#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 3.47 -0.27 1.61 1.04 -1.26 -5.12 113.70 113.17 2dhk s SER 2 Ca 0.00 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 2dhk s SER 2 Cb 0.00 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.89 2dhk s SER 2 CO 0.00 0.07 -0.05 -0.55 0.98 0.00 0.00 173.24 173.69 2dhk s SER 3 N -3.09 4.51 0.00 7.02 0.15 -1.26 -4.67 113.70 116.36 2dhk s SER 3 Ca 0.25 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2dhk s SER 3 Cb -0.06 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2dhk s SER 3 CO 0.12 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dhk n GLY 4 N 4.60 3.75 3.55 9.45 0.00 -1.26 -5.06 105.19 120.23 2dhk n GLY 4 Ca -0.15 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 6.03 0.28 1.61 0.15 -1.26 -4.99 113.70 115.50 2dhk s SER 5 Ca 0.00 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 2dhk s SER 5 Cb 0.00 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2dhk s SER 5 CO 0.00 -1.92 0.58 -0.44 1.20 0.00 0.00 173.24 172.66 2dhk s SER 6 N 4.66 6.54 0.40 5.45 0.01 -1.26 -4.89 113.70 124.60 2dhk s SER 6 Ca 0.42 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2dhk s SER 6 Cb -0.08 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2dhk s SER 6 CO 0.13 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dhk n GLY 7 N -0.60 -5.06 2.29 3.44 0.00 -1.26 -4.75 105.19 99.24 2dhk n GLY 7 Ca -0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2dhk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dhk n LYS 8 N 0.43 2.54 -4.78 1.61 2.85 -1.26 -4.92 118.16 114.63 2dhk n LYS 8 Ca 0.00 -3.00 -0.25 0.00 -1.05 0.00 0.00 58.31 54.01 2dhk n LYS 8 Cb 0.00 -2.17 -0.15 0.00 -0.65 0.00 0.00 35.03 32.06 2dhk n LYS 8 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2dhk s LYS 9 N -3.48 1.39 -0.28 -1.58 1.02 -1.26 -5.06 119.74 110.49 2dhk s LYS 9 Ca 0.59 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 2dhk s LYS 9 Cb 0.46 -1.37 0.09 0.00 -0.52 0.00 0.00 37.83 36.49 2dhk s LYS 9 CO -0.03 0.37 0.06 -1.17 -0.92 0.00 0.00 175.35 173.66 2dhk s LEU 10 N -0.58 2.18 0.15 3.17 2.96 -1.26 -5.12 118.68 120.18 2dhk s LEU 10 Ca 0.07 -1.42 -0.04 0.00 -0.22 0.00 0.00 54.13 52.51 2dhk s LEU 10 Cb -0.07 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 2dhk s LEU 10 CO -0.00 -0.37 0.16 0.00 -1.32 0.00 0.00 176.35 174.82 2dhk n GLY 12 N -0.15 3.09 3.80 0.00 0.00 -0.81 -5.02 105.19 106.09 2dhk n GLY 12 Ca -0.06 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 3.57 0.28 1.61 2.02 -1.26 -2.12 117.35 119.45 2dhk s TYR 13 Ca 0.00 1.63 -0.00 0.00 -0.37 0.00 0.00 57.07 58.33 2dhk s TYR 13 Cb 0.00 -2.82 -0.02 0.00 -0.40 0.00 0.00 41.96 38.72 2dhk s TYR 13 CO 0.00 0.15 0.30 -0.51 -1.57 0.00 0.00 175.55 173.92 2dhk s LEU 14 N -2.38 1.19 -0.16 -1.29 1.43 -0.17 -4.75 118.68 112.56 2dhk s LEU 14 Ca 0.52 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2dhk s LEU 14 Cb -0.15 0.88 0.00 0.00 0.03 0.00 0.00 46.19 46.95 2dhk s LEU 14 CO 0.20 -1.06 -0.16 -0.55 0.23 0.00 0.00 176.35 175.01 2dhk s SER 15 N -3.22 3.58 -0.26 2.29 0.15 -1.15 -1.01 113.70 114.07 2dhk s SER 15 Ca 0.35 -0.50 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2dhk s SER 15 Cb 0.03 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2dhk s SER 15 CO 0.18 0.07 0.39 -0.75 1.20 0.00 0.00 173.24 174.33 2dhk s LYS 16 N 0.89 4.03 0.82 5.44 2.20 -0.39 -2.95 119.74 129.78 2dhk s LYS 16 Ca -0.04 0.07 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 2dhk s LYS 16 Cb -0.15 -3.65 0.14 0.00 -1.51 0.00 0.00 37.83 32.66 2dhk s LYS 16 CO -0.02 -0.27 1.15 0.12 -0.36 0.00 0.00 175.35 175.98 2dhk s PHE 17 N 2.05 2.03 0.96 4.03 5.36 -1.12 -1.85 117.98 129.44 2dhk s PHE 17 Ca 0.16 0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 56.19 2dhk s PHE 17 Cb -0.16 -3.56 -0.13 0.00 -0.34 0.00 0.00 43.02 38.84 2dhk s PHE 17 CO 0.10 -2.03 -0.61 0.41 -1.46 0.00 0.00 175.22 171.62 2dhk n GLY 18 N -3.28 -4.24 0.00 13.12 0.00 -1.17 -4.77 105.19 104.85 2dhk n GLY 18 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 3.18 -2.09 0.15 -0.02 0.00 -1.26 -4.89 105.19 100.26 2dhk n GLY 19 Ca -0.00 0.81 -0.23 0.00 0.00 0.00 0.00 46.02 46.59 2dhk n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dhk h LYS 20 N 0.00 0.53 -6.78 1.61 2.10 -1.92 -3.47 116.57 108.64 2dhk h LYS 20 Ca 0.00 -0.82 -0.47 0.00 -2.00 0.00 0.00 60.65 57.36 2dhk h LYS 20 Cb 0.00 0.29 0.23 0.00 -0.90 0.00 0.00 32.23 31.85 2dhk h LYS 20 CO 0.00 1.38 -0.80 0.41 -2.00 0.00 0.00 179.45 178.44 2dhk n GLY 21 N 1.58 -2.29 0.22 0.07 0.00 -1.26 -4.93 105.19 98.59 2dhk n GLY 21 Ca -0.15 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.08 0.74 -6.14 1.61 0.13 -2.04 -3.46 132.00 120.77 2dhk h PRO 22 Ca -0.53 -0.39 -0.51 0.00 -0.87 0.00 0.00 66.00 63.70 2dhk h PRO 22 Cb 1.34 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 2dhk h PRO 22 CO 0.39 1.01 -0.38 0.96 -0.23 0.00 0.00 178.00 179.76 2dhk s ILE 23 N -4.37 2.54 0.12 -3.56 -0.00 -1.26 -5.05 121.20 109.62 2dhk s ILE 23 Ca -0.12 -1.38 0.07 0.00 -0.00 0.00 0.00 60.65 59.21 2dhk s ILE 23 Cb 0.09 -2.92 -0.04 0.00 -0.00 0.00 0.00 42.46 39.59 2dhk s ILE 23 CO 0.84 0.00 -0.06 0.00 -0.00 0.00 0.00 174.94 175.71 2dhk s ARG 24 N -4.13 2.25 0.00 0.37 1.04 -1.26 -4.50 118.95 112.72 2dhk s ARG 24 Ca 0.47 -1.01 0.00 0.00 -1.04 0.00 0.00 55.73 54.14 2dhk s ARG 24 Cb -0.02 -2.35 0.00 0.00 -2.04 0.00 0.00 34.95 30.53 2dhk s ARG 24 CO 0.27 0.50 0.00 0.41 -0.04 0.00 0.00 175.30 176.44 2dhk n GLY 25 N 0.50 1.99 3.73 3.88 0.00 -1.26 -4.81 105.19 109.23 2dhk n GLY 25 Ca -0.12 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 3.72 -0.05 1.61 0.52 -1.26 -3.02 118.94 118.46 2dhk s TRP 26 Ca 0.00 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.67 2dhk s TRP 26 Cb 0.00 -2.90 0.02 0.00 -1.15 0.00 0.00 33.47 29.44 2dhk s TRP 26 CO 0.00 0.20 -0.07 0.21 0.02 0.00 0.00 176.95 177.32 2dhk s LYS 27 N 0.19 1.08 -0.29 4.98 2.47 -0.77 -4.92 119.74 122.48 2dhk s LYS 27 Ca 0.42 -0.20 -0.28 0.00 -1.56 0.00 0.00 55.97 54.35 2dhk s LYS 27 Cb -0.21 -1.01 -0.03 0.00 -1.46 0.00 0.00 37.83 35.13 2dhk s LYS 27 CO 0.24 -0.05 1.93 -1.54 0.16 0.00 0.00 175.35 176.09 2dhk s SER 28 N 0.85 5.77 -0.02 1.43 1.04 -1.26 -1.26 113.70 120.24 2dhk s SER 28 Ca -0.12 1.51 0.02 0.00 0.48 0.00 0.00 55.95 57.84 2dhk s SER 28 Cb -0.15 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2dhk s SER 28 CO 0.01 -1.77 -0.08 -0.13 0.98 0.00 0.00 173.24 172.24 2dhk s ARG 29 N 5.84 0.83 0.02 4.02 1.81 -0.18 -4.93 118.95 126.37 2dhk s ARG 29 Ca 0.86 -0.29 -0.25 0.00 -1.72 0.00 0.00 55.73 54.34 2dhk s ARG 29 Cb -0.26 -0.79 -0.05 0.00 -0.45 0.00 0.00 34.95 33.39 2dhk s ARG 29 CO 0.34 0.13 0.76 -0.46 -0.68 0.00 0.00 175.30 175.39 2dhk s TRP 30 N 0.07 3.70 -0.00 -0.53 -0.11 0.19 -1.00 118.94 121.26 2dhk s TRP 30 Ca -0.01 1.43 0.07 0.00 1.22 0.00 0.00 56.10 58.82 2dhk s TRP 30 Cb -0.07 -2.82 -0.02 0.00 -1.50 0.00 0.00 33.47 29.06 2dhk s TRP 30 CO 0.00 0.23 -0.23 -0.06 -4.62 0.00 0.00 176.95 172.27 2dhk s PHE 31 N 0.13 2.04 -0.14 5.86 0.40 -0.90 0.64 117.98 126.01 2dhk s PHE 31 Ca 0.39 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 2dhk s PHE 31 Cb -0.20 -1.29 0.04 0.00 0.51 0.00 0.00 43.02 42.08 2dhk s PHE 31 CO 0.22 -0.00 0.37 -0.59 0.70 0.00 0.00 175.22 175.92 2dhk s PHE 32 N -0.60 -0.42 0.32 0.36 -0.12 0.89 -1.93 117.98 116.47 2dhk s PHE 32 Ca 0.09 1.02 -0.12 0.00 -0.05 0.00 0.00 56.93 57.87 2dhk s PHE 32 Cb -0.09 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.37 2dhk s PHE 32 CO -0.00 -0.21 0.69 -0.47 -0.05 0.00 0.00 175.22 175.17 2dhk s TYR 33 N 0.32 3.41 -0.10 3.49 6.14 -0.80 -0.42 117.35 129.40 2dhk s TYR 33 Ca -0.01 1.05 0.02 0.00 0.64 0.00 0.00 57.07 58.77 2dhk s TYR 33 Cb -0.03 -2.42 -0.01 0.00 0.42 0.00 0.00 