#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhj s SER 2 N 0.00 0.36 -0.61 1.61 0.15 -1.26 -5.10 113.70 108.86 2dhj s SER 2 Ca 0.00 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.73 2dhj s SER 2 Cb 0.00 -0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.35 2dhj s SER 2 CO 0.00 -0.15 0.38 -0.44 1.20 0.00 0.00 173.24 174.23 2dhj s SER 3 N 1.31 4.45 1.60 5.45 0.01 -1.26 -5.04 113.70 120.20 2dhj s SER 3 Ca -0.06 -3.43 0.00 0.00 1.31 0.00 0.00 55.95 53.77 2dhj s SER 3 Cb -0.13 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.54 2dhj s SER 3 CO -0.03 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2dhj n GLY 4 N 2.53 1.75 3.74 3.44 0.00 -1.26 -4.50 105.19 110.90 2dhj n GLY 4 Ca 0.14 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 2dhj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhj s SER 5 N -4.00 6.98 0.08 1.61 1.04 -1.26 -4.98 113.70 113.17 2dhj s SER 5 Ca 0.00 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.38 2dhj s SER 5 Cb 0.00 -2.38 -0.14 0.00 0.10 0.00 0.00 66.02 63.60 2dhj s SER 5 CO 0.00 0.02 1.66 0.28 0.98 0.00 0.00 173.24 176.18 2dhj h SER 6 N 6.03 0.07 0.00 7.02 0.02 -2.02 -3.43 113.55 121.23 2dhj h SER 6 Ca -0.44 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2dhj h SER 6 Cb 1.20 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dhj h SER 6 CO 0.72 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2dhj n GLY 7 N -0.84 -1.31 3.32 -3.77 0.00 -1.26 -5.08 105.19 96.26 2dhj n GLY 7 Ca -0.06 0.61 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 2dhj n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dhj s ASP 8 N 0.00 2.72 -0.33 1.61 1.01 -1.26 -5.07 116.67 115.36 2dhj s ASP 8 Ca 0.00 -0.74 -0.37 0.00 0.71 0.00 0.00 52.55 52.15 2dhj s ASP 8 Cb 0.00 -0.16 -0.13 0.00 1.01 0.00 0.00 42.92 43.64 2dhj s ASP 8 CO 0.00 0.06 2.08 0.00 0.21 0.00 0.00 175.17 177.52 2dhj n ALA 9 N 0.85 0.78 -0.29 5.23 0.00 -1.26 -4.80 120.51 121.01 2dhj n ALA 9 Ca -0.18 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2dhj n ALA 9 Cb 0.54 -2.45 0.27 0.00 0.00 0.00 0.00 19.45 17.81 2dhj n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj h ALA 10 N 10.97 1.19 -2.74 0.00 0.00 -1.52 -3.44 119.26 123.74 2dhj h ALA 10 Ca -0.31 0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dhj h ALA 10 Cb 1.32 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 2dhj h ALA 10 CO 1.01 -0.46 0.28 0.21 0.00 0.00 0.00 179.25 180.29 2dhj s LYS 11 N -5.97 1.14 0.09 0.00 2.20 -1.17 -5.03 119.74 111.00 2dhj s LYS 11 Ca -0.12 -0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 2dhj s LYS 11 Cb 0.25 0.53 0.05 0.00 -1.51 0.00 0.00 37.83 37.15 2dhj s LYS 11 CO 0.77 -0.49 0.51 -1.83 -0.36 0.00 0.00 175.35 173.95 2dhj s GLU 12 N -3.39 1.09 0.00 4.03 -1.05 -1.26 -0.39 118.70 117.72 2dhj s GLU 12 Ca 0.01 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 2dhj s GLU 12 Cb -0.01 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 2dhj s GLU 12 CO -0.10 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.10 2dhj n GLY 13 N 0.12 2.72 3.68 -3.83 0.00 -0.93 -5.02 105.19 101.93 2dhj n GLY 13 Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2dhj n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhj s TRP 14 N -2.00 3.20 0.03 1.61 0.52 -1.26 -1.40 118.94 119.63 2dhj s TRP 14 Ca 0.00 1.26 -0.03 0.00 0.02 0.00 0.00 56.10 57.35 2dhj s TRP 14 Cb 0.00 -3.39 -0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2dhj s TRP 14 CO 0.00 -1.14 0.05 -0.51 0.02 0.00 0.00 176.95 175.36 2dhj s LEU 15 N 2.47 2.00 -0.47 2.99 1.43 -1.25 -4.75 118.68 121.10 2dhj s LEU 15 Ca 0.54 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 2dhj s LEU 15 Cb -0.22 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.43 2dhj s LEU 15 CO 0.19 -0.44 0.81 -1.00 0.23 0.00 0.00 176.35 176.13 2dhj s HIS 16 N -2.30 2.96 -0.34 0.29 3.76 -1.21 -2.48 115.29 115.96 2dhj s HIS 16 Ca -0.08 0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 2dhj s HIS 16 Cb -0.03 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 29.91 2dhj s HIS 16 CO -0.04 -1.06 0.44 0.12 -0.85 0.00 0.00 174.74 173.36 2dhj s PHE 17 N 3.38 3.20 -0.33 1.40 5.36 -0.70 -2.96 117.98 127.33 2dhj s PHE 17 Ca 0.29 