#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk h SER 2 N 0.00 -0.73 -2.85 1.61 0.87 -2.08 -3.43 113.55 106.95 2dhk h SER 2 Ca 0.00 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.02 2dhk h SER 2 Cb 0.00 0.19 0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2dhk h SER 2 CO 0.00 -0.42 0.86 -0.55 -0.53 0.00 0.00 176.83 176.19 2dhk s SER 3 N -4.52 6.65 -1.00 6.23 0.15 -1.26 -4.87 113.70 115.07 2dhk s SER 3 Ca -0.16 2.52 -0.07 0.00 0.70 0.00 0.00 55.95 58.94 2dhk s SER 3 Cb 0.02 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.63 2dhk s SER 3 CO 0.54 -0.79 2.74 0.61 1.20 0.00 0.00 173.24 177.54 2dhk n GLY 4 N 3.72 3.50 2.15 9.45 0.00 -1.26 -4.40 105.19 118.35 2dhk n GLY 4 Ca 0.14 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 2dhk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhk n SER 5 N 3.52 4.92 -4.35 1.61 2.88 -1.26 -5.00 113.62 115.93 2dhk n SER 5 Ca 0.58 -3.74 -0.38 0.00 -1.33 0.00 0.00 58.87 53.99 2dhk n SER 5 Cb 0.33 -0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 63.29 2dhk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dhk s SER 6 N -3.55 5.28 0.00 -3.46 0.01 -1.26 -4.83 113.70 105.89 2dhk s SER 6 Ca 0.50 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2dhk s SER 6 Cb 0.41 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2dhk s SER 6 CO -0.02 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dhk n GLY 7 N 4.89 0.00 3.52 3.44 0.00 -1.26 -5.09 105.19 110.69 2dhk n GLY 7 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.81 -0.12 1.61 1.02 -1.26 -4.98 119.74 119.82 2dhk s LYS 8 Ca 0.00 -1.81 -0.15 0.00 0.02 0.00 0.00 55.97 54.03 2dhk s LYS 8 Cb 0.00 -5.25 -0.05 0.00 -0.52 0.00 0.00 37.83 32.02 2dhk s LYS 8 CO 0.00 -2.03 0.37 0.21 -0.92 0.00 0.00 175.35 172.97 2dhk s LYS 9 N 3.55 4.19 -0.29 1.68 2.20 -1.26 -5.02 119.74 124.78 2dhk s LYS 9 Ca 0.45 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2dhk s LYS 9 Cb -0.01 -3.38 0.09 0.00 -1.51 0.00 0.00 37.83 33.02 2dhk s LYS 9 CO -0.03 0.31 0.05 -1.17 -0.36 0.00 0.00 175.35 174.16 2dhk s LEU 10 N 0.18 2.76 0.06 5.43 2.96 -1.26 -5.09 118.68 123.72 2dhk s LEU 10 Ca 0.21 -1.59 -0.05 0.00 -0.22 0.00 0.00 54.13 52.48 2dhk s LEU 10 Cb -0.14 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 2dhk s LEU 10 CO 0.08 -0.36 0.07 0.00 -1.32 0.00 0.00 176.35 174.82 2dhk n GLY 12 N 0.31 2.11 3.70 0.00 0.00 0.46 -4.99 105.19 106.77 2dhk n GLY 12 Ca -0.16 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.47 3.13 0.27 1.61 2.02 -1.26 -2.50 117.35 119.15 2dhk s TYR 13 Ca 0.00 1.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.76 2dhk s TYR 13 Cb 0.00 -3.58 -0.06 0.00 -0.40 0.00 0.00 41.96 37.93 2dhk s TYR 13 CO 0.00 -2.00 0.02 -0.51 -1.57 0.00 0.00 175.55 171.49 2dhk s LEU 14 N 1.77 2.18 -0.23 -1.29 1.43 -0.64 -4.84 118.68 117.06 2dhk s LEU 14 Ca 0.62 -1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2dhk s LEU 14 Cb -0.31 -0.34 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2dhk s LEU 14 CO 0.27 -0.54 -0.08 -0.44 0.23 0.00 0.00 176.35 175.79 2dhk s SER 15 N -3.39 4.09 -0.08 2.29 0.01 -1.22 -1.48 113.70 113.92 2dhk s SER 15 Ca 0.32 -0.65 -0.19 0.00 1.31 0.00 0.00 55.95 56.74 2dhk s SER 15 Cb 0.07 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 2dhk s SER 15 CO 0.12 -0.07 0.54 -0.75 0.41 0.00 0.00 173.24 173.49 2dhk s LYS 16 N 1.38 4.33 0.36 12.44 2.20 -0.66 -2.61 119.74 137.18 2dhk s LYS 16 Ca 0.03 0.58 -0.25 0.00 -0.36 0.00 0.00 55.97 55.97 2dhk s LYS 16 Cb -0.15 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 2dhk s LYS 16 CO -0.06 0.20 1.00 0.12 -0.36 0.00 0.00 175.35 176.26 2dhk s PHE 17 N 0.43 3.47 0.53 4.03 5.36 -0.88 -1.25 117.98 129.67 2dhk s PHE 17 Ca 0.29 1.70 -0.14 0.00 -0.96 0.00 0.00 56.93 57.82 2dhk s PHE 17 Cb -0.16 -3.02 -0.12 0.00 -0.34 0.00 0.00 43.02 39.37 2dhk s PHE 17 CO 0.13 -0.22 -0.28 0.41 -1.46 0.00 0.00 175.22 173.80 2dhk n GLY 18 N 0.40 -2.95 