#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 -0.08 -0.04 1.61 0.15 -1.26 -5.18 113.70 108.90 2dhk s SER 2 Ca 0.00 -0.70 -0.31 0.00 0.70 0.00 0.00 55.95 55.64 2dhk s SER 2 Cb 0.00 0.49 0.12 0.00 -1.71 0.00 0.00 66.02 64.91 2dhk s SER 2 CO 0.00 -0.95 1.19 -0.55 1.20 0.00 0.00 173.24 174.14 2dhk s SER 3 N -2.92 -0.12 -0.37 5.45 0.15 -1.26 -5.01 113.70 109.62 2dhk s SER 3 Ca 0.13 -0.12 0.13 0.00 0.70 0.00 0.00 55.95 56.79 2dhk s SER 3 Cb 0.02 0.22 0.43 0.00 -1.71 0.00 0.00 66.02 64.98 2dhk s SER 3 CO -0.02 -0.38 0.98 0.61 1.20 0.00 0.00 173.24 175.62 2dhk n GLY 4 N -0.36 3.17 0.53 9.45 0.00 -1.26 -4.91 105.19 111.83 2dhk n GLY 4 Ca -0.06 -1.82 0.39 0.00 0.00 0.00 0.00 46.02 44.53 2dhk n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dhk h SER 5 N 2.88 0.16 -6.10 1.61 0.02 -1.98 -3.44 113.55 106.70 2dhk h SER 5 Ca 0.04 0.07 -0.43 0.00 -0.84 0.00 0.00 61.79 60.63 2dhk h SER 5 Cb 1.06 0.05 0.04 0.00 0.14 0.00 0.00 62.40 63.69 2dhk h SER 5 CO 0.61 -0.06 -0.79 -1.20 -1.14 0.00 0.00 176.83 174.25 2dhk n SER 6 N -4.38 -2.77 0.00 3.07 7.64 -1.26 -4.87 113.62 111.05 2dhk n SER 6 Ca 0.35 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2dhk n SER 6 Cb 1.46 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 60.49 2dhk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhk n GLY 7 N -1.61 -2.09 1.96 0.23 0.00 -1.26 -4.99 105.19 97.43 2dhk n GLY 7 Ca -0.17 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.46 3.20 -4.81 1.61 2.85 -1.26 -5.00 118.16 114.29 2dhk n LYS 8 Ca 0.00 -3.87 -0.25 0.00 -1.05 0.00 0.00 58.31 53.14 2dhk n LYS 8 Cb 0.00 -2.22 -0.15 0.00 -0.65 0.00 0.00 35.03 32.01 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 -3.61 1.44 -0.23 -1.58 1.02 -1.26 -4.99 119.74 110.53 2dhk s LYS 9 Ca 0.53 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 2dhk s LYS 9 Cb 0.43 -1.42 0.07 0.00 -0.52 0.00 0.00 37.83 36.39 2dhk s LYS 9 CO 0.02 0.38 0.04 -1.17 -0.92 0.00 0.00 175.35 173.70 2dhk s LEU 10 N -0.59 1.61 0.11 3.17 2.96 -1.26 -5.04 118.68 119.64 2dhk s LEU 10 Ca 0.07 -1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 52.86 2dhk s LEU 10 Cb -0.07 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2dhk s LEU 10 CO -0.00 -0.32 0.12 0.00 -1.32 0.00 0.00 176.35 174.82 2dhk n GLY 12 N -0.07 2.27 3.80 0.00 0.00 -0.55 -5.02 105.19 105.61 2dhk n GLY 12 Ca -0.10 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 3.70 0.24 1.61 1.51 -1.26 -1.75 117.35 119.40 2dhk s TYR 13 Ca 0.00 1.04 0.02 0.00 -1.01 0.00 0.00 57.07 57.12 2dhk s TYR 13 Cb 0.00 -2.41 -0.05 0.00 -0.11 0.00 0.00 41.96 39.39 2dhk s TYR 13 CO 0.00 0.52 0.05 -0.51 -1.11 0.00 0.00 175.55 174.50 2dhk s LEU 14 N -0.67 1.92 -0.38 -1.29 1.43 -0.75 -4.84 118.68 114.09 2dhk s LEU 14 Ca 0.26 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 2dhk s LEU 14 Cb -0.17 -0.11 0.06 0.00 0.03 0.00 0.00 46.19 46.00 2dhk s LEU 14 CO 0.14 -0.63 0.19 -0.44 0.23 0.00 0.00 176.35 175.84 2dhk s SER 15 N -3.31 5.53 -0.23 2.29 0.01 -1.23 -2.35 113.70 114.41 2dhk s SER 15 Ca 0.33 -1.31 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 2dhk s SER 15 Cb 0.07 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 2dhk s SER 15 CO 0.11 -0.44 1.42 -0.75 0.41 0.00 0.00 173.24 173.99 2dhk s LYS 16 N 1.43 3.97 0.36 12.44 2.47 -0.67 -3.64 119.74 136.09 2dhk s LYS 16 Ca 0.01 1.54 -0.12 0.00 -1.56 0.00 0.00 55.97 55.85 2dhk s LYS 16 Cb -0.21 -3.91 -0.07 0.00 -1.46 0.00 0.00 37.83 32.18 2dhk s LYS 16 CO 0.03 -1.06 0.74 0.12 0.16 0.00 0.00 175.35 175.34 2dhk s PHE 17 N 4.40 3.43 0.00 4.03 5.36 -1.06 -1.48 117.98 132.66 2dhk s PHE 17 Ca 0.62 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 2dhk s PHE 17 Cb -0.22 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 2dhk s PHE 17 CO 0.24 -0.00 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 2dhk n GLY 18 N -0.87 2.13 4.98 13.12 0.00 -1.15 -4.80 105.19 118.60 2dhk n GLY 18 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.51 3.55 -0.02 0.00 -1.26 -4.74 105.19 103.23 2dhk n GLY 19 Ca 0.00 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 2dhk n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhk s LYS 20 N 0.00 2.02 0.00 1.61 2.47 -1.26 -4.75 119.74 119.83 2dhk s LYS 20 Ca 0.00 0.80 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 2dhk s LYS 20 Cb 0.00 -4.68 0.00 0.00 -1.46 0.00 0.00 37.83 31.69 2dhk s LYS 20 CO 0.00 -3.66 0.00 0.41 0.16 0.00 0.00 175.35 172.26 2dhk n GLY 21 N 6.35 3.73 0.20 5.54 0.00 -1.26 -5.00 105.19 114.75 2dhk n GLY 21 Ca 0.39 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 0.36 -6.74 1.61 0.13 -1.99 -3.45 132.00 121.91 2dhk h PRO 22 Ca 0.00 -0.19 -0.44 0.00 -0.87 0.00 0.00 66.00 64.50 2dhk h PRO 22 Cb 0.00 0.01 0.04 0.00 0.13 0.00 0.00 31.00 31.18 2dhk h PRO 22 CO 0.00 0.74 -0.08 0.96 -0.23 0.00 0.00 178.00 179.38 2dhk s ILE 23 N -4.10 2.59 -0.50 -3.56 -0.00 -1.26 -5.08 121.20 109.29 2dhk s ILE 23 Ca -0.05 -0.80 0.03 0.00 -0.00 0.00 0.00 60.65 59.83 2dhk s ILE 23 Cb 0.13 -2.80 0.13 0.00 -0.00 0.00 0.00 42.46 39.92 2dhk s ILE 23 CO 0.80 0.00 0.24 -0.13 -0.00 0.00 0.00 174.94 175.85 2dhk s ARG 24 N -4.70 1.96 0.20 0.37 1.81 -1.26 -4.67 118.95 112.66 2dhk s ARG 24 Ca 0.59 -2.51 0.05 0.00 -1.72 0.00 0.00 55.73 52.14 2dhk s ARG 24 Cb -0.09 -3.34 -0.05 0.00 -0.45 0.00 0.00 34.95 31.02 2dhk s ARG 24 CO 0.38 -1.09 -0.06 0.20 -0.68 0.00 0.00 175.30 174.05 2dhk s GLY 25 N -0.03 1.38 -0.01 -3.53 0.00 -1.26 -4.71 107.32 99.16 2dhk s GLY 25 Ca 0.16 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 2dhk s GLY 25 CO -0.01 -1.66 0.99 -0.98 0.00 0.00 0.00 173.10 171.44 2dhk s TRP 26 N -3.30 3.63 0.27 1.90 0.52 -1.26 -2.94 118.94 117.75 2dhk s TRP 26 Ca 0.23 1.67 0.11 0.00 0.02 0.00 0.00 56.10 58.14 2dhk s TRP 26 Cb 0.04 -3.14 -0.05 0.00 -1.15 0.00 0.00 33.47 29.17 2dhk s TRP 26 CO 0.06 -0.09 -0.16 0.15 0.02 0.00 0.00 176.95 176.93 2dhk s LYS 27 N 1.13 1.80 -0.40 4.98 3.01 -0.55 -4.93 119.74 124.79 2dhk s LYS 27 Ca 0.52 -1.67 -0.25 0.00 -1.01 0.00 0.00 55.97 53.56 2dhk s LYS 27 Cb -0.21 -1.87 0.02 0.00 -1.01 0.00 0.00 37.83 34.76 2dhk s LYS 27 CO 0.27 0.35 0.89 -1.12 0.51 0.00 0.00 175.35 176.24 2dhk s SER 28 N -3.46 6.58 -0.02 2.83 0.01 -1.26 -1.67 113.70 116.70 2dhk s SER 28 Ca 0.29 0.34 -0.00 0.00 1.31 0.00 0.00 55.95 57.90 2dhk s SER 28 Cb -0.06 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2dhk s SER 28 CO 0.16 -0.89 0.03 -0.13 0.41 0.00 0.00 173.24 172.81 2dhk s ARG 29 N 3.47 -0.01 -0.04 12.44 1.81 -0.99 -4.88 118.95 130.75 2dhk s ARG 29 Ca 0.36 0.14 -0.22 0.00 -1.72 0.00 0.00 55.73 54.28 2dhk s ARG 29 Cb -0.12 -0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 2dhk s ARG 29 CO 0.21 -0.11 0.66 -0.46 -0.68 0.00 0.00 175.30 174.92 2dhk s TRP 30 N 0.70 3.62 -0.10 -0.53 -0.11 0.32 -1.81 118.94 121.03 2dhk s TRP 30 Ca -0.06 1.23 0.04 0.00 1.22 0.00 0.00 56.10 58.53 2dhk s TRP 30 Cb -0.08 -2.72 -0.00 0.00 -1.50 0.00 0.00 33.47 29.16 2dhk s TRP 30 CO -0.02 0.20 -0.23 -0.06 -4.62 0.00 0.00 176.95 172.22 2dhk s PHE 31 N 0.37 2.57 -0.00 5.86 0.40 -0.72 0.81 117.98 127.27 2dhk s PHE 31 Ca 0.35 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2dhk s PHE 31 Cb -0.18 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.65 2dhk s PHE 31 CO 0.18 -0.39 0.00 -0.59 0.70 0.00 0.00 175.22 175.12 2dhk s PHE 32 N 0.30 0.04 0.17 0.36 -0.12 0.14 -1.49 117.98 117.38 2dhk s PHE 32 Ca -0.17 0.02 -0.22 0.00 -0.05 0.00 0.00 56.93 56.51 2dhk s PHE 32 Cb -0.17 -0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.07 2dhk s PHE 32 CO 0.08 -0.02 0.71 -0.47 -0.05 0.00 0.00 175.22 175.47 2dhk s TYR 33 N 0.19 3.79 -0.41 3.49 5.04 -0.45 -0.32 117.35 128.67 2dhk s TYR 33 Ca -0.02 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 2dhk s TYR 33 Cb -0.02 -2.65 0.11 