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.39 2dhj s PHE 17 Cb -0.13 -2.79 0.10 0.00 -0.34 0.00 0.00 43.02 39.86 2dhj s PHE 17 CO 0.22 -0.47 0.06 0.50 -1.46 0.00 0.00 175.22 174.06 2dhj s ARG 18 N 2.21 1.21 0.28 10.12 3.52 -1.04 0.76 118.95 136.01 2dhj s ARG 18 Ca 0.16 -1.57 -0.29 0.00 -0.13 0.00 0.00 55.73 53.89 2dhj s ARG 18 Cb -0.16 -2.75 -0.10 0.00 -1.56 0.00 0.00 34.95 30.38 2dhj s ARG 18 CO 0.12 -0.95 1.25 -1.25 -0.81 0.00 0.00 175.30 173.66 2dhj s PRO 19 N 1.17 4.45 -0.09 5.12 0.04 -1.26 0.40 135.00 144.83 2dhj s PRO 19 Ca 0.10 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2dhj s PRO 19 Cb -0.18 -3.14 -0.14 0.00 0.04 0.00 0.00 34.50 31.07 2dhj s PRO 19 CO -0.14 -0.09 0.62 -0.07 0.04 0.00 0.00 177.00 177.35 2dhj h LEU 20 N 4.08 -0.09 -7.77 -3.56 4.07 -0.72 -3.46 115.31 107.85 2dhj h LEU 20 Ca -0.47 -0.44 -0.33 0.00 0.08 0.00 0.00 57.88 56.72 2dhj h LEU 20 Cb 1.22 0.02 -0.31 0.00 1.08 0.00 0.00 40.66 42.67 2dhj h LEU 20 CO 0.69 0.57 -0.75 0.68 -1.08 0.00 0.00 178.44 178.55 2dhj s VAL 21 N -2.61 0.31 -0.03 1.22 -7.23 -1.26 -5.01 120.40 105.80 2dhj s VAL 21 Ca -0.11 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2dhj s VAL 21 Cb -0.01 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 2dhj s VAL 21 CO 0.41 0.13 -0.01 0.35 -0.31 0.00 0.00 175.10 175.66 2dhj n THR 22 N 3.47 0.15 -1.55 5.32 -2.24 -1.26 -4.38 114.28 113.80 2dhj n THR 22 Ca -0.19 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 2dhj n THR 22 Cb 0.55 -0.71 0.20 0.00 -2.10 0.00 0.00 70.33 68.27 2dhj n THR 22 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dhj s ASP 23 N -3.94 2.30 -0.11 3.42 -4.77 -1.26 -5.05 116.67 107.27 2dhj s ASP 23 Ca -0.03 0.50 -0.07 0.00 -3.30 0.00 0.00 52.55 49.65 2dhj s ASP 23 Cb 0.01 -0.69 -0.02 0.00 -1.09 0.00 0.00 42.92 41.12 2dhj s ASP 23 CO 0.07 -3.26 -0.13 0.11 0.70 0.00 0.00 175.17 172.66 2dhj h LYS 24 N -1.99 0.00 -1.08 2.11 1.57 -2.04 -3.45 116.57 111.69 2dhj h LYS 24 Ca -0.45 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.96 2dhj h LYS 24 Cb 1.27 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.24 2dhj h LYS 24 CO 0.40 0.00 -1.00 0.41 -0.57 0.00 0.00 179.45 178.69 2dhj n GLY 25 N 1.65 2.07 3.61 3.86 0.00 -1.26 -5.12 105.19 110.01 2dhj n GLY 25 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 2dhj n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhj s LYS 26 N -2.07 2.00 -0.40 1.61 -0.14 -1.26 -5.05 119.74 114.43 2dhj s LYS 26 Ca 0.30 -1.85 -0.27 0.00 -1.36 0.00 0.00 55.97 52.80 2dhj s LYS 26 Cb 0.40 -1.84 -0.06 0.00 -1.68 0.00 0.00 37.83 34.65 2dhj s LYS 26 CO -0.03 0.10 2.35 0.50 -0.76 0.00 0.00 175.35 177.51 2dhj s ARG 27 N -3.70 2.43 -0.38 1.68 3.00 -1.26 -4.92 118.95 115.81 2dhj s ARG 27 Ca 0.35 1.61 -0.14 0.00 -1.00 0.00 0.00 55.73 56.55 2dhj s ARG 27 Cb 0.02 -4.52 0.00 0.00 0.00 0.00 0.00 34.95 30.46 2dhj s ARG 27 CO 0.19 -2.90 0.27 0.08 0.00 0.00 0.00 175.30 172.93 2dhj s VAL 28 N 10.94 5.20 0.00 7.11 1.01 -1.26 -4.82 120.40 138.59 2dhj s VAL 28 Ca 0.98 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2dhj s VAL 28 Cb -0.22 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2dhj s VAL 28 CO 0.29 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2dhj n GLY 29 N 5.12 2.71 3.27 4.51 0.00 -1.26 -4.98 105.19 114.57 2dhj n GLY 29 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2dhj n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhj n GLY 30 N 0.00 1.97 0.80 -0.02 0.00 -1.26 -4.70 105.19 101.98 2dhj n GLY 30 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2dhj n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhj n SER 31 N 1.34 2.23 -4.23 1.61 3.41 -1.26 -4.83 113.62 111.88 2dhj n SER 31 Ca 0.00 -2.19 -0.24 0.00 -0.26 0.00 0.00 58.87 56.18 2dhj n SER 31 Cb 0.00 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.42 2dhj n SER 31 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dhj s ILE 32 N -1.65 1.57 0.50 -1.33 -1.09 -1.26 -5.12 121.20 112.81 2dhj s ILE 32 Ca 0.20 -1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 57.22 2dhj s ILE 32 Cb 0.13 -1.38 -0.08 0.00 -1.58 0.00 0.00 42.46 39.56 2dhj s ILE 32 CO 0.10 0.14 1.07 -0.13 -1.23 0.00 0.00 174.94 174.88 2dhj s ARG 33 N -1.26 3.68 0.00 2.79 