41.96 39.92 2dhk s TYR 33 CO -0.01 0.09 -0.17 0.34 0.64 0.00 0.00 175.55 176.45 2dhk s ASP 34 N -2.57 3.74 -0.25 4.32 2.15 0.15 -4.81 116.67 119.40 2dhk s ASP 34 Ca 0.51 -0.37 0.12 0.00 0.43 0.00 0.00 52.55 53.25 2dhk s ASP 34 Cb -0.10 -1.34 0.78 0.00 -0.30 0.00 0.00 42.92 41.95 2dhk s ASP 34 CO 0.22 0.21 1.73 -1.84 -0.17 0.00 0.00 175.17 175.32 2dhk n GLU 35 N 3.23 4.48 -0.09 4.34 0.28 -1.26 -3.09 120.64 128.54 2dhk n GLU 35 Ca -0.18 -3.03 -0.16 0.00 -0.16 0.00 0.00 57.16 53.63 2dhk n GLU 35 Cb 0.53 -2.23 -0.07 0.00 1.43 0.00 0.00 31.44 31.09 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 0.41 0.38 -0.11 3.44 1.74 -1.26 -4.69 116.66 116.57 2dhk n ARG 36 Ca 0.30 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.56 2dhk n ARG 36 Cb 1.22 -1.20 0.09 0.00 -1.02 0.00 0.00 32.46 31.56 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 -3.48 2.88 -3.87 5.56 5.02 -1.26 -4.99 118.16 118.02 2dhk n LYS 37 Ca -0.32 -1.87 -0.27 0.00 -2.02 0.00 0.00 58.31 53.83 2dhk n LYS 37 Cb 0.77 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 34.61 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 -6.43 1.47 -0.38 0.00 -0.21 -1.21 -4.32 119.66 108.59 2dhk s GLN 39 Ca 0.41 -1.76 -0.09 0.00 0.02 0.00 0.00 55.36 53.94 2dhk s GLN 39 Cb -0.21 -0.85 0.05 0.00 1.00 0.00 0.00 33.01 33.00 2dhk s GLN 39 CO 0.83 -0.07 0.19 -1.17 -2.12 0.00 0.00 175.29 172.96 2dhk s LEU 40 N -3.39 4.74 -0.18 2.90 2.96 -0.84 -0.67 118.68 124.19 2dhk s LEU 40 Ca 0.30 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 2dhk s LEU 40 Cb 0.06 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2dhk s LEU 40 CO 0.11 -0.41 0.10 -0.31 -1.32 0.00 0.00 176.35 174.52 2dhk s TYR 41 N 1.48 3.35 0.01 5.38 1.51 0.45 -1.74 117.35 127.79 2dhk s TYR 41 Ca 0.01 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 2dhk s TYR 41 Cb -0.20 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.53 2dhk s TYR 41 CO 0.04 0.27 -0.12 1.52 -1.11 0.00 0.00 175.55 176.16 2dhk s TYR 42 N 0.22 1.04 0.23 2.71 -0.85 -1.12 -0.08 117.35 119.50 2dhk s TYR 42 Ca 0.07 -0.27 0.05 0.00 -0.52 0.00 0.00 57.07 56.39 2dhk s TYR 42 Cb -0.12 -0.65 -0.02 0.00 0.38 0.00 0.00 41.96 41.56 2dhk s TYR 42 CO -0.01 -0.00 0.16 -1.13 -1.52 0.00 0.00 175.55 173.06 2dhk n SER 43 N 2.37 -0.12 -0.02 -0.18 3.41 0.21 -2.47 113.62 116.81 2dhk n SER 43 Ca -0.16 -2.43 -0.04 0.00 -0.26 0.00 0.00 58.87 55.98 2dhk n SER 43 Cb 0.56 1.00 0.18 0.00 -0.26 0.00 0.00 64.21 65.69 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 0.57 0.00 4.33 3.08 -1.92 0.54 114.38 120.98 2dhk h ARG 44 Ca -0.16 -0.20 -0.34 0.00 0.07 0.00 0.00 59.98 59.34 2dhk h ARG 44 Cb 0.78 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 2dhk h ARG 44 CO 0.25 0.74 -0.29 0.25 -1.07 0.00 0.00 179.97 179.85 2dhk n THR 45 N -4.14 0.00 0.73 2.04 -2.24 -1.26 -3.81 114.28 105.61 2dhk n THR 45 Ca 0.00 -1.47 0.11 0.00 -2.27 0.00 0.00 64.05 60.41 2dhk n THR 45 Cb 0.39 0.55 0.28 0.00 -2.10 0.00 0.00 70.33 69.45 2dhk n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dhk n ALA 46 N -1.78 2.46 -1.97 6.98 0.00 -1.26 -3.99 120.51 120.96 2dhk n ALA 46 Ca -0.10 -0.77 0.05 0.00 0.00 0.00 0.00 53.44 52.63 2dhk n ALA 46 Cb 0.38 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 18.95 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 0.90 0.73 -2.38 0.00 6.02 -1.26 -5.01 117.38 116.38 2dhk n GLN 47 Ca 0.17 -2.45 -0.38 0.00 -0.01 0.00 0.00 57.00 54.33 2dhk n GLN 47 Cb 0.46 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.87 2dhk n GLN 47 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dhk s ASP 48 N -2.45 5.94 0.25 1.08 -1.08 -1.26 -4.85 116.67 114.30 2dhk s ASP 48 Ca 0.32 -0.69 0.12 0.00 -0.52 0.00 0.00 52.55 51.78 2dhk s ASP 48 Cb 0.33 -2.56 0.85 0.00 -1.46 0.00 0.00 42.92 40.09 2dhk s ASP 48 CO -0.09 -1.98 1.09 0.00 0.52 0.00 0.00 175.17 174.71 2dhk n ALA 49 N 10.62 