0.37 1.04 -1.26 -4.83 118.95 113.75 2dhk s ARG 24 Ca 0.26 -0.43 0.00 0.00 -1.04 0.00 0.00 55.73 54.53 2dhk s ARG 24 Cb 0.05 -3.01 0.00 0.00 -2.04 0.00 0.00 34.95 29.94 2dhk s ARG 24 CO 0.14 0.63 0.00 0.41 -0.04 0.00 0.00 175.30 176.45 2dhk n GLY 25 N 0.64 2.23 3.75 3.88 0.00 -1.26 -4.85 105.19 109.58 2dhk n GLY 25 Ca -0.08 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2dhk n GLY 25 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dhk n TRP 26 N -0.30 2.89 -4.58 1.61 7.02 -1.26 -3.81 117.44 119.01 2dhk n TRP 26 Ca 0.00 0.26 -0.21 0.00 -1.02 0.00 0.00 57.50 56.52 2dhk n TRP 26 Cb 0.00 -2.60 -0.15 0.00 -2.42 0.00 0.00 31.31 26.14 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 -0.58 1.06 -0.05 -0.99 2.47 -0.69 -4.92 119.74 116.04 2dhk s LYS 27 Ca 0.63 -0.45 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 2dhk s LYS 27 Cb -0.49 -1.02 -0.05 0.00 -1.46 0.00 0.00 37.83 34.81 2dhk s LYS 27 CO 0.49 0.26 1.44 -1.12 0.16 0.00 0.00 175.35 176.59 2dhk s SER 28 N -0.26 6.82 0.03 1.43 0.01 -1.26 -1.28 113.70 119.19 2dhk s SER 28 Ca 0.04 2.05 0.01 0.00 1.31 0.00 0.00 55.95 59.36 2dhk s SER 28 Cb -0.05 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2dhk s SER 28 CO -0.00 -0.79 -0.04 -0.60 0.41 0.00 0.00 173.24 172.22 2dhk s ARG 29 N 3.10 0.41 -0.32 12.44 6.06 -0.22 -4.95 118.95 135.47 2dhk s ARG 29 Ca 0.64 -0.72 -0.16 0.00 -2.50 0.00 0.00 55.73 53.00 2dhk s ARG 29 Cb -0.30 0.01 -0.02 0.00 0.06 0.00 0.00 34.95 34.70 2dhk s ARG 29 CO 0.25 -0.03 0.40 -0.46 -2.50 0.00 0.00 175.30 172.96 2dhk s TRP 30 N -1.71 3.21 -0.03 5.12 -0.00 0.21 -1.39 118.94 124.35 2dhk s TRP 30 Ca -0.12 0.16 0.01 0.00 -0.00 0.00 0.00 56.10 56.15 2dhk s TRP 30 Cb -0.08 -2.70 -0.03 0.00 -0.00 0.00 0.00 33.47 30.66 2dhk s TRP 30 CO -0.01 -0.39 -0.04 -0.06 -0.00 0.00 0.00 176.95 176.44 2dhk s PHE 31 N 2.12 2.98 -0.23 5.86 0.40 -1.17 0.83 117.98 128.77 2dhk s PHE 31 Ca 0.14 0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.36 2dhk s PHE 31 Cb -0.16 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.76 2dhk s PHE 31 CO 0.11 0.39 0.57 -0.59 0.70 0.00 0.00 175.22 176.40 2dhk s PHE 32 N -0.94 -0.79 0.31 0.36 -0.12 0.84 -2.14 117.98 115.51 2dhk s PHE 32 Ca 0.15 1.68 -0.23 0.00 -0.05 0.00 0.00 56.93 58.49 2dhk s PHE 32 Cb -0.11 0.39 -0.10 0.00 -0.63 0.00 0.00 43.02 42.57 2dhk s PHE 32 CO 0.05 -0.40 0.87 -0.47 -0.05 0.00 0.00 175.22 175.22 2dhk s TYR 33 N 1.15 3.59 -0.14 3.49 6.14 -0.98 -1.28 117.35 129.33 2dhk s TYR 33 Ca -0.07 1.61 -0.02 0.00 0.64 0.00 0.00 57.07 59.23 2dhk s TYR 33 Cb -0.06 -2.80 -0.02 0.00 0.42 0.00 0.00 41.96 39.50 2dhk s TYR 33 CO -0.11 0.18 -0.07 0.34 0.64 0.00 0.00 175.55 176.53 2dhk s ASP 34 N -1.77 4.54 -0.34 4.32 -1.08 -0.25 -4.83 116.67 117.26 2dhk s ASP 34 Ca 0.50 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.45 2dhk s ASP 34 Cb -0.16 -1.65 0.75 0.00 -1.46 0.00 0.00 42.92 40.39 2dhk s ASP 34 CO 0.21 0.19 1.83 -1.84 0.52 0.00 0.00 175.17 176.08 2dhk n GLU 35 N 3.36 3.59 -0.08 4.34 0.28 -1.26 -3.27 120.64 127.60 2dhk n GLU 35 Ca -0.18 -3.09 -0.16 0.00 -0.16 0.00 0.00 57.16 53.57 2dhk n GLU 35 Cb 0.53 -2.22 -0.06 0.00 1.43 0.00 0.00 31.44 31.12 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 -0.26 0.33 -0.13 3.44 1.74 -1.26 -4.72 116.66 115.81 2dhk n ARG 36 Ca 0.43 0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.69 2dhk n ARG 36 Cb 1.43 -1.08 0.10 0.00 -1.02 0.00 0.00 32.46 31.89 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 -3.57 2.77 -3.75 5.56 5.02 -1.26 -4.99 118.16 117.95 2dhk n LYS 37 Ca -0.30 -1.98 -0.23 0.00 -2.02 0.00 0.00 58.31 53.79 2dhk n LYS 37 Cb 0.72 -1.25 0.03 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 -6.12 0.61 -0.50 0.00 -0.21 -1.21 -4.14 119.66 108.09 2dhk s GLN 39 Ca 0.14 -0.80 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 2dhk s GLN 39 Cb -0.07 -0.45 0.06 0.00 1.00 0.00 0.00 33.01 33.54 2dhk s GLN 39 CO 0.82 0.09 0.62 -1.17 -2.12 0.00 0.00 175.29 173.53 2dhk s LEU 40 N -1.59 4.96 0.07 2.90 2.96 -0.50 -1.09 118.68 126.40 2dhk s LEU 40 Ca -0.07 -0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 52.89 2dhk s LEU 40 Cb -0.10 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2dhk s LEU 40 CO 0.01 -0.89 0.29 -0.31 -1.32 0.00 0.00 176.35 174.14 2dhk s TYR 41 N 2.62 3.53 -0.09 5.38 1.51 -0.40 -0.87 117.35 129.03 2dhk s TYR 41 Ca 0.15 0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 56.63 2dhk s TYR 41 Cb -0.19 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2dhk s TYR 41 CO 0.12 0.54 0.23 1.52 -1.11 0.00 0.00 175.55 176.86 2dhk s TYR 42 N -1.48 -0.27 0.28 2.71 -0.85 -0.87 -0.11 117.35 116.76 2dhk s TYR 42 Ca 0.34 0.65 0.04 0.00 -0.52 0.00 0.00 57.07 57.58 2dhk s TYR 42 Cb -0.13 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 2dhk s TYR 42 CO 0.22 -0.14 0.14 -1.13 -1.52 0.00 0.00 175.55 173.12 2dhk n SER 43 N 3.20 0.62 0.05 -0.18 3.41 0.24 -1.94 113.62 119.02 2dhk n SER 43 Ca -0.15 -2.60 -0.12 0.00 -0.26 0.00 0.00 58.87 55.74 2dhk n SER 43 Cb 0.57 0.91 -0.07 0.00 -0.26 0.00 0.00 64.21 65.36 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 -0.03 0.00 4.33 3.08 -1.90 0.59 114.38 120.45 2dhk h ARG 44 Ca -0.21 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.40 2dhk h ARG 44 Cb 0.89 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.83 2dhk h ARG 44 CO 0.33 -0.02 -0.40 0.25 -1.07 0.00 0.00 179.97 179.06 2dhk n THR 45 N -5.10 0.00 0.18 2.04 -2.24 -1.26 -3.26 114.28 104.64 2dhk n THR 45 Ca -0.07 -2.28 0.06 0.00 -2.27 0.00 0.00 64.05 59.50 2dhk n THR 45 Cb 0.04 1.17 0.15 0.00 -2.10 0.00 0.00 70.33 69.59 2dhk n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dhk h ALA 46 N 2.05 0.82 -0.24 6.98 0.00 -1.94 -3.22 119.26 123.70 2dhk h ALA 46 Ca -0.24 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2dhk h ALA 46 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dhk h ALA 46 CO 0.34 0.40 -0.40 1.96 0.00 0.00 0.00 179.25 181.55 2dhk h GLN 47 N 0.00 0.57 -3.83 0.00 4.20 -2.00 -3.33 115.11 110.72 2dhk h GLN 47 Ca -0.00 -0.29 -0.57 0.00 0.06 0.00 0.00 58.65 57.84 2dhk h GLN 47 Cb 1.17 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.97 2dhk h GLN 47 CO 0.04 0.87 2.79 -0.25 -0.67 0.00 0.00 178.83 181.62 2dhk n ASP 48 N -4.03 4.49 -0.23 1.46 8.00 -1.22 -4.73 116.55 120.30 2dhk n ASP 48 Ca -0.02 -2.57 0.22 0.00 0.71 0.00 0.00 54.79 53.13 2dhk n ASP 48 Cb 0.51 -1.27 0.40 0.00 -0.02 0.00 