1.81 -1.26 -5.03 118.95 119.69 2dhj s ARG 33 Ca 0.06 1.46 -0.00 0.00 -1.72 0.00 0.00 55.73 55.53 2dhj s ARG 33 Cb -0.09 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 2dhj s ARG 33 CO 0.02 -0.55 0.00 -0.35 -0.68 0.00 0.00 175.30 173.74 2dhj n PRO 34 N -1.00 -1.03 -0.90 3.54 -0.04 -1.26 -4.92 135.00 129.38 2dhj n PRO 34 Ca 0.10 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 2dhj n PRO 34 Cb 0.52 -0.01 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 2dhj n PRO 34 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dhj n TRP 35 N -2.52 -2.64 -3.85 0.54 7.02 -1.26 -4.90 117.44 109.82 2dhj n TRP 35 Ca 0.00 0.25 -0.30 0.00 -1.02 0.00 0.00 57.50 56.44 2dhj n TRP 35 Cb 0.00 -1.23 -0.14 0.00 -2.42 0.00 0.00 31.31 27.52 2dhj n TRP 35 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2dhj s LYS 36 N -0.95 1.57 -0.23 -0.99 -0.14 0.23 -4.92 119.74 114.30 2dhj s LYS 36 Ca 0.40 -2.19 -0.28 0.00 -1.36 0.00 0.00 55.97 52.53 2dhj s LYS 36 Cb -0.32 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2dhj s LYS 36 CO 0.53 -1.10 1.95 -1.14 -0.76 0.00 0.00 175.35 174.83 2dhj s GLN 37 N 0.23 3.40 -0.23 1.68 0.74 -1.26 -1.72 119.66 122.49 2dhj s GLN 37 Ca 0.16 1.81 -0.16 0.00 0.05 0.00 0.00 55.36 57.22 2dhj s GLN 37 Cb -0.24 -4.24 0.07 0.00 1.10 0.00 0.00 33.01 29.70 2dhj s GLN 37 CO -0.03 -1.78 0.59 0.00 -0.55 0.00 0.00 175.29 173.52 2dhj s MET 38 N 5.66 0.62 -0.39 1.67 0.23 -1.04 -4.89 119.30 121.18 2dhj s MET 38 Ca 0.87 1.00 -0.40 0.00 -1.03 0.00 0.00 55.69 56.14 2dhj s MET 38 Cb -0.29 0.16 -0.15 0.00 -1.53 0.00 0.00 34.83 33.02 2dhj s MET 38 CO 0.34 -0.13 2.04 0.98 -2.03 0.00 0.00 175.02 176.22 2dhj n TYR 39 N 3.85 1.59 -3.90 3.16 9.36 0.61 -3.85 117.16 127.98 2dhj n TYR 39 Ca -0.19 0.53 -0.35 0.00 3.32 0.00 0.00 57.90 61.21 2dhj n TYR 39 Cb 0.57 -2.43 -0.10 0.00 -0.63 0.00 0.00 39.34 36.75 2dhj n TYR 39 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2dhj s VAL 40 N 5.80 4.80 -0.05 2.97 1.01 -0.49 0.60 120.40 135.05 2dhj s VAL 40 Ca 1.10 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 63.12 2dhj s VAL 40 Cb -1.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2dhj s VAL 40 CO 0.60 0.42 -0.24 -0.69 0.00 0.00 0.00 175.10 175.18 2dhj s VAL 41 N 0.73 1.97 -0.40 2.92 1.01 -0.20 -2.20 120.40 124.24 2dhj s VAL 41 Ca 0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2dhj s VAL 41 Cb -0.13 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.64 2dhj s VAL 41 CO 0.02 0.55 0.24 -0.22 0.00 0.00 0.00 175.10 175.69 2dhj s LEU 42 N -0.25 4.94 -0.31 3.92 2.96 0.48 -1.08 118.68 129.35 2dhj s LEU 42 Ca -0.00 -1.19 0.03 0.00 -0.22 0.00 0.00 54.13 52.75 2dhj s LEU 42 Cb -0.12 -2.03 0.08 0.00 0.50 0.00 0.00 46.19 44.62 2dhj s LEU 42 CO 0.02 -0.46 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.45 2dhj s ARG 43 N 1.52 1.75 5.13 1.98 0.52 -0.90 -1.13 118.95 127.82 2dhj s ARG 43 Ca 0.02 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2dhj s ARG 43 Cb -0.21 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2dhj s ARG 43 CO 0.05 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 174.99 2dhj n GLY 44 N 4.35 1.55 0.08 -3.53 0.00 -1.26 -2.48 105.19 103.90 2dhj n GLY 44 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2dhj n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dhj n HIS 45 N 0.00 0.00 -5.01 1.61 1.44 -1.26 -4.75 115.22 107.25 2dhj n HIS 45 Ca 0.00 -0.49 -0.27 0.00 -2.01 0.00 0.00 57.72 54.94 2dhj n HIS 45 Cb 0.00 -0.07 -0.16 0.00 0.12 0.00 0.00 29.99 29.88 2dhj n HIS 45 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2dhj s SER 46 N -1.36 2.44 -0.44 4.39 0.01 -1.04 0.42 113.70 118.12 2dhj s SER 46 Ca 0.09 -0.38 -0.14 0.00 1.31 0.00 0.00 55.95 56.83 2dhj s SER 46 Cb 0.08 -0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.01 2dhj s SER 46 CO 0.01 0.24 0.33 -0.76 0.41 0.00 0.00 173.24 173.47 2dhj s LEU 47 N -0.38 5.35 -0.38 2.44 1.43 -0.82 -2.12 118.68 124.20 2dhj s LEU 47 Ca 0.05 -1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 51.69 2dhj s LEU 47 Cb -0.09 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.02 2dhj s LEU 47 CO 0.00 -0.57 0.56 -0.31 0.23 0.00 0.00 176.35 176.26 2dhj s TYR 48 N 1.59 3.14 0.19 0.29 2.02 -0.24 -3.12 