0.00 0.35 0.00 0.00 41.96 39.74 2dhk s TYR 33 CO -0.01 0.47 0.20 0.34 -1.34 0.00 0.00 175.55 175.21 2dhk s ASP 34 N -1.33 5.26 0.00 4.32 2.15 0.76 -4.76 116.67 123.06 2dhk s ASP 34 Ca 0.37 -2.00 0.12 0.00 0.43 0.00 0.00 52.55 51.47 2dhk s ASP 34 Cb -0.20 -1.83 0.60 0.00 -0.30 0.00 0.00 42.92 41.20 2dhk s ASP 34 CO 0.23 -0.54 1.32 -1.84 -0.17 0.00 0.00 175.17 174.17 2dhk n GLU 35 N 4.60 0.15 -0.02 4.34 0.28 -1.26 -1.04 120.64 127.68 2dhk n GLU 35 Ca -0.03 0.19 -0.16 0.00 -0.16 0.00 0.00 57.16 57.00 2dhk n GLU 35 Cb 0.41 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.70 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 0.00 0.53 -0.06 3.44 2.47 -1.93 -3.33 114.38 115.50 2dhk h ARG 36 Ca 0.00 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2dhk h ARG 36 Cb 0.13 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2dhk h ARG 36 CO 0.00 1.08 0.00 1.63 0.56 0.00 0.00 179.97 183.24 2dhk n LYS 37 N -4.20 2.11 -4.08 0.04 5.02 -1.07 -4.41 118.16 111.57 2dhk n LYS 37 Ca -0.08 -2.26 -0.32 0.00 -2.02 0.00 0.00 58.31 53.63 2dhk n LYS 37 Cb 0.63 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 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 -6.74 1.88 -0.32 0.00 -0.21 -0.90 -4.36 119.66 109.01 2dhk s GLN 39 Ca 0.50 -2.13 0.02 0.00 0.02 0.00 0.00 55.36 53.77 2dhk s GLN 39 Cb -0.27 -0.68 0.08 0.00 1.00 0.00 0.00 33.01 33.14 2dhk s GLN 39 CO 0.89 -0.42 0.01 -1.17 -2.12 0.00 0.00 175.29 172.49 2dhk s LEU 40 N -3.59 4.25 -0.18 2.90 2.96 -0.83 -0.17 118.68 124.02 2dhk s LEU 40 Ca 0.26 -1.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.33 2dhk s LEU 40 Cb 0.04 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 2dhk s LEU 40 CO 0.14 -0.32 0.14 -0.31 -1.32 0.00 0.00 176.35 174.69 2dhk s TYR 41 N 1.06 3.45 -0.02 5.38 1.51 0.56 -1.72 117.35 127.57 2dhk s TYR 41 Ca 0.01 0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 2dhk s TYR 41 Cb -0.20 -2.14 -0.00 0.00 -0.11 0.00 0.00 41.96 39.51 2dhk s TYR 41 CO -0.05 0.36 -0.09 1.52 -1.11 0.00 0.00 175.55 176.18 2dhk s TYR 42 N 0.13 0.92 0.24 2.71 -0.85 -0.97 0.26 117.35 119.79 2dhk s TYR 42 Ca 0.10 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.49 2dhk s TYR 42 Cb -0.11 -0.63 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 2dhk s TYR 42 CO -0.01 -0.06 0.16 0.45 -1.52 0.00 0.00 175.55 174.57 2dhk n SER 43 N 3.09 0.10 -0.12 -0.18 2.88 0.24 -2.56 113.62 117.08 2dhk n SER 43 Ca -0.16 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2dhk n SER 43 Cb 0.55 0.98 0.27 0.00 -0.75 0.00 0.00 64.21 65.26 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 0.79 -4.90 -1.46 3.08 -1.90 0.93 114.38 110.92 2dhk h ARG 44 Ca -0.18 -0.10 -0.46 0.00 0.07 0.00 0.00 59.98 59.32 2dhk h ARG 44 Cb 0.81 -0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.58 2dhk h ARG 44 CO 0.27 0.61 -0.52 0.95 -1.07 0.00 0.00 179.97 180.21 2dhk s THR 45 N -5.45 0.17 -0.63 2.04 -4.23 -1.26 -3.78 115.64 102.49 2dhk s THR 45 Ca -0.10 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.66 2dhk s THR 45 Cb 0.17 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.63 2dhk s THR 45 CO 0.78 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 176.24 2dhk h ALA 46 N 2.13 0.65 -0.46 3.99 0.00 -1.92 -3.30 119.26 120.35 2dhk h ALA 46 Ca -0.29 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2dhk h ALA 46 Cb 1.24 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2dhk h ALA 46 CO 0.44 0.00 0.09 1.04 0.00 0.00 0.00 179.25 180.82 2dhk n GLN 47 N -2.19 2.73 -2.42 0.00 6.02 -1.26 -4.94 117.38 115.33 2dhk n GLN 47 Ca 0.03 -3.03 -0.40 0.00 -0.01 0.00 0.00 57.00 53.60 2dhk n GLN 47 Cb 0.45 -1.95 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 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 -1.87 5.97 0.27 1.08 -1.08 -1.24 -4.86 116.67 114.94 2dhk s ASP 48 Ca 0.47 -0.43 0.12 0.00 -0.52 0.00 0.00 52.55 52.20 2dhk