0.00 13.12 0.00 -0.76 -4.87 105.19 110.13 2dhk n GLY 18 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.26 -1.80 2.94 -0.02 0.00 -1.26 -4.81 105.19 102.49 2dhk n GLY 19 Ca 0.04 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.27 2dhk n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dhk n LYS 20 N -0.43 3.62 -3.84 1.61 3.00 -1.26 -4.91 118.16 115.95 2dhk n LYS 20 Ca 0.00 -3.59 -0.07 0.00 -0.00 0.00 0.00 58.31 54.65 2dhk n LYS 20 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 35.03 32.12 2dhk n LYS 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dhk s GLY 21 N 1.02 0.25 0.11 3.14 0.00 -1.26 -5.06 107.32 105.53 2dhk s GLY 21 Ca 0.40 -0.57 -0.14 0.00 0.00 0.00 0.00 44.72 44.41 2dhk s GLY 21 CO 0.01 0.72 1.44 -0.56 0.00 0.00 0.00 173.10 174.70 2dhk h PRO 22 N 2.00 0.78 -5.55 2.90 0.13 -2.05 -3.46 132.00 126.75 2dhk h PRO 22 Ca -0.30 -0.41 -0.64 0.00 -0.87 0.00 0.00 66.00 63.78 2dhk h PRO 22 Cb 1.24 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 2dhk h PRO 22 CO 0.38 1.04 -0.39 0.96 -0.23 0.00 0.00 178.00 179.76 2dhk s ILE 23 N -4.37 1.31 -0.10 -3.56 -0.00 -1.26 -5.14 121.20 108.08 2dhk s ILE 23 Ca -0.12 -1.72 0.02 0.00 -0.00 0.00 0.00 60.65 58.83 2dhk s ILE 23 Cb 0.09 -2.03 0.01 0.00 -0.00 0.00 0.00 42.46 40.53 2dhk s ILE 23 CO 0.85 0.00 -0.16 -0.60 -0.00 0.00 0.00 174.94 175.02 2dhk s ARG 24 N -4.13 2.27 -0.30 0.37 3.52 -1.26 -4.52 118.95 114.91 2dhk s ARG 24 Ca 0.18 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 2dhk s ARG 24 Cb -0.01 -1.87 0.19 0.00 -1.56 0.00 0.00 34.95 31.70 2dhk s ARG 24 CO 0.11 0.00 1.40 0.20 -0.81 0.00 0.00 175.30 176.20 2dhk s GLY 25 N 0.80 0.08 0.81 8.12 0.00 -1.26 -4.83 107.32 111.04 2dhk s GLY 25 Ca -0.11 2.79 -0.12 0.00 0.00 0.00 0.00 44.72 47.28 2dhk s GLY 25 CO 0.01 1.05 1.17 -0.98 0.00 0.00 0.00 173.10 174.36 2dhk s TRP 26 N -1.14 1.93 -0.13 1.90 0.52 -1.26 -1.83 118.94 118.93 2dhk s TRP 26 Ca 0.10 1.68 -0.06 0.00 0.02 0.00 0.00 56.10 57.84 2dhk s TRP 26 Cb -0.01 -3.37 0.06 0.00 -1.15 0.00 0.00 33.47 29.00 2dhk s TRP 26 CO -0.08 -2.60 0.29 0.21 0.02 0.00 0.00 176.95 174.80 2dhk s LYS 27 N -4.35 0.23 -0.15 4.98 2.47 -0.38 -4.89 119.74 117.65 2dhk s LYS 27 Ca 0.69 0.68 -0.29 0.00 -1.56 0.00 0.00 55.97 55.49 2dhk s LYS 27 Cb -0.25 -0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.06 2dhk s LYS 27 CO 0.52 -0.21 1.23 -1.12 0.16 0.00 0.00 175.35 175.93 2dhk s SER 28 N 1.75 6.98 0.17 1.43 0.01 -1.26 -1.65 113.70 121.14 2dhk s SER 28 Ca -0.05 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.84 2dhk s SER 28 Cb -0.11 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2dhk s SER 28 CO -0.10 -0.71 0.20 -0.13 0.41 0.00 0.00 173.24 172.91 2dhk s ARG 29 N 3.19 1.15 -0.12 12.44 0.52 -0.55 -5.01 118.95 130.57 2dhk s ARG 29 Ca 0.54 -1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 2dhk s ARG 29 Cb -0.22 0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 2dhk s ARG 29 CO 0.15 -0.39 0.37 -0.46 0.02 0.00 0.00 175.30 174.99 2dhk s TRP 30 N -4.04 3.53 -0.04 -0.53 -0.11 0.15 -1.61 118.94 116.28 2dhk s TRP 30 Ca 0.25 0.76 0.06 0.00 1.22 0.00 0.00 56.10 58.39 2dhk s TRP 30 Cb 0.05 -2.39 -0.01 0.00 -1.50 0.00 0.00 33.47 29.61 2dhk s TRP 30 CO 0.04 0.29 -0.22 -0.06 -4.62 0.00 0.00 176.95 172.39 2dhk s PHE 31 N 0.23 2.10 -0.07 5.86 0.40 -1.04 0.14 117.98 125.60 2dhk s PHE 31 Ca 0.21 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.86 2dhk s PHE 31 Cb -0.14 -1.38 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2dhk s PHE 31 CO 0.08 -0.14 0.33 -0.59 0.70 0.00 0.00 175.22 175.60 2dhk s PHE 32 N -0.24 -0.28 0.08 0.36 -0.12 0.25 -0.40 117.98 117.62 2dhk s PHE 32 Ca 0.01 0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 57.38 2dhk s PHE 32 Cb -0.11 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 2dhk s PHE 32 CO 0.02 -0.29 0.40 -0.47 -0.05 0.00 0.00 175.22 174.82 2dhk s TYR 33 N -0.59 3.58 -0.13 3.49 6.14 -0.31 -0.46 