0.00 41.12 40.74 2dhk n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhk n ALA 49 N 5.56 0.71 -2.09 2.24 0.00 -1.25 -3.97 120.51 121.71 2dhk n ALA 49 Ca 0.53 0.67 -0.43 0.00 0.00 0.00 0.00 53.44 54.21 2dhk n ALA 49 Cb 0.28 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.65 6.13 0.40 0.00 0.02 -1.26 -4.97 114.94 110.61 2dhk s ASN 50 Ca -0.06 1.34 -0.25 0.00 -1.02 0.00 0.00 52.86 52.86 2dhk s ASN 50 Cb 0.22 -2.53 -0.08 0.00 0.02 0.00 0.00 41.25 38.88 2dhk s ASN 50 CO 0.52 -1.51 1.19 -2.16 0.02 0.00 0.00 177.10 175.16 2dhk s PRO 51 N 5.21 4.04 -0.09 -0.60 0.04 -1.25 -4.85 135.00 137.50 2dhk s PRO 51 Ca 0.74 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 2dhk s PRO 51 Cb -0.22 -2.69 -0.21 0.00 0.04 0.00 0.00 34.50 31.42 2dhk s PRO 51 CO 0.32 -0.34 0.88 -0.07 0.04 0.00 0.00 177.00 177.83 2dhk h LEU 52 N 2.65 -0.04 -7.65 -3.56 3.38 -1.74 -3.48 115.31 104.87 2dhk h LEU 52 Ca -0.49 -0.66 -0.09 0.00 0.09 0.00 0.00 57.88 56.73 2dhk h LEU 52 Cb 1.24 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2dhk h LEU 52 CO 0.62 0.69 -0.30 -0.62 0.09 0.00 0.00 178.44 178.93 2dhk s ASP 53 N -5.87 -0.03 0.12 -0.43 2.15 -1.18 -5.03 116.67 106.39 2dhk s ASP 53 Ca -0.16 -0.37 0.09 0.00 0.43 0.00 0.00 52.55 52.55 2dhk s ASP 53 Cb -0.01 0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 2dhk s ASP 53 CO 0.60 -0.65 -0.22 -0.94 -0.17 0.00 0.00 175.17 173.79 2dhk s SER 54 N -2.34 2.76 -0.14 -0.34 1.04 -1.26 -2.05 113.70 111.37 2dhk s SER 54 Ca -0.02 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 2dhk s SER 54 Cb 0.01 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2dhk s SER 54 CO -0.06 0.08 -0.10 -0.63 0.98 0.00 0.00 173.24 173.50 2dhk s ILE 55 N -1.27 1.29 -0.46 -1.02 1.09 -0.05 -4.91 121.20 115.88 2dhk s ILE 55 Ca 0.10 -0.51 -0.27 0.00 -1.10 0.00 0.00 60.65 58.87 2dhk s ILE 55 Cb -0.09 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 2dhk s ILE 55 CO 0.05 0.37 1.91 -0.62 -0.10 0.00 0.00 174.94 176.55 2dhk s ASP 56 N 1.59 5.46 0.37 3.58 -1.08 -1.26 -1.40 116.67 123.93 2dhk s ASP 56 Ca 0.04 0.92 0.18 0.00 -0.52 0.00 0.00 52.55 53.17 2dhk s ASP 56 Cb -0.13 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.49 2dhk s ASP 56 CO -0.09 -2.12 1.74 -0.07 0.52 0.00 0.00 175.17 175.15 2dhk h LEU 57 N 15.51 0.00 -0.67 -1.34 3.38 -1.93 -3.19 115.31 127.07 2dhk h LEU 57 Ca -0.30 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.81 2dhk h LEU 57 Cb 1.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 2dhk h LEU 57 CO 1.12 0.38 -0.06 0.28 0.09 0.00 0.00 178.44 180.24 2dhk h SER 58 N 0.00 -0.43 -0.71 -0.43 0.02 -1.88 0.12 113.55 110.24 2dhk h SER 58 Ca -0.00 0.18 -0.43 0.00 -0.84 0.00 0.00 61.79 60.70 2dhk h SER 58 Cb 0.89 0.34 -0.25 0.00 0.14 0.00 0.00 62.40 63.52 2dhk h SER 58 CO 0.05 -0.17 0.20 -1.20 -1.14 0.00 0.00 176.83 174.56 2dhk n SER 59 N -5.36 4.32 -4.52 3.07 7.64 -1.22 -4.98 113.62 112.57 2dhk n SER 59 Ca 0.10 -3.75 -0.26 0.00 1.01 0.00 0.00 58.87 55.97 2dhk n SER 59 Cb 0.38 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 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 -3.45 2.80 -0.10 -0.43 0.00 0.03 -4.18 121.76 116.44 2dhk s ALA 60 Ca 0.53 