117.35 121.23 2dhj s TYR 48 Ca 0.04 0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.77 2dhj s TYR 48 Cb -0.23 -3.07 -0.06 0.00 -0.40 0.00 0.00 41.96 38.21 2dhj s TYR 48 CO 0.06 -0.66 0.45 -0.51 -1.57 0.00 0.00 175.55 173.32 2dhj s LEU 49 N 2.53 4.21 -0.11 -1.29 1.02 -1.26 -1.03 118.68 122.74 2dhj s LEU 49 Ca 0.20 0.67 -0.10 0.00 0.02 0.00 0.00 54.13 54.92 2dhj s LEU 49 Cb -0.15 -3.42 0.03 0.00 0.02 0.00 0.00 46.19 42.67 2dhj s LEU 49 CO 0.15 -0.03 0.30 -0.31 0.02 0.00 0.00 176.35 176.48 2dhj s TYR 50 N -1.78 -0.34 0.17 0.29 2.02 0.20 -4.76 117.35 113.15 2dhj s TYR 50 Ca 0.43 0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 2dhj s TYR 50 Cb -0.12 0.11 0.06 0.00 -0.40 0.00 0.00 41.96 41.62 2dhj s TYR 50 CO 0.25 -0.17 1.45 1.57 -1.57 0.00 0.00 175.55 177.08 2dhj h LYS 51 N 5.87 0.52 -6.59 -0.62 2.10 -1.90 1.80 116.57 117.75 2dhj h LYS 51 Ca -0.28 -0.38 -0.65 0.00 -2.00 0.00 0.00 60.65 57.34 2dhj h LYS 51 Cb 1.19 0.06 -0.18 0.00 -0.90 0.00 0.00 32.23 32.40 2dhj h LYS 51 CO 0.32 1.00 -0.82 -0.51 -2.00 0.00 0.00 179.45 177.45 2dhj s ASP 52 N -6.97 3.49 0.08 7.07 1.01 -1.26 -4.47 116.67 115.61 2dhj s ASP 52 Ca -0.07 -0.86 0.08 0.00 0.71 0.00 0.00 52.55 52.41 2dhj s ASP 52 Cb 0.11 -0.28 -0.22 0.00 1.01 0.00 0.00 42.92 43.54 2dhj s ASP 52 CO 0.85 0.12 1.12 0.50 0.21 0.00 0.00 175.17 177.96 2dhj h LYS 53 N 3.15 0.01 0.00 8.23 1.63 -1.97 -3.45 116.57 124.17 2dhj h LYS 53 Ca -0.46 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.17 2dhj h LYS 53 Cb 1.21 0.01 0.08 0.00 -0.60 0.00 0.00 32.23 32.93 2dhj h LYS 53 CO 0.49 0.89 -0.07 0.54 -3.45 0.00 0.00 179.45 177.85 2dhj n ARG 54 N -3.29 -1.26 -0.91 1.90 3.00 -1.26 -4.76 116.66 110.08 2dhj n ARG 54 Ca -0.05 -0.57 -0.30 0.00 -0.01 0.00 0.00 57.85 56.93 2dhj n ARG 54 Cb 0.97 -1.08 -0.00 0.00 0.00 0.00 0.00 32.46 32.35 2dhj n ARG 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dhj n GLU 55 N -1.54 0.00 -0.94 5.56 1.02 -1.26 -4.64 120.64 118.84 2dhj n GLU 55 Ca 0.05 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 2dhj n GLU 55 Cb 0.23 -0.70 -0.07 0.00 -0.02 0.00 0.00 31.44 30.89 2dhj n GLU 55 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2dhj n GLN 56 N 0.92 2.40 -3.10 3.49 3.00 -1.26 -4.48 117.38 118.35 2dhj n GLN 56 Ca 0.08 -1.44 -0.23 0.00 -0.01 0.00 0.00 57.00 55.40 2dhj n GLN 56 Cb 0.27 -2.35 -0.04 0.00 0.00 0.00 0.00 30.24 28.12 2dhj n GLN 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2dhj n THR 57 N 3.40 1.50 -4.26 5.09 -2.24 -1.26 -5.07 114.28 111.44 2dhj n THR 57 Ca 0.51 -5.06 -0.23 0.00 -2.27 0.00 0.00 64.05 57.01 2dhj n THR 57 Cb 0.39 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 2dhj n THR 57 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2dhj s THR 58 N -3.26 3.63 0.26 4.28 -4.23 -1.26 -5.04 115.64 110.02 2dhj s THR 58 Ca 0.44 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2dhj s THR 58 Cb 0.29 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2dhj s THR 58 CO -0.10 -0.34 1.64 1.55 -0.54 0.00 0.00 174.62 176.82 2dhj h PRO 59 N 1.91 0.35 0.00 3.99 0.13 -2.00 -2.81 132.00 133.57 2dhj h PRO 59 Ca -0.45 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2dhj h PRO 59 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2dhj h PRO 59 CO 0.60 0.73 0.00 0.66 -0.23 0.00 0.00 178.00 179.76 2dhj h SER 60 N 0.28 0.00 -1.40 1.44 4.64 -1.98 -3.16 113.55 113.38 2dhj h SER 60 Ca 0.02 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.78 2dhj h SER 60 Cb 0.90 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.88 2dhj h SER 60 CO 0.07 0.00 0.94 -0.33 -0.87 0.00 0.00 176.83 176.64 2dhj h GLU 61 N 0.00 0.09 -1.04 4.77 5.08 -1.79 0.25 114.58 121.92 2dhj h GLU 61 Ca 0.00 -0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.74 2dhj h GLU 61 Cb 0.49 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.56 2dhj h GLU 61 CO 0.00 0.06 0.59 0.93 -1.00 0.00 0.00 179.01 179.59 2dhj h GLU 62 N 0.09 0.12 -5.43 2.33 3.07 -1.78 -3.39 114.58 109.58 2dhj h GLU 62 Ca 0.80 -0.01 -0.59 0.00 -0.50 0.00 0.00 59.36 59.06 2dhj h GLU 62 Cb 2.67 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 30.49 2dhj h GLU 62 CO -0.29 0.08 1.59 0.39 -1.40 0.00 0.00 179.01 179.38 2dhj n GLU 63 N -5.11 0.20 -1.45 