117.35 129.08 2dhk s TYR 33 Ca -0.07 0.78 -0.04 0.00 0.64 0.00 0.00 57.07 58.38 2dhk s TYR 33 Cb -0.04 -2.15 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 2dhk s TYR 33 CO 0.02 0.52 0.01 0.34 0.64 0.00 0.00 175.55 177.09 2dhk s ASP 34 N -1.75 5.24 -0.25 4.32 2.15 0.13 -4.74 116.67 121.77 2dhk s ASP 34 Ca 0.33 0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.50 2dhk s ASP 34 Cb -0.14 -1.69 0.79 0.00 -0.30 0.00 0.00 42.92 41.57 2dhk s ASP 34 CO 0.18 0.27 1.72 -1.84 -0.17 0.00 0.00 175.17 175.33 2dhk n GLU 35 N 2.86 4.60 -0.10 4.34 0.28 -1.26 -2.99 120.64 128.36 2dhk n GLU 35 Ca -0.18 -3.04 -0.17 0.00 -0.16 0.00 0.00 57.16 53.61 2dhk n GLU 35 Cb 0.53 -2.24 -0.09 0.00 1.43 0.00 0.00 31.44 31.07 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 0.48 0.50 -0.12 3.44 1.74 -1.26 -4.68 116.66 116.75 2dhk n ARG 36 Ca 0.29 0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.56 2dhk n ARG 36 Cb 1.21 -1.37 0.07 0.00 -1.02 0.00 0.00 32.46 31.34 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 -3.34 1.37 -4.05 5.56 5.02 -1.26 -4.99 118.16 116.47 2dhk n LYS 37 Ca -0.38 -1.84 -0.32 0.00 -2.02 0.00 0.00 58.31 53.75 2dhk n LYS 37 Cb 0.86 -1.11 -0.00 0.00 -0.02 0.00 0.00 35.03 34.77 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 -6.73 1.45 -0.49 0.00 -0.21 -1.21 -3.99 119.66 108.47 2dhk s GLN 39 Ca 0.62 -1.46 -0.18 0.00 0.02 0.00 0.00 55.36 54.36 2dhk s GLN 39 Cb -0.33 -1.78 0.06 0.00 1.00 0.00 0.00 33.01 31.96 2dhk s GLN 39 CO 0.88 0.39 0.57 -1.17 -2.12 0.00 0.00 175.29 173.84 2dhk s LEU 40 N -2.51 5.08 -0.18 2.90 2.96 -0.33 -0.69 118.68 125.90 2dhk s LEU 40 Ca 0.18 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 2dhk s LEU 40 Cb -0.08 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2dhk s LEU 40 CO 0.08 -0.83 0.17 -0.31 -1.32 0.00 0.00 176.35 174.15 2dhk s TYR 41 N 2.42 3.44 -0.00 5.38 1.51 0.39 -0.90 117.35 129.58 2dhk s TYR 41 Ca 0.13 0.41 0.04 0.00 -1.01 0.00 0.00 57.07 56.64 2dhk s TYR 41 Cb -0.20 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 2dhk s TYR 41 CO 0.11 0.31 -0.12 1.52 -1.11 0.00 0.00 175.55 176.26 2dhk s TYR 42 N 0.27 1.09 0.36 2.71 -0.85 -0.81 -0.59 117.35 119.54 2dhk s TYR 42 Ca 0.11 -0.23 0.07 0.00 -0.52 0.00 0.00 57.07 56.49 2dhk s TYR 42 Cb -0.12 -0.69 -0.02 0.00 0.38 0.00 0.00 41.96 41.51 2dhk s TYR 42 CO -0.00 -0.01 0.24 0.45 -1.52 0.00 0.00 175.55 174.71 2dhk n SER 43 N 2.63 -0.06 -0.13 -0.18 2.88 0.12 -2.03 113.62 116.85 2dhk n SER 43 Ca -0.15 -3.23 -0.05 0.00 -1.33 0.00 0.00 58.87 54.12 2dhk n SER 43 Cb 0.56 1.48 0.14 0.00 -0.75 0.00 0.00 64.21 65.64 2dhk n SER 43 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dhk h ARG 44 N 0.00 0.85 -4.65 -1.46 3.08 -1.90 0.44 114.38 110.74 2dhk h ARG 44 Ca -0.27 -0.23 -0.26 0.00 0.07 0.00 0.00 59.98 59.29 2dhk h ARG 44 Cb 1.23 -0.10 -0.15 0.00 0.08 0.00 0.00 29.97 31.03 2dhk h ARG 44 CO 0.40 0.84 -0.62 0.95 -1.07 0.00 0.00 179.97 180.47 2dhk s THR 45 N -5.03 0.17 -0.36 2.04 -4.23 -1.26 -3.66 115.64 103.30 2dhk s THR 45 Ca -0.10 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.64 2dhk s THR 45 Cb 0.15 -2.46 0.24 0.00 1.34 0.00 0.00 72.50 71.77 2dhk s THR 45 CO 0.82 -0.07 1.50 0.00 -0.54 0.00 0.00 174.62 176.32 2dhk h ALA 46 N 2.60 0.88 -0.01 3.99 0.00 -1.93 -3.15 119.26 121.64 2dhk h ALA 46 Ca -0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dhk h ALA 46 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dhk h ALA 46 CO 0.56 0.12 -0.04 1.04 0.00 0.00 0.00 179.25 180.93 2dhk n GLN 47 N -3.07 1.32 -2.65 0.00 1.13 -1.26 -4.73 117.38 108.12 2dhk n GLN 47 Ca 0.03 -0.63 -0.42 0.00 -1.94 0.00 0.00 57.00 54.04 2dhk n GLN 47 Cb 0.57 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.40 2dhk n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dhk s ASP 48 N -2.11 6.30 0.56 1.08 1.01 -1.19 -4.85 116.67 117.47 2dhk s ASP 48 Ca 0.37 -0.98 0.26 0.00 0.71 0.00 0.00 52.55 52.92 2dhk s ASP 48 Cb 