s ASP 48 Cb 0.40 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 40.21 2dhk s ASP 48 CO 0.07 -1.95 1.19 0.00 0.52 0.00 0.00 175.17 175.00 2dhk n ALA 49 N 10.25 0.68 -3.78 3.66 0.00 -1.26 -3.82 120.51 126.23 2dhk n ALA 49 Ca 0.12 0.78 -0.30 0.00 0.00 0.00 0.00 53.44 54.05 2dhk n ALA 49 Cb 0.50 -0.72 -0.17 0.00 0.00 0.00 0.00 19.45 19.06 2dhk n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dhk s ASN 50 N -4.73 2.61 0.57 0.00 2.20 -1.26 -5.13 114.94 109.20 2dhk s ASN 50 Ca -0.08 -0.47 -0.18 0.00 -0.94 0.00 0.00 52.86 51.19 2dhk s ASN 50 Cb 0.25 -1.16 -0.04 0.00 -2.00 0.00 0.00 41.25 38.29 2dhk s ASN 50 CO 0.59 -0.00 1.12 -2.16 -2.94 0.00 0.00 177.10 173.71 2dhk s PRO 51 N 1.14 3.21 0.01 3.55 0.04 -1.25 -4.93 135.00 136.76 2dhk s PRO 51 Ca -0.03 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 2dhk s PRO 51 Cb -0.14 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.24 2dhk s PRO 51 CO -0.05 -0.96 1.20 -0.07 0.04 0.00 0.00 177.00 177.17 2dhk h LEU 52 N 0.88 -0.37 -8.13 -3.56 3.38 -1.86 -3.48 115.31 102.17 2dhk h LEU 52 Ca -0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 2dhk h LEU 52 Cb 1.26 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 2dhk h LEU 52 CO 0.56 0.01 0.06 -1.81 0.09 0.00 0.00 178.44 177.35 2dhk s ASP 53 N -5.06 -0.12 0.17 -0.43 1.11 -1.18 -5.06 116.67 106.11 2dhk s ASP 53 Ca -0.14 -0.83 0.03 0.00 0.18 0.00 0.00 52.55 51.80 2dhk s ASP 53 Cb 0.02 0.67 -0.05 0.00 1.07 0.00 0.00 42.92 44.64 2dhk s ASP 53 CO 0.53 -1.28 -0.05 -0.94 1.18 0.00 0.00 175.17 174.61 2dhk s SER 54 N -2.99 1.61 -0.03 0.27 1.04 -1.26 -2.30 113.70 110.05 2dhk s SER 54 Ca 0.17 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 2dhk s SER 54 Cb -0.03 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.15 2dhk s SER 54 CO 0.09 -0.45 0.04 -0.63 0.98 0.00 0.00 173.24 173.27 2dhk s ILE 55 N -3.46 -0.08 -0.46 -1.02 1.09 -0.70 -4.97 121.20 111.60 2dhk s ILE 55 Ca 0.21 0.29 -0.28 0.00 -1.10 0.00 0.00 60.65 59.77 2dhk s ILE 55 Cb 0.04 -0.11 0.01 0.00 -1.06 0.00 0.00 42.46 41.35 2dhk s ILE 55 CO 0.03 0.12 1.45 -0.62 -0.10 0.00 0.00 174.94 175.82 2dhk s ASP 56 N 1.44 6.20 0.32 3.58 -1.08 -1.26 -1.97 116.67 123.91 2dhk s ASP 56 Ca -0.04 0.66 0.16 0.00 -0.52 0.00 0.00 52.55 52.81 2dhk s ASP 56 Cb -0.13 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.23 2dhk s ASP 56 CO -0.03 -1.58 1.62 -0.07 0.52 0.00 0.00 175.17 175.63 2dhk h LEU 57 N 12.75 0.00 -1.36 -1.34 3.38 -1.92 -3.22 115.31 123.60 2dhk h LEU 57 Ca -0.28 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.08 2dhk h LEU 57 Cb 1.11 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 2dhk h LEU 57 CO 1.12 0.47 0.78 0.77 0.09 0.00 0.00 178.44 181.67 2dhk h SER 58 N 0.00 0.31 -0.46 -0.43 4.64 -1.89 0.20 113.55 115.91 2dhk h SER 58 Ca -0.00 0.13 -0.34 0.00 -0.47 0.00 0.00 61.79 61.11 2dhk h SER 58 Cb 1.10 0.11 -0.33 0.00 -0.31 0.00 0.00 62.40 62.96 2dhk h SER 58 CO 0.06 -0.13 -0.84 -1.20 -0.87 0.00 0.00 176.83 173.85 2dhk n SER 59 N -4.72 3.21 -4.21 4.97 7.64 -1.22 -4.97 113.62 114.32 2dhk n SER 59 Ca 0.34 -3.26 -0.33 0.00 1.01 0.00 0.00 58.87 56.63 2dhk n SER 59 Cb 1.28 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 63.91 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 -3.25 2.40 -0.26 -0.43 0.00 0.70 -4.33 121.76 116.59 2dhk s ALA 60 Ca 0.42 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2dhk s ALA 60 Cb 0.38 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2dhk s ALA 60 CO -0.02 -0.12 0.24 0.54 0.00 0.00 0.00 175.76 176.40 2dhk s VAL 61 N 0.96 5.29 -0.19 0.00 0.11 -0.66 -4.91 120.40 121.00 2dhk s VAL 61 Ca -0.03 0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.16 2dhk s VAL 61 Cb -0.15 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2dhk s VAL 61 CO -0.04 0.26 0.41 -0.36 -3.33 0.00 0.00 175.10 172.05 2dhk s PHE 62 N 1.58 3.39 0.34 1.54 0.08 -1.26 -0.92 117.98 122.72 2dhk s PHE 62 Ca 0.10 0.65 0.04 0.00 0.12 0.00 0.00 56.93 57.84 2dhk s PHE 62 Cb -0.15 -2.54 -0.06 0.00 -0.57 0.00 0.00 43.02 39.70 2dhk s PHE 62 CO 0.09 0.00 0.06 0.34 -0.10 0.00 0.00 175.22 175.60 2dhk s ASP 63 N 1.01 2.53 -0.10 1.36 2.15 0.28 -4.94 116.67 118.96 2dhk s ASP 63 Ca 0.20 -1.39 0.01 0.00 0.43 0.00 0.00 52.55 51.79 2dhk s ASP 63 Cb -0.15 -0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.37 2dhk s ASP 63 CO 0.08 -0.61 -0.11 0.00 -0.17 0.00 0.00 175.17 174.36 2dhk s LYS 65 N -0.17 1.30 0.20 0.00 -0.14 0.07 -4.89 119.74 116.10 2dhk s LYS 65 Ca 0.01 0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 55.32 2dhk s LYS 65 Cb -0.13 -1.81 0.24 0.00 -1.68 0.00 0.00 37.83 34.44 2dhk s LYS 65 CO 0.03 -2.21 1.73 0.00 -0.76 0.00 0.00 175.35 174.14 2dhk h ALA 66 N -1.53 0.68 -0.17 5.17 0.00 -2.00 -0.45 119.26 120.97 2dhk h ALA 66 Ca -0.49 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2dhk h ALA 66 Cb 1.28 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2dhk h ALA 66 CO 0.55 -0.24 0.14 -0.40 0.00 0.00 0.00 179.25 179.29 2dhk n ASP 67 N -5.05 4.61 0.09 0.00 5.75 -1.26 -4.43 116.55 116.26 2dhk n ASP 67 Ca 0.07 -2.49 0.20 0.00 -0.01 0.00 0.00 54.79 52.57 2dhk n ASP 67 Cb 0.26 -0.87 0.75 0.00 -1.03 0.00 0.00 41.12 40.23 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dhk h ALA 68 N 1.46 2.15 -1.64 2.12 0.00 -1.33 -1.97 119.26 120.05 2dhk h ALA 68 Ca 0.11 -0.01 0.51 0.00 0.00 0.00 0.00 54.91 55.52 2dhk h ALA 68 Cb 1.12 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2dhk h ALA 68 CO 0.24 -0.62 1.12 1.05 0.00 0.00 0.00 179.25 181.04 2dhk h GLU 69 N 0.00 0.01 0.14 0.00 4.11 -1.85 0.72 114.58 117.71 2dhk h GLU 69 Ca 0.20 -0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.33 2dhk h GLU 69 Cb 1.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2dhk h GLU 69 CO -0.00 0.01 -1.47 1.49 0.07 0.00 0.00 179.01 179.11 2dhk h GLU 70 N 0.01 0.29 0.00 1.06 4.81 -1.74 -3.36 114.58 115.65 2dhk h GLU 70 Ca 0.89 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2dhk h GLU 70 Cb 3.21 0.19 0.00 0.00 0.63 0.00 0.00 28.75 32.78 2dhk h GLU 70 CO -0.25 1.24 0.00 0.41 -0.73 0.00 0.00 179.01 179.68 2dhk n GLY 71 N 1.77 0.37 3.37 1.92 0.00 0.25 -1.45 105.19 111.42 2dhk n GLY 71 Ca -0.24 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 2.79 0.41 -0.61 1.09 -1.26 -0.28 121.20 123.35 2dhk s ILE 72 Ca 0.00 -0.78 0.04 0.00 -1.10 0.00 0.00 60.65 58.81 2dhk s ILE 72 Cb 0.00 -2.12 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 2dhk s ILE 72 CO 0.00 0.56 0.16 0.72 -0.10 0.00 0.00 174.94 176.27 2dhk s PHE 73 N -0.07 1.78 -0.14 3.97 -0.71 -0.85 -0.75 117.98 121.21 2dhk s PHE 73 Ca -0.04 -1.37 -0.09 0.00 -1.04 0.00 0.00 56.93 54.39 2dhk s PHE 73 Cb -0.14 -1.10 0.05 0.00 -1.21 0.00 0.00 43.02 40.61 2dhk s PHE 73 CO 0.04 -0.40 0.34 -1.21 -1.34 0.00 0.00 175.22 172.65 2dhk s GLU 74 N -3.64 0.35 -0.52 1.99 2.02 0.79 -3.16 118.70 116.52 2dhk s GLU 74 Ca 0.24 0.60 -0.11 0.00 0.02 0.00 0.00 54.97 55.72 2dhk s GLU 74 Cb 0.02 0.04 0.13 0.00 0.10 0.00 0.00 34.13 34.41 2dhk s GLU 74 CO 0.16 -0.12 0.42 0.42 0.02 0.00 0.00 175.26 176.17 2dhk s ILE 75 N 0.90 4.58 -0.34 -1.63 1.01 0.43 -0.56 121.20 125.59 2dhk s ILE 75 Ca -0.06 -1.80 -0.28 0.00 0.00 0.00 0.00 60.65 58.51 2dhk s ILE 75 Cb -0.07 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.45 2dhk s ILE 75 CO -0.07 -0.83 1.02 -0.54 0.00 0.00 0.00 174.94 174.53 2dhk s LYS 76 N 1.28 3.99 0.14 2.79 3.01 -0.10 -1.78 119.74 129.08 2dhk s LYS 76 Ca 0.06 0.89 0.08 0.00 -1.01 0.00 0.00 55.97 55.99 2dhk s LYS 76 Cb -0.26 -3.76 -0.04 0.00 -1.01 0.00 0.00 37.83 32.76 2dhk s LYS 76 CO -0.00 -0.92 -0.17 0.95 0.51 0.00 0.00 175.35 175.72 2dhk s THR 77 N 3.60 1.64 -2.00 2.17 -4.23 -1.26 -1.65 115.64 113.92 2dhk s THR 77 Ca 0.43 -1.