2.33 -0.58 0.87 -4.82 120.64 112.07 2dhj n GLU 63 Ca 0.36 0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.75 2dhj n GLU 63 Cb 1.20 -1.77 0.05 0.00 -0.57 0.00 0.00 31.44 30.36 2dhj n GLU 63 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dhj n GLN 64 N 8.23 0.56 -1.74 3.49 10.64 -1.26 -4.82 117.38 132.49 2dhj n GLN 64 Ca 0.58 0.23 -0.33 0.00 -1.83 0.00 0.00 57.00 55.65 2dhj n GLN 64 Cb 0.08 -1.92 0.05 0.00 -0.86 0.00 0.00 30.24 27.59 2dhj n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2dhj s PRO 65 N -2.57 2.78 -0.37 2.61 0.04 -1.26 -4.95 135.00 131.29 2dhj s PRO 65 Ca 0.71 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 2dhj s PRO 65 Cb -0.40 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.26 2dhj s PRO 65 CO 0.52 -1.26 0.16 0.42 0.04 0.00 0.00 177.00 176.88 2dhj s ILE 66 N -2.36 3.70 -0.24 0.56 1.01 -1.18 -4.88 121.20 117.82 2dhj s ILE 66 Ca 0.67 -1.44 -0.28 0.00 0.00 0.00 0.00 60.65 59.60 2dhj s ILE 66 Cb -0.20 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2dhj s ILE 66 CO 0.42 -0.37 2.07 -0.44 0.00 0.00 0.00 174.94 176.61 2dhj s SER 67 N 1.69 5.66 0.31 3.58 0.01 -1.26 -1.93 113.70 121.76 2dhj s SER 67 Ca 0.01 1.75 0.18 0.00 1.31 0.00 0.00 55.95 59.20 2dhj s SER 67 Cb -0.21 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.63 2dhj s SER 67 CO 0.01 -1.82 1.43 -0.37 0.41 0.00 0.00 173.24 172.90 2dhj h VAL 68 N 6.94 0.53 -0.45 3.43 -1.51 -0.40 -3.40 116.25 121.39 2dhj h VAL 68 Ca -0.39 -1.77 -0.72 0.00 -1.23 0.00 0.00 66.70 62.59 2dhj h VAL 68 Cb 1.22 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 32.59 2dhj h VAL 68 CO 0.98 0.30 0.86 -3.20 -1.23 0.00 0.00 177.57 175.29 2dhj n ASN 69 N -3.14 0.86 -1.65 4.19 4.05 -1.22 0.50 115.26 118.84 2dhj n ASN 69 Ca 0.02 0.82 -0.08 0.00 0.45 0.00 0.00 54.58 55.79 2dhj n ASN 69 Cb 0.67 -0.77 0.03 0.00 1.23 0.00 0.00 39.78 40.94 2dhj n ASN 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dhj n ALA 70 N 4.93 -0.52 -1.99 5.20 0.00 -1.23 -4.83 120.51 122.07 2dhj n ALA 70 Ca 0.37 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 2dhj n ALA 70 Cb -0.04 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 17.48 2dhj n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj s LEU 72 N -4.64 2.13 0.18 0.00 1.43 -0.93 -4.97 118.68 111.87 2dhj s LEU 72 Ca 0.57 -1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2dhj s LEU 72 Cb -0.10 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 2dhj s LEU 72 CO 0.37 -0.32 0.46 -0.63 0.23 0.00 0.00 176.35 176.46 2dhj s ILE 73 N 1.58 5.05 -0.28 -0.59 1.01 -1.26 -2.14 121.20 124.57 2dhj s ILE 73 Ca 0.01 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 2dhj s ILE 73 Cb -0.18 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.76 2dhj s ILE 73 CO -0.12 0.00 0.73 -1.81 0.00 0.00 0.00 174.94 173.75 2dhj s ASP 74 N -2.36 -0.88 -0.59 3.58 1.01 -0.42 -4.99 116.67 112.02 2dhj s ASP 74 Ca 0.43 1.41 -0.29 0.00 0.71 0.00 0.00 52.55 54.81 2dhj s ASP 74 Cb -0.12 1.36 -0.12 0.00 1.01 0.00 0.00 42.92 45.06 2dhj s ASP 74 CO 0.23 -0.22 2.44 -0.38 0.21 0.00 0.00 175.17 177.45 2dhj n ILE 75 N 4.16 0.01 -0.84 0.77 5.41 -1.26 -0.15 119.36 127.45 2dhj n ILE 75 Ca -0.20 -0.47 -0.29 0.00 1.00 0.00 0.00 62.75 62.79 2dhj n ILE 75 Cb 0.59 -1.95 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 2dhj n ILE 75 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2dhj n SER 76 N 13.13 -0.65 -3.85 4.38 7.64 -1.01 -4.56 113.62 128.70 2dhj n SER 76 Ca 0.45 0.68 -0.50 0.00 1.01 0.00 0.00 58.87 60.51 2dhj n SER 76 Cb 0.34 -0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 2dhj n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhj n TYR 77 N 0.11 0.44 -0.66 1.43 0.18 -1.26 -4.70 117.16 112.70 2dhj n TYR 77 Ca 0.11 0.90 -0.06 0.00 1.88 0.00 0.00 57.90 60.72 2dhj n TYR 77 Cb 0.14 -1.78 -0.09 0.00 -0.38 0.00 0.00 39.34 37.23 2dhj n TYR 77 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2dhj n SER 78 N 1.33 4.18 -0.00 9.48 2.88 -1.26 -3.45 113.62 126.78 2dhj n SER 78 Ca 0.17 -2.22 -0.00 0.00 -1.33 0.00 0.00 58.87 55.48 2dhj n SER 78 Cb 0.08 -1.05 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2dhj n SER 78 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dhj n