0.21 -2.52 1.52 0.00 1.01 0.00 0.00 42.92 43.15 2dhk s ASP 48 CO 0.38 -1.60 2.06 0.00 0.21 0.00 0.00 175.17 176.22 2dhk h ALA 49 N 9.76 2.05 -2.12 5.23 0.00 -1.90 -3.35 119.26 128.93 2dhk h ALA 49 Ca -0.11 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.06 2dhk h ALA 49 Cb 1.04 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.63 2dhk h ALA 49 CO 1.28 -0.39 -0.15 -0.80 0.00 0.00 0.00 179.25 179.20 2dhk s ASN 50 N -6.03 6.18 0.24 0.00 0.01 -1.26 -5.05 114.94 109.03 2dhk s ASN 50 Ca -0.05 -1.44 -0.30 0.00 -0.71 0.00 0.00 52.86 50.36 2dhk s ASN 50 Cb 0.17 -2.23 -0.09 0.00 0.41 0.00 0.00 41.25 39.50 2dhk s ASN 50 CO 0.61 -0.85 1.27 -2.16 -1.51 0.00 0.00 177.10 174.47 2dhk s PRO 51 N 1.98 4.42 0.09 -0.60 0.04 -1.26 -4.89 135.00 134.78 2dhk s PRO 51 Ca 0.07 2.05 -0.32 0.00 0.04 0.00 0.00 61.00 62.84 2dhk s PRO 51 Cb -0.25 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 30.98 2dhk s PRO 51 CO 0.06 -0.17 1.60 -0.07 0.04 0.00 0.00 177.00 178.47 2dhk h LEU 52 N 4.66 -1.02 -8.20 -3.56 3.38 -1.77 -3.47 115.31 105.32 2dhk h LEU 52 Ca -0.46 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2dhk h LEU 52 Cb 1.22 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 2dhk h LEU 52 CO 0.73 -0.54 -0.04 -0.62 0.09 0.00 0.00 178.44 178.05 2dhk s ASP 53 N -4.52 -0.05 0.20 -0.43 2.15 -1.16 -5.05 116.67 107.81 2dhk s ASP 53 Ca -0.17 -0.92 0.04 0.00 0.43 0.00 0.00 52.55 51.93 2dhk s ASP 53 Cb 0.05 0.63 -0.05 0.00 -0.30 0.00 0.00 42.92 43.25 2dhk s ASP 53 CO 0.62 -1.21 -0.04 -0.94 -0.17 0.00 0.00 175.17 173.43 2dhk s SER 54 N -3.02 1.85 -0.05 -0.34 1.04 -1.26 -1.93 113.70 110.00 2dhk s SER 54 Ca 0.21 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.51 2dhk s SER 54 Cb -0.02 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2dhk s SER 54 CO 0.09 -0.43 -0.06 -0.63 0.98 0.00 0.00 173.24 173.19 2dhk s ILE 55 N -3.37 0.65 -0.60 -1.02 1.09 -0.08 -4.93 121.20 112.94 2dhk s ILE 55 Ca 0.24 -0.19 -0.27 0.00 -1.10 0.00 0.00 60.65 59.33 2dhk s ILE 55 Cb 0.04 -0.65 0.00 0.00 -1.06 0.00 0.00 42.46 40.79 2dhk s ILE 55 CO 0.06 0.25 1.54 -0.62 -0.10 0.00 0.00 174.94 176.07 2dhk s ASP 56 N 0.87 5.86 0.09 3.58 2.15 -1.26 -1.19 116.67 126.77 2dhk s ASP 56 Ca -0.12 0.19 0.04 0.00 0.43 0.00 0.00 52.55 53.09 2dhk s ASP 56 Cb -0.15 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.70 2dhk s ASP 56 CO 0.01 -1.94 1.17 -0.07 -0.17 0.00 0.00 175.17 174.16 2dhk h LEU 57 N 14.14 0.14 -1.60 -1.34 3.38 -1.93 -3.24 115.31 124.86 2dhk h LEU 57 Ca -0.27 -0.16 0.30 0.00 0.09 0.00 0.00 57.88 57.84 2dhk h LEU 57 Cb 1.11 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2dhk h LEU 57 CO 1.20 1.13 0.99 0.77 0.09 0.00 0.00 178.44 182.62 2dhk h SER 58 N 0.02 0.00 -0.44 -0.43 4.64 -1.88 0.30 113.55 115.76 2dhk h SER 58 Ca -0.08 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.94 2dhk h SER 58 Cb 1.86 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.57 2dhk h SER 58 CO 0.15 0.00 -0.99 -1.20 -0.87 0.00 0.00 176.83 173.92 2dhk n SER 59 N -3.63 2.42 -4.37 4.97 7.64 -1.24 -4.99 113.62 114.43 2dhk n SER 59 Ca 0.23 -2.60 -0.30 0.00 1.01 0.00 0.00 58.87 57.21 2dhk n SER 59 Cb 1.32 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 63.96 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 -3.27 2.32 -0.21 -0.43 0.00 0.11 -4.22 121.76 116.06 2dhk s ALA 60 Ca 0.35 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 2dhk s ALA 60 Cb 0.36 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2dhk s ALA 60 CO -0.04 0.54 -0.14 0.54 0.00 0.00 0.00 175.76 176.67 2dhk s VAL 61 N -0.91 2.48 -0.26 0.00 0.11 0.70 -4.94 120.40 117.58 2dhk s VAL 61 Ca 0.13 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 58.02 2dhk s VAL 61 Cb -0.10 -2.14 -0.00 0.00 -1.53 0.00 0.00 36.38 32.61 2dhk s VAL 61 CO 0.04 0.41 0.81 -0.36 -3.33 0.00 0.00 175.10 172.66 2dhk s PHE 62 N 1.32 3.28 0.33 1.54 0.08 -1.26 -0.17 117.98 123.10 2dhk s PHE 62 Ca 0.03 1.05 0.09 0.00 0.12 0.00 0.00 56.93 58.22 2dhk s PHE 62 Cb -0.14 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.18 2dhk s PHE 62 CO -0.09 -0.43 -0.03 0.34 -0.10 0.00 0.00 175.22 174.91 2dhk s ASP 63 N 1.41 4.03 -0.13 1.36 2.15 0.69 -4.96 116.67 121.21 2dhk s ASP 63 Ca 0.34 -1.