0.64 -3.81 3.66 0.00 -1.26 -3.76 120.51 126.60 2dhk n ALA 49 Ca 0.23 0.72 -0.30 0.00 0.00 0.00 0.00 53.44 54.08 2dhk n ALA 49 Cb 0.50 -0.67 -0.17 0.00 0.00 0.00 0.00 19.45 19.11 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 -4.73 2.65 0.23 0.00 0.01 -1.26 -5.12 114.94 106.71 2dhk s ASN 50 Ca -0.07 -0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 51.30 2dhk s ASN 50 Cb 0.23 -1.19 -0.09 0.00 0.41 0.00 0.00 41.25 40.61 2dhk s ASN 50 CO 0.54 -0.00 1.29 -2.16 -1.51 0.00 0.00 177.10 175.25 2dhk s PRO 51 N 1.17 4.41 0.17 -0.60 0.04 -1.25 -4.94 135.00 133.99 2dhk s PRO 51 Ca -0.02 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 2dhk s PRO 51 Cb -0.14 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.31 2dhk s PRO 51 CO -0.06 -0.20 1.66 -0.07 0.04 0.00 0.00 177.00 178.38 2dhk h LEU 52 N 4.92 -0.47 -7.49 -3.56 3.38 -1.86 -3.46 115.31 106.78 2dhk h LEU 52 Ca -0.46 0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.72 2dhk h LEU 52 Cb 1.22 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 2dhk h LEU 52 CO 0.74 -0.17 0.33 -0.62 0.09 0.00 0.00 178.44 178.82 2dhk s ASP 53 N -5.18 -0.34 0.29 -0.43 2.15 -1.23 -5.07 116.67 106.86 2dhk s ASP 53 Ca -0.14 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 52.62 2dhk s ASP 53 Cb 0.14 0.58 -0.06 0.00 -0.30 0.00 0.00 42.92 43.28 2dhk s ASP 53 CO 0.70 -1.01 -0.09 -0.94 -0.17 0.00 0.00 175.17 173.66 2dhk s SER 54 N -2.81 3.08 -0.03 -0.34 1.04 -1.26 -2.81 113.70 110.57 2dhk s SER 54 Ca 0.08 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2dhk s SER 54 Cb -0.03 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.89 2dhk s SER 54 CO -0.02 -0.25 -0.00 -0.63 0.98 0.00 0.00 173.24 173.32 2dhk s ILE 55 N -2.85 0.21 -0.46 -1.02 1.09 -0.71 -4.95 121.20 112.50 2dhk s ILE 55 Ca 0.30 0.08 -0.28 0.00 -1.10 0.00 0.00 60.65 59.64 2dhk s ILE 55 Cb 0.02 -0.30 -0.00 0.00 -1.06 0.00 0.00 42.46 41.12 2dhk s ILE 55 CO 0.13 0.16 1.61 -0.62 -0.10 0.00 0.00 174.94 176.11 2dhk s ASP 56 N 1.06 5.96 0.47 3.58 -1.08 -1.26 -1.99 116.67 123.41 2dhk s ASP 56 Ca -0.09 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 52.95 2dhk s ASP 56 Cb -0.14 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.57 2dhk s ASP 56 CO -0.02 -1.75 1.77 -0.07 0.52 0.00 0.00 175.17 175.61 2dhk h LEU 57 N 13.62 0.00 -0.60 -1.34 3.38 -1.92 -3.29 115.31 125.17 2dhk h LEU 57 Ca -0.29 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.74 2dhk h LEU 57 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2dhk h LEU 57 CO 1.12 0.06 -0.39 -1.28 0.09 0.00 0.00 178.44 178.04 2dhk h SER 58 N 0.00 -1.41 -0.88 -0.43 0.87 -1.88 0.12 113.55 109.93 2dhk h SER 58 Ca -0.00 0.21 -0.38 0.00 -1.23 0.00 0.00 61.79 60.39 2dhk h SER 58 Cb 0.81 0.62 -0.23 0.00 -0.44 0.00 0.00 62.40 63.16 2dhk h SER 58 CO 0.01 -0.17 0.49 -0.24 -0.53 0.00 0.00 176.83 176.38 2dhk n SER 59 N -4.49 4.27 -4.67 6.23 2.88 -1.25 -4.93 113.62 111.65 2dhk n SER 59 Ca 0.01 -3.43 -0.35 0.00 -1.33 0.00 0.00 58.87 53.77 2dhk n SER 59 Cb 0.18 -0.80 -0.09 0.00 -0.75 0.00 0.00 64.21 62.75 2dhk n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhk s ALA 60 N -3.14 3.56 -0.21 -1.46 0.00 0.41 -4.16 121.76 116.76 2dhk s ALA 60 Ca 0.56 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2dhk s ALA 60 Cb 0.46 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2dhk s ALA 60 CO 0.12 0.06 -0.05 0.54 0.00 0.00 0.00 175.76 176.43 2dhk s VAL 61 N 0.57 3.35 -0.15 0.00 0.11 0.59 -4.92 120.40 119.95 2dhk s VAL 61 Ca 0.06 -0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 58.36 2dhk s VAL 61 Cb -0.12 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.20 2dhk s VAL 61 CO 0.00 0.44 0.77 -0.36 -3.33 0.00 0.00 175.10 172.62 2dhk s PHE 62 N 1.31 3.44 0.28 1.54 0.08 -1.26 -0.41 117.98 122.96 2dhk s PHE 62 Ca 0.04 1.20 0.07 0.00 0.12 0.00 0.00 56.93 58.35 2dhk s PHE 62 Cb -0.14 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 2dhk s PHE 62 CO -0.02 -0.17 -0.07 0.34 -0.10 0.00 0.00 175.22 175.20 2dhk s ASP 63 N 1.10 2.88 -0.14 1.36 2.15 0.82 -4.96 116.67 119.88 2dhk s ASP 63 Ca 0.36 -1.