GLU 79 N 2.27 0.01 -0.83 -1.46 1.02 -1.26 -5.07 120.64 115.32 2dhj n GLU 79 Ca 0.23 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 2dhj n GLU 79 Cb 0.62 -0.86 0.10 0.00 -0.02 0.00 0.00 31.44 31.29 2dhj n GLU 79 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2dhj n THR 80 N -2.67 0.00 -0.03 2.62 5.66 -1.22 -4.93 114.28 113.71 2dhj n THR 80 Ca -0.01 -0.19 -0.16 0.00 -3.05 0.00 0.00 64.05 60.64 2dhj n THR 80 Cb 0.51 -0.33 -0.13 0.00 -1.55 0.00 0.00 70.33 68.84 2dhj n THR 80 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2dhj h LYS 81 N -1.54 0.13 -7.06 1.09 2.10 -1.97 -3.45 116.57 105.86 2dhj h LYS 81 Ca -0.47 -0.18 -0.52 0.00 -2.00 0.00 0.00 60.65 57.48 2dhj h LYS 81 Cb 1.37 0.06 0.10 0.00 -0.90 0.00 0.00 32.23 32.85 2dhj h LYS 81 CO 0.30 1.01 0.50 -0.98 -2.00 0.00 0.00 179.45 178.28 2dhj s ARG 82 N -2.66 3.29 0.26 0.07 3.03 -1.26 -5.05 118.95 116.62 2dhj s ARG 82 Ca -0.17 1.88 0.02 0.00 2.03 0.00 0.00 55.73 59.50 2dhj s ARG 82 Cb -0.01 -2.16 0.02 0.00 -1.03 0.00 0.00 34.95 31.78 2dhj s ARG 82 CO 0.74 -0.97 0.18 1.63 -1.13 0.00 0.00 175.30 175.75 2dhj n LYS 83 N -1.10 1.14 -1.92 3.89 5.02 -1.26 -4.62 118.16 119.31 2dhj n LYS 83 Ca 0.11 -1.63 -0.04 0.00 -2.02 0.00 0.00 58.31 54.73 2dhj n LYS 83 Cb 0.48 0.20 -0.01 0.00 -0.02 0.00 0.00 35.03 35.68 2dhj n LYS 83 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dhj n ASN 84 N -1.86 -1.67 -4.66 4.39 3.02 -1.26 -4.65 115.26 108.57 2dhj n ASN 84 Ca -0.02 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 2dhj n ASN 84 Cb 0.29 -1.66 -0.09 0.00 -0.61 0.00 0.00 39.78 37.72 2dhj n ASN 84 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dhj s VAL 85 N -1.87 5.30 0.19 2.41 0.11 -1.26 -2.50 120.40 122.79 2dhj s VAL 85 Ca 0.00 0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.49 2dhj s VAL 85 Cb 0.00 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2dhj s VAL 85 CO 0.00 0.31 -0.01 0.72 -3.33 0.00 0.00 175.10 172.79 2dhj s PHE 86 N 1.19 2.80 0.15 1.54 -0.71 0.17 -2.42 117.98 120.71 2dhj s PHE 86 Ca 0.11 -0.16 0.06 0.00 -1.04 0.00 0.00 56.93 55.90 2dhj s PHE 86 Cb -0.14 -1.34 -0.04 0.00 -1.21 0.00 0.00 43.02 40.29 2dhj s PHE 86 CO 0.06 0.53 0.02 0.50 -1.34 0.00 0.00 175.22 174.99 2dhj s ARG 87 N -3.08 2.53 -0.05 1.99 3.52 0.79 -0.41 118.95 124.24 2dhj s ARG 87 Ca 0.28 -0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 54.84 2dhj s ARG 87 Cb -0.09 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 2dhj s ARG 87 CO 0.19 0.49 0.14 -1.17 -0.81 0.00 0.00 175.30 174.14 2dhj s LEU 88 N -2.77 1.46 -0.11 -0.88 0.20 -0.99 -1.31 118.68 114.28 2dhj s LEU 88 Ca 0.27 0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.34 2dhj s LEU 88 Cb -0.10 0.52 0.02 0.00 -0.43 0.00 0.00 46.19 46.19 2dhj s LEU 88 CO 0.19 -0.09 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.15 2dhj s THR 89 N -0.09 1.36 0.04 3.68 2.01 -0.91 -2.50 115.64 119.24 2dhj s THR 89 Ca -0.02 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.51 2dhj s THR 89 Cb -0.02 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2dhj s THR 89 CO 0.00 0.42 -0.16 0.42 -0.69 0.00 0.00 174.62 174.61 2dhj s THR 90 N 1.19 2.92 0.63 -0.82 -4.23 -0.78 -2.20 115.64 112.36 2dhj s THR 90 Ca -0.03 -1.16 0.20 0.00 -1.18 0.00 0.00 61.69 59.52 2dhj s THR 90 Cb -0.14 -2.25 0.25 0.00 1.34 0.00 0.00 72.50 71.70 2dhj s THR 90 CO -0.04 0.32 1.46 0.28 -0.54 0.00 0.00 174.62 176.10 2dhj h SER 91 N 4.45 0.00 0.00 3.99 0.02 -1.85 -1.91 113.55 118.25 2dhj h SER 91 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2dhj h SER 91 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2dhj h SER 91 CO 0.48 0.00 -0.00 -0.78 -1.14 0.00 0.00 176.83 175.39 2dhj h ASP 92 N 0.00 0.00 -5.48 3.07 3.58 -1.94 -3.50 116.42 112.15 2dhj h ASP 92 Ca 0.18 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.40 2dhj h ASP 92 Cb 1.80 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.76 2dhj h ASP 92 CO -0.00 0.03 -0.24 0.00 -2.88 0.00 0.00 179.24 176.15 2dhj s GLU 94 N -3.41 2.94 0.17 0.00 8.01 -1.26 -1.87 118.70 123.29 2dhj s GLU 94 Ca 0.30 -0.87 -0.23 0.00 0.01 0.00 0.00 54.97 54.18 2dhj s GLU 94 Cb 0.01 -2.66 0.07 0.00 -4.31 0.00 0.00 34.13 27.24 2dhj s GLU 94 CO 0.17 0.48 1.03 0.00 0.01 