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2dhk s THR 77 Cb -0.12 -1.70 0.17 0.00 1.34 0.00 0.00 72.50 72.18 2dhk s THR 77 CO 0.17 -0.32 0.81 -0.81 -0.54 0.00 0.00 174.62 173.93 2dhk n PRO 78 N 0.46 0.49 -0.03 3.99 -0.04 -1.26 -3.18 135.00 135.43 2dhk n PRO 78 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2dhk n PRO 78 Cb 0.57 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.69 0.63 -3.64 3.54 2.88 -1.26 -5.09 113.62 109.99 2dhk n SER 79 Ca 0.04 0.10 -0.05 0.00 -1.33 0.00 0.00 58.87 57.63 2dhk n SER 79 Cb 0.02 -0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.15 0.51 -0.02 -1.46 1.70 -1.19 -5.14 118.95 111.19 2dhk s ARG 80 Ca -0.11 0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 55.65 2dhk s ARG 80 Cb 0.04 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 2dhk s ARG 80 CO 0.14 -0.09 1.25 0.08 -1.08 0.00 0.00 175.30 175.59 2dhk s VAL 81 N 1.15 4.09 -0.03 4.99 1.01 -1.26 -4.06 120.40 126.30 2dhk s VAL 81 Ca -0.06 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.38 2dhk s VAL 81 Cb -0.04 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2dhk s VAL 81 CO -0.14 0.02 -0.07 -0.63 0.00 0.00 0.00 175.10 174.28 2dhk s ILE 82 N 2.08 3.67 -0.29 2.22 -1.09 -0.73 -4.99 121.20 122.06 2dhk s ILE 82 Ca 0.58 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2dhk s ILE 82 Cb -0.27 -2.56 0.08 0.00 -1.58 0.00 0.00 42.46 38.13 2dhk s ILE 82 CO 0.24 0.48 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.54 2dhk s THR 83 N -0.92 1.80 0.11 2.92 2.01 -1.26 -0.43 115.64 119.86 2dhk s THR 83 Ca 0.15 -1.72 0.09 0.00 0.31 0.00 0.00 61.69 60.52 2dhk s THR 83 Cb -0.11 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2dhk s THR 83 CO 0.05 -0.36 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.64 2dhk s LEU 84 N 1.21 2.30 0.26 4.42 1.43 -1.19 -2.56 118.68 124.55 2dhk s LEU 84 Ca 0.02 -0.69 0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2dhk s LEU 84 Cb -0.19 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2dhk s LEU 84 CO -0.10 0.09 -0.21 -1.59 0.23 0.00 0.00 176.35 174.78 2dhk s LYS 85 N -1.91 1.65 0.47 1.70 -2.85 -1.24 -2.01 119.74 115.55 2dhk s LYS 85 Ca 0.08 -1.71 0.05 0.00 -1.00 0.00 0.00 55.97 53.39 2dhk s LYS 85 Cb -0.10 -1.79 -0.03 0.00 -2.06 0.00 0.00 37.83 33.85 2dhk s LYS 85 CO 0.05 0.35 0.14 0.00 0.10 0.00 0.00 175.35 175.99 2dhk s ALA 86 N -2.32 3.85 0.00 0.59 0.00 0.62 -3.57 121.76 120.93 2dhk s ALA 86 Ca 0.28 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 2dhk s ALA 86 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 2dhk s ALA 86 CO 0.14 -0.17 1.00 0.00 0.00 0.00 0.00 175.76 176.73 2dhk h ALA 87 N 1.32 -0.36 -1.98 0.00 0.00 -1.88 -3.44 119.26 112.93 2dhk h ALA 87 Ca -0.42 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 2dhk h ALA 87 Cb 1.28 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 2dhk h ALA 87 CO 0.70 -0.36 -0.50 0.95 0.00 0.00 0.00 179.25 180.05 2dhk s THR 88 N -3.01 0.39 0.51 0.00 -4.23 -1.25 -4.80 115.64 103.25 2dhk s THR 88 Ca -0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2dhk s THR 88 Cb 0.00 -2.37 0.47 0.00 1.34 0.00 0.00 72.50 71.94 2dhk s THR 88 CO 0.00 0.00 1.87 0.50 -0.54 0.00 0.00 174.62 176.46 2dhk h LYS 89 N 1.87 0.08 0.16 3.99 1.63 -1.41 0.11 116.57 122.99 2dhk h LYS 89 Ca -0.32 -0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.17 2dhk h LYS 89 Cb 1.26 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 32.91 2dhk h LYS 89 CO 0.50 0.05 -1.31 0.37 -3.45 0.00 0.00 179.45 175.61 2dhk h GLN 90 N 0.08 0.60 0.02 1.90 4.15 -1.93 -3.20 115.11 116.73 2dhk h GLN 90 Ca 0.45 -0.87 0.01 0.00 0.77 0.00 0.00 58.65 59.01 2dhk h GLN 90 Cb 1.65 0.30 -0.03 0.00 0.21 0.00 0.00 27.48 29.61 2dhk h GLN 90 CO -0.05 1.40 -0.31 0.00 -1.93 0.00 0.00 178.83 177.95 2dhk h ALA 91 N 0.24 -0.77 -0.59 3.38 0.00 -1.16 -2.24 119.26 118.13 2dhk h ALA 91 Ca -0.21 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2dhk h ALA 