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.12 2dhk s ASP 63 Cb -0.17 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.23 2dhk s ASP 63 CO 0.13 -0.31 -0.01 0.00 -0.17 0.00 0.00 175.17 174.81 2dhk s LYS 65 N 0.05 -1.91 0.15 0.00 -0.14 -0.93 -4.93 119.74 112.03 2dhk s LYS 65 Ca 0.02 -0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 54.50 2dhk s LYS 65 Cb -0.13 -1.51 -0.01 0.00 -1.68 0.00 0.00 37.83 34.50 2dhk s LYS 65 CO 0.02 -4.17 1.42 0.00 -0.76 0.00 0.00 175.35 171.86 2dhk h ALA 66 N -2.91 0.53 -0.58 5.17 0.00 -2.00 -3.11 119.26 116.35 2dhk h ALA 66 Ca -0.43 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 53.57 2dhk h ALA 66 Cb 1.30 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.86 2dhk h ALA 66 CO 0.30 0.70 0.45 -0.25 0.00 0.00 0.00 179.25 180.45 2dhk n ASP 67 N -3.94 5.12 0.28 0.00 9.92 -1.26 -4.50 116.55 122.17 2dhk n ASP 67 Ca -0.05 -3.08 0.16 0.00 -0.53 0.00 0.00 54.79 51.30 2dhk n ASP 67 Cb 0.67 -0.87 0.88 0.00 -0.64 0.00 0.00 41.12 41.15 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dhk h ALA 68 N 1.50 1.10 -0.10 2.24 0.00 -1.78 -2.12 119.26 120.10 2dhk h ALA 68 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2dhk h ALA 68 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2dhk h ALA 68 CO 0.79 -0.10 0.53 1.05 0.00 0.00 0.00 179.25 181.52 2dhk h GLU 69 N 0.00 0.00 0.01 0.00 4.11 -1.89 0.18 114.58 116.99 2dhk h GLU 69 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 2dhk h GLU 69 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 2dhk h GLU 69 CO 0.00 0.00 -2.39 -1.91 0.07 0.00 0.00 179.01 174.78 2dhk n GLU 70 N -2.94 0.67 0.00 1.06 2.13 -0.80 -4.67 120.64 116.10 2dhk n GLU 70 Ca 0.01 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2dhk n GLU 70 Cb 0.59 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.76 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 2.04 0.34 3.23 8.31 0.00 0.64 -2.86 105.19 116.89 2dhk n GLY 71 Ca -0.40 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 1.79 0.37 -0.61 1.09 -1.26 0.01 121.20 122.59 2dhk s ILE 72 Ca 0.00 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.66 2dhk s ILE 72 Cb 0.00 -1.51 -0.03 0.00 -1.06 0.00 0.00 42.46 39.87 2dhk s ILE 72 CO 0.00 0.51 0.20 0.72 -0.10 0.00 0.00 174.94 176.27 2dhk s PHE 73 N -0.30 1.75 -0.17 3.97 -0.71 -0.44 -2.20 117.98 119.89 2dhk s PHE 73 Ca 0.02 -1.47 -0.10 0.00 -1.04 0.00 0.00 56.93 54.34 2dhk s PHE 73 Cb -0.11 -0.94 0.06 0.00 -1.21 0.00 0.00 43.02 40.82 2dhk s PHE 73 CO 0.01 -0.58 0.41 -1.21 -1.34 0.00 0.00 175.22 172.51 2dhk s GLU 74 N -3.60 0.40 -0.47 1.99 2.02 0.83 -2.46 118.70 117.42 2dhk s GLU 74 Ca 0.32 0.76 -0.16 0.00 0.02 0.00 0.00 54.97 55.91 2dhk s GLU 74 Cb 0.02 0.00 0.06 0.00 0.10 0.00 0.00 34.13 34.32 2dhk s GLU 74 CO 0.20 -0.15 0.41 0.42 0.02 0.00 0.00 175.26 176.17 2dhk s ILE 75 N 1.27 5.19 -0.23 -1.63 1.01 0.60 -0.13 121.20 127.28 2dhk s ILE 75 Ca -0.09 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 2dhk s ILE 75 Cb -0.08 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2dhk s ILE 75 CO -0.11 -0.57 0.78 -0.54 0.00 0.00 0.00 174.94 174.50 2dhk s LYS 76 N 1.77 4.19 0.12 2.79 1.02 0.45 -1.17 119.74 128.91 2dhk s LYS 76 Ca 0.06 0.85 0.05 0.00 0.02 0.00 0.00 55.97 56.95 2dhk s LYS 76 Cb -0.23 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 2dhk s LYS 76 CO 0.08 -0.45 -0.13 0.95 -0.92 0.00 0.00 175.35 174.88 2dhk s THR 77 N 2.61 1.27 -2.00 2.17 -4.23 -1.26 -0.30 115.64 113.90 2dhk s THR 77 Ca 0.33 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2dhk s THR 77 Cb -0.16 -1.55 0.30 0.00 1.34 0.00 0.00 72.50 72.44 2dhk s THR 77 CO 0.08 -0.47 1.06 -0.81 -0.54 