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 2dhk s ALA 60 Cb 0.45 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2dhk s ALA 60 CO 0.03 0.42 -0.03 0.54 0.00 0.00 0.00 175.76 176.71 2dhk s VAL 61 N -1.83 0.69 -0.00 0.00 0.11 -0.18 -4.94 120.40 114.25 2dhk s VAL 61 Ca 0.25 -0.11 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 2dhk s VAL 61 Cb -0.08 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 2dhk s VAL 61 CO 0.14 0.29 0.68 -0.36 -3.33 0.00 0.00 175.10 172.52 2dhk s PHE 62 N 1.84 3.68 0.14 1.54 0.08 -1.26 -0.37 117.98 123.63 2dhk s PHE 62 Ca 0.05 1.31 0.01 0.00 0.12 0.00 0.00 56.93 58.42 2dhk s PHE 62 Cb -0.13 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.55 2dhk s PHE 62 CO -0.07 0.26 0.01 0.34 -0.10 0.00 0.00 175.22 175.66 2dhk s ASP 63 N 0.10 0.91 -0.17 1.36 2.15 0.13 -4.94 116.67 116.21 2dhk s ASP 63 Ca 0.35 -1.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.12 2dhk s ASP 63 Cb -0.19 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.57 2dhk s ASP 63 CO 0.20 -0.60 0.02 0.00 -0.17 0.00 0.00 175.17 174.61 2dhk s LYS 65 N 0.31 -1.82 0.10 0.00 -0.14 -1.07 -4.90 119.74 112.21 2dhk s LYS 65 Ca 0.01 0.14 -0.19 0.00 -1.36 0.00 0.00 55.97 54.57 2dhk s LYS 65 Cb -0.13 -1.51 -0.07 0.00 -1.68 0.00 0.00 37.83 34.45 2dhk s LYS 65 CO 0.01 -4.15 1.60 0.00 -0.76 0.00 0.00 175.35 172.05 2dhk h ALA 66 N -2.90 0.34 -0.19 5.17 0.00 -1.99 -2.78 119.26 116.90 2dhk h ALA 66 Ca -0.47 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 2dhk h ALA 66 Cb 1.32 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2dhk h ALA 66 CO 0.35 -0.01 0.16 -0.25 0.00 0.00 0.00 179.25 179.49 2dhk n ASP 67 N -4.72 4.92 -0.11 0.00 8.00 -1.26 -4.47 116.55 118.91 2dhk n ASP 67 Ca -0.03 -2.56 0.26 0.00 0.71 0.00 0.00 54.79 53.18 2dhk n ASP 67 Cb 0.17 -0.92 0.72 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.40 2.69 -1.46 2.24 0.00 -1.76 -0.94 119.26 121.42 2dhk h ALA 68 Ca 0.12 -0.03 0.44 0.00 0.00 0.00 0.00 54.91 55.44 2dhk h ALA 68 Cb 1.10 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2dhk h ALA 68 CO 0.28 -0.99 1.01 1.05 0.00 0.00 0.00 179.25 180.60 2dhk h GLU 69 N 0.00 0.07 0.13 0.00 -0.00 -1.88 1.05 114.58 113.95 2dhk h GLU 69 Ca 0.37 -0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.43 2dhk h GLU 69 Cb 1.54 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.28 2dhk h GLU 69 CO -0.00 0.04 -1.40 1.49 -0.00 0.00 0.00 179.01 179.15 2dhk h GLU 70 N 0.07 0.28 0.00 1.06 4.81 -1.56 -3.38 114.58 115.86 2dhk h GLU 70 Ca 0.78 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2dhk h GLU 70 Cb 2.77 0.18 0.00 0.00 0.63 0.00 0.00 28.75 32.33 2dhk h GLU 70 CO -0.20 1.19 0.00 0.41 -0.73 0.00 0.00 179.01 179.69 2dhk n GLY 71 N 1.61 0.49 3.35 1.92 0.00 0.36 -3.10 105.19 109.82 2dhk n GLY 71 Ca -0.13 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.20 2.06 0.34 -0.61 1.09 -1.25 -0.10 121.20 122.53 2dhk s ILE 72 Ca 0.00 -1.67 0.04 0.00 -1.10 0.00 0.00 60.65 57.92 2dhk s ILE 72 Cb 0.00 -1.84 -0.02 0.00 -1.06 0.00 0.00 42.46 39.54 2dhk s ILE 72 CO 0.00 0.05 0.37 0.72 -0.10 0.00 0.00 174.94 175.97 2dhk s PHE 73 N -1.09 1.52 -0.16 3.97 -0.71 -0.51 -2.60 117.98 118.40 2dhk s PHE 73 Ca 0.11 -1.54 -0.11 0.00 -1.04 0.00 0.00 56.93 54.35 2dhk s PHE 73 Cb -0.10 -0.47 0.05 0.00 -1.21 0.00 0.00 43.02 41.29 2dhk s PHE 73 CO 0.05 -0.99 0.41 -1.21 -1.34 0.00 0.00 175.22 172.14 2dhk s GLU 74 N -3.22 0.43 -0.45 1.99 2.02 0.23 -2.96 118.70 116.73 2dhk s GLU 74 Ca 0.37 0.70 -0.11 0.00 0.02 0.00 0.00 54.97 55.95 2dhk s GLU 74 Cb 0.01 0.09 0.10 0.00 0.10 0.00 0.00 34.13 34.42 2dhk s GLU 74 CO 0.26 -0.12 0.33 0.42 0.02 0.00 0.00 175.26 176.17 2dhk s ILE 75 N 0.89 4.44 -0.26 -1.63 1.01 -0.46 0.17 121.20 125.36 2dhk s ILE 75 Ca -0.05 -1.49 -0.28 0.00 0.00 0.00 0.00 60.65 58.83 2dhk s ILE 75 Cb -0.06 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2dhk s ILE 75 CO -0.07 -0.64 1.00 -0.54 0.00 0.00 0.00 174.94 174.69 2dhk s LYS 76 N 1.45 4.17 0.11 2.79 3.01 0.50 -2.19 119.74 129.57 2dhk s LYS 76 Ca 0.04 1.15 0.06 0.00 -1.01 0.00 0.00 55.97 56.21 2dhk s LYS 76 Cb -0.25 -3.68 -0.04 0.00 -1.01 0.00 0.00 37.83 32.86 2dhk s LYS 76 CO 0.02 -0.69 -0.14 0.95 0.51 0.00 0.00 175.35 176.00 2dhk s THR 77 N 3.25 1.26 -2.00 2.17 -4.23 -1.26 -1.01 115.64 113.82 2dhk s THR 77 Ca 0.42 -1.60 0.13 0.00 -1.18 0.00 0.00 61.69 59.46 2dhk s THR 77 Cb -0.14 -1.40 0.37 0.00 1.34 0.00 0.00 72.50 72.66 2dhk s THR 77 CO 0.09 -0.37 1.20 -0.81 -0.54 0.00 0.00 174.62 174.19 2dhk n PRO 78 N 0.74 0.49 -0.06 3.99 -0.04 -1.26 -3.28 135.00 135.58 2dhk n PRO 78 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2dhk n PRO 78 Cb 0.56 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2dhk n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dhk n SER 79 N -0.91 1.21 -3.64 3.54 7.64 -1.26 -5.07 113.62 115.12 2dhk n SER 79 Ca 0.10 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.13 2dhk n SER 79 Cb 0.04 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 2dhk n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhk s ARG 80 N -2.34 0.52 -0.02 1.43 1.70 -1.21 -5.14 118.95 113.90 2dhk s ARG 80 Ca -0.20 0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 55.65 2dhk s ARG 80 Cb 0.06 0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 2dhk s ARG 80 CO 0.26 -0.11 1.26 0.08 -1.08 0.00 0.00 175.30 175.71 2dhk s VAL 81 N 1.40 4.06 0.00 4.99 1.01 -1.26 -4.18 120.40 126.41 2dhk s VAL 81 Ca -0.09 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.33 2dhk s VAL 81 Cb -0.04 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2dhk s VAL 81 CO -0.16 0.02 -0.02 -0.63 0.00 0.00 0.00 175.10 174.30 2dhk s ILE 82 N 2.09 3.97 -0.25 2.22 -1.09 -0.93 -5.00 121.20 122.21 2dhk s ILE 82 Ca 0.59 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 58.35 2dhk s ILE 82 Cb -0.27 -2.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.91 2dhk s ILE 82 CO 0.24 0.37 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.37 2dhk s THR 83 N -1.06 1.78 0.25 2.92 2.01 -1.26 -1.35 115.64 118.93 2dhk s THR 83 Ca 0.19 -1.42 0.07 0.00 0.31 0.00 0.00 61.69 60.84 2dhk s THR 83 Cb -0.11 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 2dhk s THR 83 CO 0.09 -0.10 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.06 2dhk s LEU 84 N 1.27 2.52 0.06 4.42 1.43 -1.16 -1.58 118.68 125.64 2dhk s LEU 84 Ca -0.06 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2dhk