91 Cb 1.99 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 20.43 2dhk h ALA 91 CO 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.64 2dhk h MET 92 N -0.40 0.12 -1.12 0.00 -0.00 -1.66 0.10 114.93 111.98 2dhk h MET 92 Ca 0.00 -0.01 0.32 0.00 -0.00 0.00 0.00 59.70 60.02 2dhk h MET 92 Cb 0.42 -0.03 -0.11 0.00 -0.00 0.00 0.00 31.60 31.88 2dhk h MET 92 CO -0.19 0.08 0.71 -0.07 -0.00 0.00 0.00 176.91 177.43 2dhk h LEU 93 N 0.12 0.40 -0.49 -0.10 3.38 -1.42 0.72 115.31 117.93 2dhk h LEU 93 Ca 0.30 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.23 2dhk h LEU 93 Cb 0.48 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dhk h LEU 93 CO -0.50 -0.02 -0.51 0.22 0.09 0.00 0.00 178.44 177.72 2dhk h TYR 94 N 0.30 0.81 -0.00 1.13 3.20 -0.23 -1.64 116.97 120.53 2dhk h TYR 94 Ca 0.68 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 2dhk h TYR 94 Cb 1.84 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.95 2dhk h TYR 94 CO -0.00 1.03 -0.01 -1.49 -1.64 0.00 0.00 178.16 176.04 2dhk h TRP 95 N 0.51 0.02 -0.42 -3.82 4.06 0.53 -1.14 115.95 115.69 2dhk h TRP 95 Ca 0.02 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.98 2dhk h TRP 95 Cb 1.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 2dhk h TRP 95 CO 0.05 0.62 0.25 -0.07 -3.56 0.00 0.00 178.44 175.73 2dhk h LEU 96 N -0.59 0.41 0.15 -4.49 3.38 -0.65 0.59 115.31 114.10 2dhk h LEU 96 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dhk h LEU 96 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dhk h LEU 96 CO 0.00 0.29 -0.07 -0.61 0.09 0.00 0.00 178.44 178.14 2dhk h GLN 97 N 0.51 -0.19 0.67 1.13 5.75 -1.37 -2.78 115.11 118.82 2dhk h GLN 97 Ca 0.16 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 2dhk h GLN 97 Cb -0.00 0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.60 2dhk h GLN 97 CO -0.07 0.05 -0.32 1.96 -2.65 0.00 0.00 178.83 177.80 2dhk h GLN 98 N -0.42 -0.87 -0.86 1.69 1.08 -1.06 -3.00 115.11 111.66 2dhk h GLN 98 Ca -0.02 0.06 0.33 0.00 -1.45 0.00 0.00 58.65 57.57 2dhk h GLN 98 Cb 0.33 0.20 -0.16 0.00 -0.05 0.00 0.00 27.48 27.80 2dhk h GLN 98 CO 0.03 -0.58 0.35 1.28 -0.95 0.00 0.00 178.83 178.97 2dhk n LEU 99 N -4.78 0.20 0.10 1.46 4.77 0.20 0.11 117.00 119.06 2dhk n LEU 99 Ca -0.11 1.44 -0.13 0.00 -0.03 0.00 0.00 56.01 57.18 2dhk n LEU 99 Cb 0.36 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 2dhk n LEU 99 CO 0.27 -1.58 0.83 1.56 -1.33 0.00 0.00 177.39 177.14 2dhk h GLN 100 N 0.00 -0.16 -0.99 3.23 4.20 -1.36 -2.72 115.11 117.32 2dhk h GLN 100 Ca 0.68 0.01 0.28 0.00 0.06 0.00 0.00 58.65 59.69 2dhk h GLN 100 Cb 1.73 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 29.36 2dhk h GLN 100 CO -0.70 -0.10 0.07 0.52 -0.67 0.00 0.00 178.83 177.95 2dhk h MET 101 N -0.16 0.01 0.15 1.46 2.86 0.96 1.03 114.93 121.24 2dhk h MET 101 Ca -0.01 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2dhk h MET 101 Cb 0.13 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2dhk h MET 101 CO 0.02 0.01 -0.08 0.87 1.06 0.00 0.00 176.91 178.78 2dhk h LYS 102 N 0.01 -0.21 0.21 1.72 1.79 -1.41 -0.97 116.57 117.71 2dhk h LYS 102 Ca 0.62 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 59.10 2dhk h LYS 102 Cb 1.32 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2dhk h LYS 102 CO -0.91 -0.14 -0.10 -0.09 -1.08 0.00 0.00 179.45 177.13 2dhk h ARG 103 N -0.22 -0.28 -0.96 3.15 2.43 -0.16 -3.29 114.38 115.05 2dhk h ARG 103 Ca -0.01 0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.42 2dhk h ARG 103 Cb 0.18 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 29.61 2dhk h ARG 103 CO 0.02 -0.18 -0.06 1.87 -1.51 0.00 0.00 179.97 180.11 2dhk n TRP 104 N -3.58 0.54 -0.25 2.20 -0.00 0.31 0.47 117.44 117.12 2dhk n TRP 104 Ca -0.04 1.16 0.01 0.00 -0.00 0.00 0.00 57.50 58.63 2dhk n TRP 104 Cb 0.11 -1.17 0.08 0.00 -0.00 0.00 0.00 31.31 30.33 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 -0.01 0.00 5.87 5.08 -1.26 0.89 114.58 125.15 2dhk h GLU 105 Ca 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 2dhk h GLU 105 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2dhk h GLU 105 CO -0.93 -0.01 -0.07 0.35 -1.00 0.00 0.00 179.01 177.36 2dhk h PHE 106 N -0.01 0.00 -0.06 4.33 3.57 -0.05 -0.14 116.94 124.58 2dhk h PHE 106 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2dhk h PHE 106 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2dhk h PHE 106 CO -0.60 0.07 0.00 0.72 -2.23 0.00 0.00 178.31 176.27 2dhk n HIS 107 N -4.19 0.09 -0.05 0.41 8.25 0.31 -2.97 115.22 117.07 2dhk n HIS 107 Ca -0.03 -0.04 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 2dhk n HIS 107 Cb 0.15 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.32 2dhk n HIS 107 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dhk n ASN 108 N -0.28 2.40 -3.38 0.41 3.02 -0.06 -5.00 115.26 112.37 2dhk n ASN 108 Ca 0.02 -1.90 -0.17 0.00 -0.03 0.00 0.00 54.58 52.50 2dhk n ASN 108 Cb 0.09 -0.12 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2dhk n ASN 108 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dhk n SER 109 N 0.13 -4.26 -4.68 6.41 2.88 -1.16 -4.99 113.62 107.95 2dhk n SER 109 Ca 0.06 -0.69 -0.29 0.00 -1.33 0.00 0.00 58.87 56.62 2dhk n SER 109 Cb 0.33 -5.03 0.17 0.00 -0.75 0.00 0.00 64.21 58.93 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 -4.98 0.60 1.05 -1.46 0.04 -1.26 -5.04 135.00 123.96 2dhk s PRO 110 Ca 0.23 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 2dhk s PRO 110 Cb -0.03 -1.75 0.22 0.00 0.04 0.00 0.00 34.50 32.97 2dhk s PRO 110 CO 0.75 -2.63 1.10 -1.25 0.04 0.00 0.00 177.00 175.00 2dhk s PRO 111 N -4.96 -0.02 0.10 0.56 0.04 -1.26 -4.89 135.00 124.58 2dhk s PRO 111 Ca 0.65 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 2dhk s PRO 111 Cb -0.18 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 2dhk s PRO 111 CO 0.57 -3.00 0.49 0.00 0.04 0.00 0.00 177.00 175.11 2dhk n ALA 112 N -4.34 -2.49 -1.04 8.56 0.00 -1.26 -4.91 120.51 115.03 2dhk n ALA 112 Ca 0.07 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.69 2dhk n ALA 112 Cb 0.58 -1.20 0.21 0.00 0.00 0.00 0.00 19.45 19.04 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 0.83 -2.86 -0.08 0.00 -0.04 -1.26 -5.02 135.00 126.57 2dhk n PRO 113 Ca 0.13 -1.49 -0.15 0.00 -0.04 0.00 0.00 63.50 61.95 2dhk n PRO 113 Cb 0.15 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 2dhk n PRO 113 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dhk h SER 114 N -2.49 0.00 -1.12 3.54 4.64 -1.91 -3.49 113.55 112.73 2dhk h SER 114 Ca -0.35 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 2dhk h SER 114 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2dhk h SER 114 CO 0.23 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.91 2dhk n GLY 115 N 1.57 5.60 3.69 -0.77 0.00 -1.26 -5.08 105.19 108.94 2dhk n GLY 115 Ca -0.16 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2dhk n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhk s PRO 116 N 1.82 4.28 0.27 1.61 0.04 -1.26 -5.00 135.00 136.76 2dhk s PRO 116 Ca 0.00 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 2dhk s PRO 116 Cb 0.00 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2dhk s PRO 116 CO 0.00 -0.57 0.46 -1.12 0.04 0.00 0.00 177.00 175.81 2dhk s SER 117 N 1.82 0.19 0.51 6.66 0.01 -1.26 -4.99 113.70 116.64 2dhk s SER 117 Ca 0.65 -1.13 0.07 0.00 1.31 0.00 0.00 55.95 56.85 2dhk s SER 117 Cb -0.33 0.60 0.02 0.00 0.21 0.00 0.00 66.02 66.52 2dhk s SER 117 CO 0.28 -1.18 0.43 -0.44 0.41 0.00 0.00 173.24 172.74 2dhk s SER 118 N -3.09 4.78 0.00 2.44 0.01 -1.26 -5.13 113.70 111.45 2dhk s SER 118 Ca 0.26 -1.06 0.24 0.00 1.31 0.00 0.00 55.95 56.70 2dhk s SER 118 Cb -0.00 0.09 0.23 0.00 0.21 0.00 0.00 66.02 66.54 2dhk s SER 118 CO 0.12 -0.98 1.28 0.61 0.41 0.00 0.00 173.24 174.69