0.00 0.00 175.26 176.94 2dhj s LEU 96 N -3.26 2.60 -0.17 0.00 1.43 0.16 -2.34 118.68 117.12 2dhj s LEU 96 Ca 0.19 -1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 2dhj s LEU 96 Cb -0.02 -0.73 0.06 0.00 0.03 0.00 0.00 46.19 45.54 2dhj s LEU 96 CO 0.04 -0.44 0.39 -0.36 0.23 0.00 0.00 176.35 176.21 2dhj s PHE 97 N -2.91 -0.61 0.00 0.29 0.08 0.46 -2.48 117.98 112.81 2dhj s PHE 97 Ca 0.34 1.28 0.05 0.00 0.12 0.00 0.00 56.93 58.72 2dhj s PHE 97 Cb 0.08 0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.74 2dhj s PHE 97 CO 0.16 -0.36 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.64 2dhj s GLN 98 N 1.63 2.33 0.41 0.44 0.74 -1.15 0.45 119.66 124.51 2dhj s GLN 98 Ca -0.08 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 54.58 2dhj s GLN 98 Cb -0.09 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 2dhj s GLN 98 CO -0.12 0.58 0.30 0.00 -0.55 0.00 0.00 175.29 175.50 2dhj s ALA 99 N -0.87 3.88 -0.05 1.58 0.00 -1.04 -3.32 121.76 121.94 2dhj s ALA 99 Ca 0.14 -1.96 -0.23 0.00 0.00 0.00 0.00 51.96 49.91 2dhj s ALA 99 Cb -0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 23.12 21.97 2dhj s ALA 99 CO 0.04 -0.19 1.00 1.05 0.00 0.00 0.00 175.76 177.65 2dhj h GLU 100 N 1.18 0.23 -5.10 0.00 4.11 -1.89 -3.46 114.58 109.65 2dhj h GLU 100 Ca -0.42 -0.27 -0.34 0.00 0.07 0.00 0.00 59.36 58.40 2dhj h GLU 100 Cb 1.26 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.44 2dhj h GLU 100 CO 0.62 1.02 -0.72 0.34 0.07 0.00 0.00 179.01 180.34 2dhj s ASP 101 N -6.50 1.79 0.13 3.06 -1.08 -1.26 -5.04 116.67 107.77 2dhj s ASP 101 Ca -0.15 -0.97 -0.29 0.00 -0.52 0.00 0.00 52.55 50.61 2dhj s ASP 101 Cb 0.01 -0.02 -0.06 0.00 -1.46 0.00 0.00 42.92 41.40 2dhj s ASP 101 CO 0.77 -0.30 1.58 -0.09 0.52 0.00 0.00 175.17 177.64 2dhj h ARG 102 N 2.93 -0.46 -0.44 4.34 2.43 -1.92 -0.47 114.38 120.79 2dhj h ARG 102 Ca -0.37 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 2dhj h ARG 102 Cb 1.19 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 2dhj h ARG 102 CO 0.61 -0.31 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.31 2dhj h ASP 103 N -0.48 -0.23 -0.69 -3.80 3.32 -1.99 0.65 116.42 113.20 2dhj h ASP 103 Ca 0.08 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.37 2dhj h ASP 103 Cb 0.63 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 2dhj h ASP 103 CO -0.44 -0.07 0.46 0.44 -1.72 0.00 0.00 179.24 177.91 2dhj h ASP 104 N 0.09 0.36 0.20 6.45 5.19 -1.73 -2.00 116.42 124.97 2dhj h ASP 104 Ca 0.22 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 2dhj h ASP 104 Cb 0.32 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2dhj h ASP 104 CO -0.38 0.19 -0.10 -0.03 -3.12 0.00 0.00 179.24 175.81 2dhj h MET 105 N 0.39 -0.26 -1.04 3.56 4.05 0.68 -3.12 114.93 119.18 2dhj h MET 105 Ca 0.33 0.02 0.27 0.00 -0.28 0.00 0.00 59.70 60.04 2dhj h MET 105 Cb 0.76 0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.52 2dhj h MET 105 CO -0.10 0.14 0.65 -0.07 0.23 0.00 0.00 176.91 177.77 2dhj h LEU 106 N -0.86 0.51 0.06 3.39 -0.00 -0.74 0.19 115.31 117.86 2dhj h LEU 106 Ca -0.03 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2dhj h LEU 106 Cb 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2dhj h LEU 106 CO 0.04 0.07 -0.03 0.00 -0.00 0.00 0.00 178.44 178.53 2dhj h ALA 107 N 1.66 -0.09 0.13 1.53 0.00 -1.39 -2.36 119.26 118.74 2dhj h ALA 107 Ca 0.63 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.51 2dhj h ALA 107 Cb 1.47 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2dhj h ALA 107 CO -0.37 -0.53 -0.25 -1.49 0.00 0.00 0.00 179.25 176.62 2dhj h TRP 108 N -0.12 -0.66 -0.22 0.00 4.06 -0.91 -0.05 115.95 118.04 2dhj h TRP 108 Ca -0.01 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.99 2dhj h TRP 108 Cb 0.10 0.27 -0.07 0.00 -1.00 0.00 0.00 29.16 28.47 2dhj h TRP 108 CO -0.06 -0.35 -0.52 0.82 -3.56 0.00 0.00 178.44 174.77 2dhj h ILE 109 N -0.46 0.00 0.28 1.49 2.04 -1.34 0.15 117.51 119.67 2dhj h ILE 109 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2dhj h ILE 109 Cb 0.48 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2dhj h ILE 109 CO -0.13 0.00 -0.37 0.50 0.00 0.00 0.00 178.15 178.14 2dhj h LYS 110 N -0.49 -0.65 -0.56 2.37 3.64 -1.29 0.33 116.57 119.91 2dhj