0.00 0.00 174.62 173.95 2dhk n PRO 78 N 0.45 0.49 -0.05 3.99 -0.04 -1.26 -3.18 135.00 135.40 2dhk n PRO 78 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2dhk n PRO 78 Cb 0.57 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.83 0.83 -3.55 3.54 2.88 -1.26 -5.07 113.62 110.16 2dhk n SER 79 Ca 0.08 0.11 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 2dhk n SER 79 Cb 0.04 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 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 -2.18 0.43 -0.23 -1.46 1.70 -1.19 -5.13 118.95 110.88 2dhk s ARG 80 Ca -0.13 0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 55.75 2dhk s ARG 80 Cb 0.05 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 2dhk s ARG 80 CO 0.17 -0.12 1.37 0.08 -1.08 0.00 0.00 175.30 175.72 2dhk s VAL 81 N 2.11 4.06 0.11 4.99 1.01 -1.26 -4.11 120.40 127.31 2dhk s VAL 81 Ca -0.06 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2dhk s VAL 81 Cb -0.06 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2dhk s VAL 81 CO -0.17 -0.33 0.21 -0.63 0.00 0.00 0.00 175.10 174.18 2dhk s ILE 82 N 4.29 5.12 -0.22 2.22 -1.09 -0.32 -4.97 121.20 126.23 2dhk s ILE 82 Ca 0.60 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2dhk s ILE 82 Cb -0.21 -3.56 0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2dhk s ILE 82 CO 0.22 0.02 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.01 2dhk s THR 83 N -1.61 1.39 0.06 2.92 2.01 -1.26 -0.29 115.64 118.85 2dhk s THR 83 Ca 0.33 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2dhk s THR 83 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2dhk s THR 83 CO 0.27 -0.04 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.21 2dhk s LEU 84 N 1.47 2.21 0.20 4.42 1.43 -1.03 -2.78 118.68 124.60 2dhk s LEU 84 Ca -0.04 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2dhk s LEU 84 Cb -0.18 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2dhk s LEU 84 CO -0.07 0.09 -0.23 -1.59 0.23 0.00 0.00 176.35 174.78 2dhk s LYS 85 N -1.37 1.56 0.53 1.70 -2.85 -1.15 -1.33 119.74 116.82 2dhk s LYS 85 Ca 0.05 -1.54 0.06 0.00 -1.00 0.00 0.00 55.97 53.54 2dhk s LYS 85 Cb -0.09 -1.85 0.03 0.00 -2.06 0.00 0.00 37.83 33.86 2dhk s LYS 85 CO 0.02 0.39 0.41 0.00 0.10 0.00 0.00 175.35 176.27 2dhk s ALA 86 N -1.75 4.37 0.00 0.59 0.00 0.10 -2.95 121.76 122.12 2dhk s ALA 86 Ca 0.22 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 2dhk s ALA 86 Cb -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2dhk s ALA 86 CO 0.11 -0.43 1.03 0.00 0.00 0.00 0.00 175.76 176.46 2dhk h ALA 87 N 0.79 -0.94 -5.00 0.00 0.00 -1.85 -3.44 119.26 108.81 2dhk h ALA 87 Ca -0.37 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.06 2dhk h ALA 87 Cb 1.30 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2dhk h ALA 87 CO 0.57 -0.94 -0.30 0.25 0.00 0.00 0.00 179.25 178.83 2dhk n THR 88 N -2.24 0.00 -0.21 0.00 -2.24 -1.26 -4.77 114.28 103.56 2dhk n THR 88 Ca -0.01 -1.71 -0.09 0.00 -2.27 0.00 0.00 64.05 59.97 2dhk n THR 88 Cb 0.02 0.17 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.05 0.00 -0.78 1.63 -1.79 -2.48 116.57 114.19 2dhk h LYS 89 Ca -0.29 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.19 2dhk h LYS 89 Cb 0.94 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2dhk h LYS 89 CO 0.48 1.01 -0.00 0.37 -3.45 0.00 0.00 179.45 177.85 2dhk h GLN 90 N 0.95 0.00 0.50 1.90 4.15 -1.94 -3.23 115.11 117.44 2dhk h GLN 90 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2dhk h GLN 90 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2dhk h GLN 90 CO 0.02 0.00 -0.24 0.00 -1.93 0.00 0.00 178.83 176.69 2dhk h ALA 91 N 2.00 -0.95 -0.62 3.38 0.00 -1.83 -3.10 119.26 118.14 2dhk h ALA 91 Ca -0.00 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2dhk h ALA 91 Cb 0.66 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2dhk h ALA 91 CO 