s LEU 84 Cb -0.19 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2dhk s LEU 84 CO -0.06 -0.25 -0.05 -1.59 0.23 0.00 0.00 176.35 174.62 2dhk s LYS 85 N -3.68 0.60 0.54 1.70 -2.85 -1.17 -1.43 119.74 113.45 2dhk s LYS 85 Ca 0.27 -1.01 0.05 0.00 -1.00 0.00 0.00 55.97 54.29 2dhk s LYS 85 Cb 0.01 -0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2dhk s LYS 85 CO 0.10 -0.02 0.39 0.00 0.10 0.00 0.00 175.35 175.91 2dhk s ALA 86 N -2.63 4.43 0.05 0.59 0.00 0.86 -3.37 121.76 121.69 2dhk s ALA 86 Ca -0.01 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 2dhk s ALA 86 Cb -0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 23.12 22.27 2dhk s ALA 86 CO -0.04 -0.43 1.42 0.00 0.00 0.00 0.00 175.76 176.71 2dhk h ALA 87 N 0.77 -1.16 -1.75 0.00 0.00 -1.89 -3.44 119.26 111.79 2dhk h ALA 87 Ca -0.37 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 53.80 2dhk h ALA 87 Cb 1.30 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 19.47 2dhk h ALA 87 CO 0.58 -1.14 -0.51 0.95 0.00 0.00 0.00 179.25 179.13 2dhk s THR 88 N -5.17 0.51 0.29 0.00 -4.23 -1.26 -4.81 115.64 100.97 2dhk s THR 88 Ca -0.14 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.36 2dhk s THR 88 Cb 0.02 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.80 2dhk s THR 88 CO 0.45 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.95 2dhk h LYS 89 N 1.81 1.05 0.00 3.99 1.63 -1.74 -0.87 116.57 122.44 2dhk h LYS 89 Ca -0.34 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.30 2dhk h LYS 89 Cb 1.27 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 2dhk h LYS 89 CO 0.54 0.69 -0.45 1.96 -3.45 0.00 0.00 179.45 178.75 2dhk h GLN 90 N 1.08 0.00 0.50 1.90 7.50 -1.94 -3.04 115.11 121.10 2dhk h GLN 90 Ca 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.50 2dhk h GLN 90 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2dhk h GLN 90 CO -0.13 0.45 -0.24 0.00 -1.50 0.00 0.00 178.83 177.41 2dhk h ALA 91 N 1.55 -1.11 -0.81 3.87 0.00 -1.55 -3.06 119.26 118.16 2dhk h ALA 91 Ca -0.00 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.93 2dhk h ALA 91 Cb 0.88 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2dhk h ALA 91 CO 0.06 -1.06 0.31 0.00 0.00 0.00 0.00 179.25 178.56 2dhk h MET 92 N -0.71 0.39 -1.10 0.00 -0.00 -1.59 0.11 114.93 112.04 2dhk h MET 92 Ca -0.07 -0.02 0.32 0.00 -0.00 0.00 0.00 59.70 59.93 2dhk h MET 92 Cb 0.51 -0.09 -0.12 0.00 -0.00 0.00 0.00 31.60 31.91 2dhk h MET 92 CO 0.11 0.26 0.68 -0.07 -0.00 0.00 0.00 176.91 177.89 2dhk h LEU 93 N 0.40 0.44 -0.42 -0.10 3.38 -1.47 0.66 115.31 118.20 2dhk h LEU 93 Ca 0.47 0.13 -0.17 0.00 0.09 0.00 0.00 57.88 58.39 2dhk h LEU 93 Cb 0.79 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2dhk h LEU 93 CO -0.47 -0.03 -0.57 0.22 0.09 0.00 0.00 178.44 177.69 2dhk h TYR 94 N 0.32 0.86 0.14 1.13 3.20 -0.67 -1.97 116.97 119.97 2dhk h TYR 94 Ca 0.69 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2dhk h TYR 94 Cb 1.77 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.88 2dhk h TYR 94 CO -0.01 1.09 -0.07 -1.49 -1.64 0.00 0.00 178.16 176.04 2dhk h TRP 95 N 0.52 -0.17 -0.89 -3.82 4.06 0.26 -1.08 115.95 114.83 2dhk h TRP 95 Ca 0.01 