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.22 2dhk s ASP 63 Cb -0.15 -0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 41.96 2dhk s ASP 63 CO 0.08 -0.20 0.06 0.00 -0.17 0.00 0.00 175.17 174.94 2dhk s LYS 65 N -0.39 -0.39 0.25 0.00 -0.14 0.11 -4.89 119.74 114.29 2dhk s LYS 65 Ca 0.09 0.41 0.05 0.00 -1.36 0.00 0.00 55.97 55.16 2dhk s LYS 65 Cb -0.12 -1.65 0.30 0.00 -1.68 0.00 0.00 37.83 34.68 2dhk s LYS 65 CO 0.02 -3.26 1.60 0.00 -0.76 0.00 0.00 175.35 172.95 2dhk h ALA 66 N -2.27 0.92 -0.86 5.17 0.00 -1.99 -2.95 119.26 117.28 2dhk h ALA 66 Ca -0.54 -0.50 -0.41 0.00 0.00 0.00 0.00 54.91 53.46 2dhk h ALA 66 Cb 1.33 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 2dhk h ALA 66 CO 0.51 0.69 0.52 -0.25 0.00 0.00 0.00 179.25 180.72 2dhk n ASP 67 N -3.92 3.90 0.03 0.00 8.00 -1.26 -4.61 116.55 118.69 2dhk n ASP 67 Ca -0.02 -3.38 0.20 0.00 0.71 0.00 0.00 54.79 52.30 2dhk n ASP 67 Cb 0.58 -0.79 0.50 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.45 2.37 -1.75 2.24 0.00 -1.73 -0.51 119.26 121.32 2dhk h ALA 68 Ca 0.50 -0.02 0.51 0.00 0.00 0.00 0.00 54.91 55.90 2dhk h ALA 68 Cb 2.59 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 20.36 2dhk h ALA 68 CO 0.93 -1.14 1.27 1.05 0.00 0.00 0.00 179.25 181.37 2dhk h GLU 69 N 0.00 0.00 0.00 0.00 4.11 -1.88 1.90 114.58 118.71 2dhk h GLU 69 Ca 0.27 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.51 2dhk h GLU 69 Cb 1.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 2dhk h GLU 69 CO -0.00 0.00 -1.71 -1.91 0.07 0.00 0.00 179.01 175.45 2dhk n GLU 70 N -3.97 0.64 0.00 1.06 2.13 -0.20 -4.47 120.64 115.83 2dhk n GLU 70 Ca 0.39 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2dhk n GLU 70 Cb 1.81 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 31.82 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 1.45 0.65 3.20 8.31 0.00 0.65 -2.78 105.19 116.65 2dhk n GLY 71 Ca -0.14 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.78 1.85 0.40 -0.61 1.09 -1.25 -1.06 121.20 120.83 2dhk s ILE 72 Ca 0.00 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.68 2dhk s ILE 72 Cb 0.00 -1.59 -0.02 0.00 -1.06 0.00 0.00 42.46 39.79 2dhk s ILE 72 CO 0.00 0.51 0.16 0.72 -0.10 0.00 0.00 174.94 176.24 2dhk s PHE 73 N 0.20 1.77 -0.15 3.97 -0.71 -0.86 -0.71 117.98 121.49 2dhk s PHE 73 Ca -0.12 -1.38 -0.08 0.00 -1.04 0.00 0.00 56.93 54.30 2dhk s PHE 73 Cb -0.16 -1.07 0.05 0.00 -1.21 0.00 0.00 43.02 40.64 2dhk s PHE 73 CO 0.06 -0.43 0.37 -1.21 -1.34 0.00 0.00 175.22 172.67 2dhk s GLU 74 N -3.64 0.35 -0.49 1.99 2.02 0.42 -2.77 118.70 116.58 2dhk s GLU 74 Ca 0.26 0.72 -0.18 0.00 0.02 0.00 0.00 54.97 55.79 2dhk s GLU 74 Cb 0.02 -0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.27 2dhk s GLU 74 CO 0.17 -0.16 0.53 0.42 0.02 0.00 0.00 175.26 176.24 2dhk s ILE 75 N 1.32 5.02 -0.22 -1.63 1.01 0.78 -0.23 121.20 127.27 2dhk s ILE 75 Ca -0.09 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2dhk s ILE 75 Cb -0.09 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 2dhk s ILE 75 CO -0.11 -0.69 0.87 -0.54 0.00 0.00 0.00 174.94 174.47 2dhk s LYS 76 N 2.23 4.24 0.10 2.79 1.02 0.75 -0.83 119.74 130.04 2dhk s LYS 76 Ca 0.11 1.05 0.06 0.00 0.02 0.00 0.00 55.97 57.21 2dhk s LYS 76 Cb -0.21 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 2dhk s LYS 76 CO 0.10 -0.48 -0.14 0.95 -0.92 0.00 0.00 175.35 174.86 2dhk s THR 77 N 2.69 1.25 -2.00 2.17 -4.23 -1.26 -0.22 115.64 114.05 2dhk s THR 77 Ca 0.38 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 2dhk s THR 77 Cb -0.16 -1.37 0.22 0.00 1.34 0.00 0.00 72.50 72.53 2dhk s THR 77 CO 0.09 -0.35 0.91 -0.81 -0.54 0.00 0.00 174.62 