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 179.25 178.37 2dhk h MET 92 N -0.81 0.14 -0.98 0.00 -0.00 -1.63 0.29 114.93 111.94 2dhk h MET 92 Ca -0.07 -0.01 0.32 0.00 -0.00 0.00 0.00 59.70 59.94 2dhk h MET 92 Cb 0.51 -0.03 -0.15 0.00 -0.00 0.00 0.00 31.60 31.93 2dhk h MET 92 CO 0.11 0.09 0.48 -0.07 -0.00 0.00 0.00 176.91 177.52 2dhk h LEU 93 N 0.14 0.35 -0.64 -0.10 3.38 -1.58 0.72 115.31 117.58 2dhk h LEU 93 Ca 0.33 0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.42 2dhk h LEU 93 Cb 0.53 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2dhk h LEU 93 CO -0.51 -0.19 0.08 0.22 0.09 0.00 0.00 178.44 178.13 2dhk h TYR 94 N 0.25 1.16 0.38 1.13 3.20 -0.85 -0.92 116.97 121.31 2dhk h TYR 94 Ca 0.71 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 62.39 2dhk h TYR 94 Cb 1.62 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2dhk h TYR 94 CO -0.08 0.99 -0.18 -1.49 -1.64 0.00 0.00 178.16 175.75 2dhk h TRP 95 N 0.99 -0.47 -0.74 -3.82 4.06 0.48 0.18 115.95 116.63 2dhk h TRP 95 Ca 0.19 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.22 2dhk h TRP 95 Cb 0.47 0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 28.72 2dhk h TRP 95 CO 0.03 -0.15 0.40 -0.07 -3.56 0.00 0.00 178.44 175.10 2dhk h LEU 96 N -0.86 0.55 0.23 -4.49 3.38 -0.97 0.50 115.31 113.64 2dhk h LEU 96 Ca -0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dhk h LEU 96 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dhk h LEU 96 CO 0.09 0.32 -0.11 -0.61 0.09 0.00 0.00 178.44 178.22 2dhk h GLN 97 N 0.68 -0.30 0.77 1.13 5.75 -1.16 -3.10 115.11 118.88 2dhk h GLN 97 Ca 0.36 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.84 2dhk h GLN 97 Cb 0.34 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2dhk h GLN 97 CO -0.25 0.05 -0.40 1.96 -2.65 0.00 0.00 178.83 177.53 2dhk h GLN 98 N -0.69 -1.04 -0.70 1.69 1.08 -0.34 -2.95 115.11 112.17 2dhk h GLN 98 Ca -0.03 0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.39 2dhk h GLN 98 Cb 0.48 0.24 -0.13 0.00 -0.05 0.00 0.00 27.48 28.01 2dhk h GLN 98 CO 0.05 -0.69 -0.15 1.28 -0.95 0.00 0.00 178.83 178.37 2dhk n LEU 99 N -4.99 -0.23 0.01 1.46 4.77 0.17 0.12 117.00 118.31 2dhk n LEU 99 Ca -0.13 1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.95 2dhk n LEU 99 Cb 0.43 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2dhk n LEU 99 CO 0.32 -1.17 0.70 1.56 -1.33 0.00 0.00 177.39 177.48 2dhk h GLN 100 N 0.00 -0.30 -0.80 3.23 4.20 -1.44 -1.82 115.11 118.18 2dhk h GLN 100 Ca 0.35 0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.33 2dhk h GLN 100 Cb 0.55 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.26 2dhk h GLN 100 CO -0.72 -0.20 0.15 -1.33 -0.67 0.00 0.00 178.83 176.07 2dhk n MET 101 N -5.36 -0.06 0.12 1.46 2.81 0.33 0.13 117.12 116.55 2dhk n MET 101 Ca -0.03 1.16 -0.13 0.00 -1.81 0.00 0.00 57.70 56.89 2dhk n MET 101 Cb 0.28 -1.92 -0.08 0.00 -0.71 0.00 0.00 33.22 30.78 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 -0.29 0.39 0.03 1.79 -1.30 -2.04 116.57 115.16 2dhk h LYS 102 Ca 0.55 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 59.02 2dhk h LYS 102 Cb 1.26 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2dhk h LYS 102 CO -0.71 -0.01 -0.19 -0.09 -1.08 0.00 0.00 179.45 177.38 2dhk h ARG 103 N -0.55 -0.51 -0.98 3.15 2.43 0.63 -3.21 114.38 115.35 2dhk h ARG 103 Ca -0.03 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 2dhk h ARG 103 Cb 0.41 0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 29.89 2dhk h ARG 103 CO 0.05 -0.34 -0.08 2.35 -1.51 0.00 0.00 179.97 180.45 2dhk h TRP 104 N -0.87 -0.23 -0.18 2.20 7.01 1.00 -0.19 115.95 124.69 2dhk h TRP 104 Ca -0.05 0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.05 2dhk h TRP 104 Cb 0.40 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 2dhk h TRP 104 CO 0.03 -0.42 -0.41 0.93 -2.79 0.00 0.00 178.44 175.78 2dhk h GLU 105 N 0.01 -0.37 -0.89 2.65 5.08 -1.42 -0.60 114.58 119.04 2dhk h GLU 105 Ca 0.54 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 59.16 2dhk h GLU 105 Cb 1.02 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.19 2dhk h GLU 105 CO -0.94 -0.25 0.08 0.35 -1.00 0.00 0.00 179.01 177.25 2dhk h PHE 106 N -0.38 0.06 -0.83 4.33 3.57 -1.03 0.83 116.94 123.48 2dhk h PHE 106 Ca 0.04 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2dhk h PHE 106 Cb 0.48 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 2dhk h PHE 106 CO -0.61 -0.32 0.54 0.45 -2.23 0.00 0.00 178.31 176.15 2dhk h HIS 107 N 0.09 1.06 0.50 0.41 3.86 -0.91 -3.14 115.15 117.02 2dhk h HIS 107 Ca 0.53 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.74 2dhk h HIS 107 Cb 1.05 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2dhk h HIS 107 CO -0.41 0.68 -0.24 -0.91 0.86 0.00 0.00 177.93 177.90 2dhk h ASN 108 N 1.13 -0.57 -1.54 2.45 -0.26 0.20 -3.44 115.58 113.55 2dhk h ASN 108 Ca 0.30 -0.00 -0.72 0.00 -0.56 0.00 0.00 56.30 55.32 2dhk h ASN 108 Cb -0.11 0.15 0.03 0.00 -1.06 0.00 0.00 38.32 37.33 2dhk h ASN 108 CO -0.06 -0.15 0.65 -1.54 -1.06 0.00 0.00 177.43 175.26 2dhk n SER 109 N -5.23 1.87 -4.77 5.81 3.41 0.14 -4.91 113.62 109.95 2dhk n SER 109 Ca -0.09 1.10 -0.32 0.00 -0.26 0.00 0.00 58.87 59.31 2dhk n SER 109 Cb 0.28 -1.14 0.07 0.00 -0.26 0.00 0.00 64.21 63.16 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dhk s PRO 110 N 2.00 2.53 1.20 4.33 0.04 -1.26 -4.91 135.00 138.93 2dhk s PRO 110 Ca 0.92 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2dhk s PRO 110 Cb -1.05 -1.92 0.29 0.00 0.04 0.00 0.00 34.50 31.85 2dhk s PRO 110 CO 0.58 -1.45 1.11 -1.25 0.04 0.00 0.00 177.00 176.03 2dhk s PRO 111 N -4.49 -1.23 1.00 0.56 0.04 -1.26 -4.97 135.00 124.64 2dhk s PRO 111 Ca 0.64 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 2dhk s PRO 111 Cb -0.19 -1.60 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 2dhk s PRO 111 CO 0.49 -3.72 -0.76 0.00 0.04 0.00 0.00 177.00 173.05 2dhk n ALA 112 N -4.76 -5.06 -1.01 8.56 0.00 -1.26 -4.96 120.51 112.02 2dhk n ALA 112 Ca 0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 2dhk n ALA 112 Cb 0.59 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 1.49 -1.52 -3.91 0.00 -0.04 -1.26 -4.08 135.00 125.68 2dhk n PRO 113 Ca -0.00 -0.41 -0.29 0.00 -0.04 0.00 0.00 63.50 62.75 2dhk n PRO 113 Cb 0.61 -0.39 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 2dhk n PRO 113 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dhk n SER 114 N -3.44 -0.35 -4.78 3.54 3.41 -1.26 -4.89 113.62 105.85 2dhk n SER 114 Ca 0.04 -0.99 -0.23 0.00 -0.26 0.00 0.00 58.87 57.43 2dhk n SER 114 Cb 0.14 -1.25 -0.05 0.00 -0.26 0.00 0.00 64.21 62.79 2dhk n SER 114 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dhk s GLY 115 N -3.42 2.03 -0.74 5.00 0.00 -1.26 -5.05 107.32 103.89 2dhk s GLY 115 Ca 0.33 -1.87 -0.26 0.00 0.00 0.00 0.00 44.72 42.93 2dhk s GLY 115 CO 0.80 -1.75 1.89 2.56 0.00 0.00 0.00 173.10 176.60 2dhk s PRO 116 N -3.94 2.60 -0.08 2.90 0.04 -1.26 -4.92 135.00 130.35 2dhk s PRO 116 Ca 0.41 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 2dhk s PRO 116 Cb -0.02 -4.68 0.04 0.00 0.04 0.00 0.00 34.50 29.88 2dhk s PRO 116 CO 0.24 -3.01 0.14 -1.12 0.04 0.00 0.00 177.00 173.30 2dhk s SER 117 N 8.05 0.79 0.02 6.66 0.01 -1.26 -5.15 113.70 122.82 2dhk s SER 117 Ca 0.68 0.29 0.05 0.00 1.31 0.00 0.00 55.95 58.28 2dhk s SER 117 Cb -0.10 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2dhk s SER 117 CO 0.11 -0.24 -0.16 -0.44 0.41 0.00 0.00 173.24 172.92 2dhk s SER 118 N 2.23 1.94 0.00 2.44 0.01 -1.26 -5.21 113.70 113.86 2dhk s SER 118 Ca 0.03 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2dhk s SER 118 Cb -0.12 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2dhk s SER 118 CO -0.05 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.35