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2dhk h TRP 95 Cb 1.14 0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 29.29 2dhk h TRP 95 CO 0.06 0.28 0.56 -0.07 -3.56 0.00 0.00 178.44 175.71 2dhk h LEU 96 N -0.74 0.86 0.50 -4.49 3.38 -0.61 0.44 115.31 114.65 2dhk h LEU 96 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dhk h LEU 96 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dhk h LEU 96 CO 0.03 0.54 -0.24 -0.61 0.09 0.00 0.00 178.44 178.25 2dhk h GLN 97 N 0.99 -0.64 0.50 1.13 5.75 -1.40 -3.20 115.11 118.25 2dhk h GLN 97 Ca 0.40 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 2dhk h GLN 97 Cb 0.22 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 2dhk h GLN 97 CO -0.19 -0.43 -0.48 1.96 -2.65 0.00 0.00 178.83 177.05 2dhk h GLN 98 N -0.95 -0.94 -0.71 1.69 1.08 -1.10 -2.14 115.11 112.04 2dhk h GLN 98 Ca -0.07 0.06 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 2dhk h GLN 98 Cb 0.51 0.21 -0.11 0.00 -0.05 0.00 0.00 27.48 28.04 2dhk h GLN 98 CO 0.11 -0.63 0.40 1.28 -0.95 0.00 0.00 178.83 179.04 2dhk n LEU 99 N -5.55 0.21 -0.01 1.46 4.77 0.15 0.22 117.00 118.26 2dhk n LEU 99 Ca -0.12 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 2dhk n LEU 99 Cb 0.45 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2dhk n LEU 99 CO 0.28 -1.17 0.67 1.56 -1.33 0.00 0.00 177.39 177.39 2dhk h GLN 100 N 0.00 0.01 -0.77 3.23 4.20 -1.38 -3.23 115.11 117.17 2dhk h GLN 100 Ca 0.56 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.40 2dhk h GLN 100 Cb 1.55 -0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.20 2dhk h GLN 100 CO -0.47 0.43 -0.27 -1.33 -0.67 0.00 0.00 178.83 176.53 2dhk n MET 101 N -4.88 -0.14 0.24 1.46 2.81 0.61 0.13 117.12 117.34 2dhk n MET 101 Ca -0.08 1.19 -0.16 0.00 -1.81 0.00 0.00 57.70 56.84 2dhk n MET 101 Cb 0.22 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.75 0.35 0.03 1.79 -1.57 -0.27 116.57 116.15 2dhk h LYS 102 Ca 0.30 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.81 2dhk h LYS 102 Cb 0.49 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2dhk h LYS 102 CO -0.78 -0.50 -0.17 -0.09 -1.08 0.00 0.00 179.45 176.84 2dhk h ARG 103 N -0.78 -0.45 -0.98 3.15 2.43 -0.30 -3.09 114.38 114.37 2dhk h ARG 103 Ca -0.03 0.03 0.41 0.00 -0.81 0.00 0.00 59.98 59.58 2dhk h ARG 103 Cb 0.69 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.17 2dhk h ARG 103 CO -0.05 -0.30 0.53 1.87 -1.51 0.00 0.00 179.97 180.51 2dhk n TRP 104 N -3.54 1.11 0.12 2.20 -0.00 0.34 0.08 117.44 117.76 2dhk n TRP 104 Ca -0.06 1.12 -0.14 0.00 -0.00 0.00 0.00 57.50 58.42 2dhk n TRP 104 Cb 0.19 -1.53 -0.07 0.00 -0.00 0.00 0.00 31.31 29.90 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 -0.61 -0.92 5.87 4.39 -0.95 0.11 114.58 122.46 2dhk h GLU 105 Ca 0.82 0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.73 2dhk h GLU 105 Cb 2.19 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 30.87 2dhk h GLU 105 CO -0.73 -0.40 0.51 0.35 -1.16 0.00 0.00 179.01 177.57 2dhk h PHE 106 N -0.63 0.89 0.58 4.33 3.57 -0.32 0.22 116.94 125.58 2dhk h PHE 106 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2dhk h PHE 106 Cb 0.65 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.15 2dhk h PHE 