173.92 2dhk n PRO 78 N 0.80 0.49 -0.01 3.99 -0.04 -1.26 -3.14 135.00 135.83 2dhk n PRO 78 Ca -0.18 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 2dhk n PRO 78 Cb 0.56 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.74 1.21 -3.49 3.54 7.64 -1.26 -5.07 113.62 115.44 2dhk n SER 79 Ca 0.06 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2dhk n SER 79 Cb 0.03 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.05 0.39 -0.23 1.43 1.70 -1.19 -5.13 118.95 113.88 2dhk s ARG 80 Ca -0.03 0.96 -0.29 0.00 -0.47 0.00 0.00 55.73 55.89 2dhk s ARG 80 Cb 0.01 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.93 2dhk s ARG 80 CO 0.05 -0.13 1.37 0.08 -1.08 0.00 0.00 175.30 175.59 2dhk s VAL 81 N 2.51 4.07 0.21 4.99 1.01 -1.26 -4.12 120.40 127.81 2dhk s VAL 81 Ca -0.04 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.19 2dhk s VAL 81 Cb -0.08 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2dhk s VAL 81 CO -0.18 -0.32 0.38 -0.63 0.00 0.00 0.00 175.10 174.35 2dhk s ILE 82 N 4.26 5.24 -0.21 2.22 -1.09 -0.01 -4.95 121.20 126.66 2dhk s ILE 82 Ca 0.60 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 2dhk s ILE 82 Cb -0.21 -3.78 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 2dhk s ILE 82 CO 0.22 -0.23 0.03 -0.89 -1.23 0.00 0.00 174.94 172.84 2dhk s THR 83 N -1.91 0.71 0.11 2.92 2.01 -1.26 -0.15 115.64 118.06 2dhk s THR 83 Ca 0.37 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.71 2dhk s THR 83 Cb -0.10 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2dhk s THR 83 CO 0.30 -0.23 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.04 2dhk s LEU 84 N 1.77 2.32 0.21 4.42 1.43 -1.12 -2.07 118.68 125.63 2dhk s LEU 84 Ca -0.01 -0.70 0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2dhk s LEU 84 Cb -0.17 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 2dhk s LEU 84 CO -0.09 0.03 -0.22 -1.59 0.23 0.00 0.00 176.35 174.71 2dhk s LYS 85 N -2.02 1.51 0.54 1.70 -2.85 -1.07 -2.03 119.74 115.52 2dhk s LYS 85 Ca 0.07 -1.56 0.06 0.00 -1.00 0.00 0.00 55.97 53.54 2dhk s LYS 85 Cb -0.09 -1.74 0.04 0.00 -2.06 0.00 0.00 37.83 33.97 2dhk s LYS 85 CO 0.04 0.36 0.46 0.00 0.10 0.00 0.00 175.35 176.31 2dhk s ALA 86 N -1.93 4.44 0.09 0.59 0.00 -0.23 -3.45 121.76 121.28 2dhk s ALA 86 Ca 0.22 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2dhk s ALA 86 Cb -0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 23.12 22.07 2dhk s ALA 86 CO 0.10 -0.49 1.63 0.00 0.00 0.00 0.00 175.76 177.01 2dhk h ALA 87 N 0.69 -0.65 -1.75 0.00 0.00 -1.88 -3.45 119.26 112.22 2dhk h ALA 87 Ca -0.36 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 2dhk h ALA 87 Cb 1.30 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2dhk h ALA 87 CO 0.55 -0.89 -0.49 0.95 0.00 0.00 0.00 179.25 179.36 2dhk s THR 88 N -6.05 0.44 0.15 0.00 -4.23 -1.26 -4.90 115.64 99.80 2dhk s THR 88 Ca -0.16 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.19 2dhk s THR 88 Cb 0.06 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.62 2dhk s THR 88 CO 0.64 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.99 2dhk h LYS 89 N 1.77 0.61 0.00 3.99 1.63 -1.74 -1.95 116.57 120.88 2dhk h LYS 89 Ca -0.33 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.40 2dhk h LYS 89 Cb 1.27 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2dhk h LYS 89 CO 0.52 0.46 -0.05 0.37 -3.45 0.00 0.00 179.45 177.29 2dhk h GLN 90 N 0.59 0.00 0.14 1.90 4.15 -1.92 -3.20 115.11 116.78 2dhk h GLN 90 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2dhk h GLN 90 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2dhk h GLN 90 CO -0.03 0.05 -0.07 0.00 -1.93 0.00 0.00 178.83 176.85 2dhk h ALA 91 N 1.95 -0.19 -0.76 3.38 0.00 -1.74 -2.95 119.26 118.95 2dhk h ALA 91 Ca -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2dhk h ALA 91 Cb 0.63 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 2dhk h ALA 91 CO 0.01 -0.56 0.37 0.00 0.00 0.00 