h LYS 110 Ca 0.04 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2dhj h LYS 110 Cb 0.62 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 2dhj h LYS 110 CO -0.47 -0.44 -0.44 1.15 -2.27 0.00 0.00 179.45 176.98 2dhj h THR 111 N -0.68 0.00 0.42 1.00 2.02 -0.76 0.38 112.91 115.29 2dhj h THR 111 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2dhj h THR 111 Cb 0.61 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2dhj h THR 111 CO -0.09 0.00 -0.43 0.40 0.37 0.00 0.00 175.52 175.76 2dhj h ILE 112 N -0.14 0.00 -1.12 3.11 2.04 -0.62 -0.54 117.51 120.24 2dhj h ILE 112 Ca 0.09 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.31 2dhj h ILE 112 Cb 0.38 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.33 2dhj h ILE 112 CO -0.60 0.00 0.68 1.56 0.00 0.00 0.00 178.15 179.79 2dhj h GLN 113 N -0.85 0.23 0.01 2.37 4.20 0.16 0.23 115.11 121.46 2dhj h GLN 113 Ca -0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2dhj h GLN 113 Cb 0.74 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2dhj h GLN 113 CO -0.06 0.15 -0.01 0.93 -0.67 0.00 0.00 178.83 179.17 2dhj h GLU 114 N 0.24 -0.02 -0.49 1.46 4.39 0.52 -1.95 114.58 118.73 2dhj h GLU 114 Ca 0.75 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.52 2dhj h GLU 114 Cb 1.98 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.57 2dhj h GLU 114 CO -0.50 0.40 0.13 0.77 -1.16 0.00 0.00 179.01 178.65 2dhj h SER 115 N -0.44 0.06 -0.49 1.42 0.02 0.96 -2.03 113.55 113.06 2dhj h SER 115 Ca -0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2dhj h SER 115 Cb 0.43 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2dhj h SER 115 CO 0.00 0.06 0.25 0.77 -1.14 0.00 0.00 176.83 176.78 2dhj h SER 116 N 0.27 0.63 -3.28 3.07 4.64 -1.18 -3.44 113.55 114.26 2dhj h SER 116 Ca 0.24 -0.11 -0.44 0.00 -0.47 0.00 0.00 61.79 61.01 2dhj h SER 116 Cb 0.30 -0.16 0.21 0.00 -0.31 0.00 0.00 62.40 62.44 2dhj h SER 116 CO -0.29 0.56 0.02 0.21 -0.87 0.00 0.00 176.83 176.45 2dhj s ASN 117 N -5.84 0.98 0.57 4.97 2.47 -0.73 -3.53 114.94 113.83 2dhj s ASN 117 Ca -0.13 1.48 -0.08 0.00 0.42 0.00 0.00 52.86 54.55 2dhj s ASN 117 Cb 0.11 -2.27 -0.02 0.00 -1.45 0.00 0.00 41.25 37.63 2dhj s ASN 117 CO 0.76 -4.20 0.92 -1.48 -3.72 0.00 0.00 177.10 169.38 2dhj s LEU 118 N -7.20 3.33 -0.17 3.21 2.34 -1.26 -4.96 118.68 113.97 2dhj s LEU 118 Ca 0.68 1.03 -0.02 0.00 0.06 0.00 0.00 54.13 55.88 2dhj s LEU 118 Cb -0.25 -3.96 0.05 0.00 -0.56 0.00 0.00 46.19 41.47 2dhj s LEU 118 CO 0.64 -0.87 0.02 0.54 -1.06 0.00 0.00 176.35 175.62 2dhj s ASN 119 N -4.21 2.63 0.18 1.48 2.20 -1.26 -5.05 114.94 110.91 2dhj s ASN 119 Ca 0.52 -0.65 -0.19 0.00 -0.94 0.00 0.00 52.86 51.60 2dhj s ASN 119 Cb -0.11 -0.60 0.04 0.00 -2.00 0.00 0.00 41.25 38.58 2dhj s ASN 119 CO 0.48 -0.27 0.54 -0.55 -2.94 0.00 0.00 177.10 174.37 2dhj s SER 120 N 1.85 -0.34 -0.14 3.54 0.15 -1.26 -5.18 113.70 112.33 2dhj s SER 120 Ca 0.00 -0.34 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 2dhj s SER 120 Cb -0.16 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 64.80 2dhj s SER 120 CO -0.07 -1.03 0.69 -0.83 1.20 0.00 0.00 173.24 173.19 2dhj s GLY 121 N -2.84 -0.56 -0.13 9.45 0.00 -1.26 -5.13 107.32 106.86 2dhj s GLY 121 Ca 0.06 1.58 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 2dhj s GLY 121 CO -0.06 1.26 1.54 2.56 0.00 0.00 0.00 173.10 178.41 2dhj s PRO 122 N -0.56 4.09 -0.11 2.90 0.04 -1.26 -5.01 135.00 135.08 2dhj s PRO 122 Ca -0.07 1.91 0.03 0.00 0.04 0.00 0.00 61.00 62.91 2dhj s PRO 122 Cb -0.02 -3.94 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 2dhj s PRO 122 CO 0.06 -0.93 -0.22 0.45 0.04 0.00 0.00 177.00 176.40 2dhj s SER 123 N 3.24 3.24 0.00 6.66 0.15 -1.26 -5.12 113.70 120.62 2dhj s SER 123 Ca 0.68 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2dhj s SER 123 Cb -0.28 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2dhj s SER 123 CO 0.26 0.14 -0.04 -0.55 1.20 0.00 0.00 173.24 174.24 2dhj s SER 124 N 0.46 0.52 0.00 5.45 0.15 -1.26 -5.36 113.70 113.66 2dhj s SER 124 Ca -0.15 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.63 2dhj s SER 124 Cb -0.17 -0.04 1.50 0.00 -1.71 0.00 0.00 66.02 65.60 2dhj s SER 124 CO 0.06 0.02 1.86 0.61 1.20 0.00 0.00 173.24 176.99