106 CO -0.34 0.19 -0.28 0.45 -2.23 0.00 0.00 178.31 176.10 2dhk h HIS 107 N 0.67 -0.72 -0.78 0.41 3.86 -1.07 -3.20 115.15 114.32 2dhk h HIS 107 Ca 0.52 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.87 2dhk h HIS 107 Cb 0.80 0.24 -0.10 0.00 1.06 0.00 0.00 27.41 29.40 2dhk h HIS 107 CO -0.06 -0.45 0.31 -0.91 0.86 0.00 0.00 177.93 177.69 2dhk h ASN 108 N -0.95 0.28 -0.73 2.45 -0.26 -0.48 -3.43 115.58 112.47 2dhk h ASN 108 Ca -0.08 0.12 -0.62 0.00 -0.56 0.00 0.00 56.30 55.16 2dhk h ASN 108 Cb 0.59 0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.97 2dhk h ASN 108 CO 0.13 0.08 0.39 -1.20 -1.06 0.00 0.00 177.43 175.77 2dhk n SER 109 N -5.01 0.66 -4.77 5.81 7.64 0.76 -4.84 113.62 113.85 2dhk n SER 109 Ca 0.16 0.86 -0.36 0.00 1.01 0.00 0.00 58.87 60.53 2dhk n SER 109 Cb 0.45 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.63 3.60 1.04 1.43 0.04 -1.26 -5.01 135.00 136.48 2dhk s PRO 110 Ca 0.74 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 2dhk s PRO 110 Cb -1.05 -2.25 0.26 0.00 0.04 0.00 0.00 34.50 31.50 2dhk s PRO 110 CO 0.55 -0.67 0.92 -0.35 0.04 0.00 0.00 177.00 177.50 2dhk n PRO 111 N -0.80 -2.83 -0.90 0.56 -0.04 -1.26 -4.92 135.00 124.81 2dhk n PRO 111 Ca 0.09 -1.48 -0.29 0.00 -0.04 0.00 0.00 63.50 61.79 2dhk n PRO 111 Cb 0.49 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -4.59 -2.55 -1.08 0.55 0.00 -1.26 -4.91 120.51 106.67 2dhk n ALA 112 Ca -0.17 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 2dhk n ALA 112 Cb 0.50 -1.02 0.24 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.70 -1.30 0.29 0.00 0.04 -1.26 -5.10 135.00 126.97 2dhk s PRO 113 Ca 0.41 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.25 2dhk s PRO 113 Cb -0.41 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dhk s PRO 113 CO 0.45 -3.76 0.51 -1.12 0.04 0.00 0.00 177.00 173.13 2dhk s SER 114 N -3.93 0.18 -0.14 6.66 0.01 -1.26 -5.12 113.70 110.11 2dhk s SER 114 Ca 0.71 -1.10 -0.40 0.00 1.31 0.00 0.00 55.95 56.48 2dhk s SER 114 Cb -0.09 0.63 -0.17 0.00 0.21 0.00 0.00 66.02 66.60 2dhk s SER 114 CO 0.56 -1.24 1.50 0.61 0.41 0.00 0.00 173.24 175.08 2dhk n GLY 115 N -0.44 0.51 0.00 3.44 0.00 -1.26 -4.78 105.19 102.66 2dhk n GLY 115 Ca -0.02 0.84 0.06 0.00 0.00 0.00 0.00 46.02 46.90 2dhk n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhk n PRO 116 N 3.74 0.49 -1.02 1.61 -0.04 -1.26 -4.89 135.00 133.62 2dhk n PRO 116 Ca 0.23 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 2dhk n PRO 116 Cb 0.13 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 2dhk n PRO 116 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dhk n SER 117 N -0.86 -0.86 -3.85 3.54 7.64 -1.26 -4.93 113.62 113.04 2dhk n SER 117 Ca 0.08 0.82 -0.30 0.00 1.01 0.00 0.00 58.87 60.49 2dhk n SER 117 Cb 0.04 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.40 2dhk n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhk s SER 118 N -0.69 4.16 0.00 6.43 0.15 -1.26 -5.23 113.70 117.26 2dhk s SER 118 Ca 0.48 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2dhk s SER 118 Cb -0.69 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2dhk s SER 118 CO 0.41 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.09