0.00 179.25 179.08 2dhk h MET 92 N -0.30 0.58 -0.91 0.00 -0.00 -1.52 -1.52 114.93 111.26 2dhk h MET 92 Ca -0.02 -0.03 0.25 0.00 -0.00 0.00 0.00 59.70 59.90 2dhk h MET 92 Cb 0.24 -0.13 -0.15 0.00 -0.00 0.00 0.00 31.60 31.55 2dhk h MET 92 CO 0.03 0.38 0.19 -0.07 -0.00 0.00 0.00 176.91 177.44 2dhk h LEU 93 N 0.60 -0.13 -0.71 -0.10 -0.00 -1.60 0.64 115.31 114.01 2dhk h LEU 93 Ca 0.39 0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 58.46 2dhk h LEU 93 Cb 0.48 0.33 -0.03 0.00 -0.00 0.00 0.00 40.66 41.44 2dhk h LEU 93 CO -0.31 -0.23 0.30 0.22 -0.00 0.00 0.00 178.44 178.42 2dhk h TYR 94 N 0.13 1.06 0.23 1.13 3.20 -1.31 0.15 116.97 121.56 2dhk h TYR 94 Ca 0.58 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 2dhk h TYR 94 Cb 1.21 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2dhk h TYR 94 CO -0.32 0.81 -0.11 -1.49 -1.64 0.00 0.00 178.16 175.41 2dhk h TRP 95 N 1.00 -0.28 -1.01 -3.82 4.06 0.15 0.14 115.95 116.19 2dhk h TRP 95 Ca 0.24 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.20 2dhk h TRP 95 Cb 0.18 0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.38 2dhk h TRP 95 CO 0.01 0.06 0.67 -0.07 -3.56 0.00 0.00 178.44 175.55 2dhk h LEU 96 N -0.66 1.15 0.28 -4.49 3.38 -0.55 0.36 115.31 114.78 2dhk h LEU 96 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2dhk h LEU 96 Cb 0.47 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dhk h LEU 96 CO 0.05 0.82 -0.13 -0.61 0.09 0.00 0.00 178.44 178.66 2dhk h GLN 97 N 1.35 -0.36 0.94 1.13 5.75 -0.68 -3.12 115.11 120.12 2dhk h GLN 97 Ca 0.38 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.85 2dhk h GLN 97 Cb -0.13 0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.51 2dhk h GLN 97 CO -0.09 -0.02 -0.45 1.96 -2.65 0.00 0.00 178.83 177.58 2dhk h GLN 98 N -0.80 -1.21 -0.73 1.69 1.08 -0.59 -2.93 115.11 111.62 2dhk h GLN 98 Ca -0.04 0.08 0.20 0.00 -1.45 0.00 0.00 58.65 57.44 2dhk h GLN 98 Cb 0.51 0.28 -0.14 0.00 -0.05 0.00 0.00 27.48 28.08 2dhk h GLN 98 CO 0.06 -0.81 0.00 1.28 -0.95 0.00 0.00 178.83 178.42 2dhk n LEU 99 N -5.52 -0.10 0.26 1.46 4.77 0.13 0.98 117.00 118.98 2dhk n LEU 99 Ca -0.16 1.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.90 2dhk n LEU 99 Cb 0.50 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2dhk n LEU 99 CO 0.38 -1.25 0.71 1.56 -1.33 0.00 0.00 177.39 177.46 2dhk h GLN 100 N 0.00 -0.60 -0.73 3.23 4.20 -1.45 -2.79 115.11 116.97 2dhk h GLN 100 Ca 0.43 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.40 2dhk h GLN 100 Cb 0.88 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 28.66 2dhk h GLN 100 CO -0.69 -0.40 0.06 -1.33 -0.67 0.00 0.00 178.83 175.80 2dhk n MET 101 N -5.36 -0.06 0.12 1.46 2.81 0.28 0.13 117.12 116.50 2dhk n MET 101 Ca -0.11 1.08 -0.14 0.00 -1.81 0.00 0.00 57.70 56.72 2dhk n MET 101 Cb 0.27 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.96 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 -0.24 0.62 0.03 1.79 -1.37 0.93 116.57 118.32 2dhk h LYS 102 Ca 0.46 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.92 2dhk h LYS 102 Cb 1.00 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.71 2dhk h LYS 102 CO -0.67 -0.10 -0.30 -0.09 -1.08 0.00 0.00 179.45 177.21 2dhk h ARG 103 N -0.33 -0.80 -0.98 3.15 2.43 0.12 -2.96 114.38 115.00 2dhk h ARG 103 Ca -0.03 0.05 0.22 0.00 -0.81 0.00 0.00 59.98 59.42 2dhk h ARG 103 Cb 0.25 0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 29.87 2dhk h ARG 103 CO 0.04 -0.51 0.57 2.35 -1.51 0.00 0.00 179.97 180.92 2dhk h TRP 104 N -1.17 0.98 -0.30 2.20 7.01 0.01 -0.23 115.95 124.45 2dhk h TRP 104 Ca -0.09 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.00 2dhk h TRP 104 Cb 0.67 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 2dhk h TRP 104 CO 0.00 0.12 -0.01 0.93 -2.79 0.00 0.00 178.44 176.70 2dhk h GLU 105 N 0.63 0.08 -0.68 2.65 4.39 -0.78 -0.50 114.58 120.37 2dhk h GLU 105 Ca 0.60 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.36 2dhk h GLU 105 Cb 1.06 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.64 2dhk h GLU 105 CO -0.44 0.05 0.38 0.35 -1.16 0.00 0.00 179.01 178.19 2dhk h PHE 106 N 0.08 0.70 -0.15 4.33 3.57 -0.88 0.32 116.94 124.92 2dhk h PHE 106 Ca 0.15 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2dhk h PHE 106 Cb 0.20 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2dhk h PHE 106 CO -0.23 0.34 0.08 0.45 -2.23 0.00 0.00 178.31 176.72 2dhk h HIS 107 N 0.70 0.20 0.27 0.41 3.86 -1.00 -3.13 115.15 116.46 2dhk h HIS 107 Ca 0.31 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2dhk h HIS 107 Cb 0.19 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2dhk h HIS 107 CO -0.08 0.21 -0.13 -0.91 0.86 0.00 0.00 177.93 177.88 2dhk h ASN 108 N 0.14 -0.30 -3.79 2.45 -0.26 -0.64 -3.42 115.58 109.76 2dhk h ASN 108 Ca 0.05 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.31 2dhk h ASN 108 Cb 0.07 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 2dhk h ASN 108 CO -0.01 -0.21 0.38 -0.94 -1.06 0.00 0.00 177.43 175.59 2dhk s SER 109 N -4.88 7.49 0.58 5.81 1.04 0.06 -5.03 113.70 118.77 2dhk s SER 109 Ca -0.15 2.02 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 2dhk s SER 109 Cb 0.05 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2dhk s SER 109 CO 0.64 0.04 1.12 -2.16 0.98 0.00 0.00 173.24 173.86 2dhk s PRO 110 N -1.39 3.16 0.42 4.02 0.04 -1.26 -4.75 135.00 135.23 2dhk s PRO 110 Ca 0.43 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.76 2dhk s PRO 110 Cb -0.26 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2dhk s PRO 110 CO 0.33 -0.99 1.18 -1.25 0.04 0.00 0.00 177.00 176.31 2dhk s PRO 111 N -3.58 3.94 0.41 0.56 0.04 -1.26 -4.99 135.00 130.12 2dhk s PRO 111 Ca 0.71 1.85 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 2dhk s PRO 111 Cb -0.23 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 2dhk s PRO 111 CO 0.32 -0.42 1.25 0.00 0.04 0.00 0.00 177.00 178.19 2dhk s ALA 112 N -1.44 3.20 -0.61 8.56 0.00 -1.26 -4.92 121.76 125.29 2dhk s ALA 112 Ca 0.59 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 2dhk s ALA 112 Cb -0.31 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 2dhk s ALA 112 CO 0.38 -0.72 1.86 -1.25 0.00 0.00 0.00 175.76 176.03 2dhk s PRO 113 N -2.28 2.64 -0.13 0.00 0.04 -1.26 -4.97 135.00 129.04 2dhk s PRO 113 Ca 0.57 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2dhk s PRO 113 Cb -0.35 -4.39 -0.05 0.00 0.04 0.00 0.00 34.50 29.76 2dhk s PRO 113 CO 0.45 -2.72 0.22 0.45 0.04 0.00 0.00 177.00 175.43 2dhk s SER 114 N 8.06 6.43 -0.00 6.66 0.15 -1.26 -5.04 113.70 128.71 2dhk s SER 114 Ca 0.67 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.83 2dhk s SER 114 Cb -0.13 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2dhk s SER 114 CO 0.21 0.27 0.41 1.23 1.20 0.00 0.00 173.24 176.56 2dhk h GLY 115 N 5.69 -0.04 -6.54 9.45 0.00 -2.06 -3.43 103.07 106.15 2dhk h GLY 115 Ca -0.48 0.01 -0.57 0.00 0.00 0.00 0.00 47.33 46.29 2dhk h GLY 115 CO 0.67 -0.01 1.18 2.56 0.00 0.00 0.00 176.54 180.94 2dhk s PRO 116 N -1.88 3.56 -0.13 4.80 0.04 -1.26 -4.99 135.00 135.14 2dhk s PRO 116 Ca -0.00 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.52 2dhk s PRO 116 Cb 0.00 -4.11 0.01 0.00 0.04 0.00 0.00 34.50 30.44 2dhk s PRO 116 CO 0.01 -1.58 -0.22 0.45 0.04 0.00 0.00 177.00 175.70 2dhk s SER 117 N 5.00 3.16 0.32 6.66 0.15 -1.26 -5.13 113.70 122.61 2dhk s SER 117 Ca 0.74 -0.58 0.09 0.00 0.70 0.00 0.00 55.95 56.90 2dhk s SER 117 Cb -0.22 -1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 2dhk s SER 117 CO 0.32 0.11 0.06 -0.44 1.20 0.00 0.00 173.24 174.49 2dhk s SER 118 N 0.66 4.47 0.00 5.45 0.01 -1.26 -5.27 113.70 117.76 2dhk s SER 118 Ca -0.11 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2dhk s SER 118 Cb -0.16 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dhk s SER 118 CO 0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.07