#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dux s VAL 17 N 0.00 5.25 -1.72 1.39 1.01 0.40 -4.25 120.40 122.48 3dux s VAL 17 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3dux s VAL 17 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3dux s VAL 17 CO 0.00 0.46 0.00 -0.62 0.00 0.00 0.00 175.10 174.94 3dux n GLU 18 N 2.93 -1.60 0.00 2.72 -0.58 -1.26 -2.46 120.64 120.39 3dux n GLU 18 Ca -0.13 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 3dux n GLU 18 Cb 0.52 -5.59 0.00 0.00 -0.57 0.00 0.00 31.44 25.81 3dux n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dux n GLY 19 N -1.02 1.18 3.24 0.62 0.00 -1.26 -4.73 105.19 103.23 3dux n GLY 19 Ca -0.24 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3dux n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dux s SER 20 N -1.00 0.17 0.28 1.61 1.04 -0.01 -4.91 113.70 110.88 3dux s SER 20 Ca 0.00 -1.02 -0.30 0.00 0.48 0.00 0.00 55.95 55.11 3dux s SER 20 Cb 0.00 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.38 3dux s SER 20 CO 0.00 -0.81 1.43 -1.81 0.98 0.00 0.00 173.24 173.03 3dux s ASP 21 N -3.00 6.63 0.69 7.02 1.01 -1.26 -0.79 116.67 126.96 3dux s ASP 21 Ca 0.20 2.72 -0.15 0.00 0.71 0.00 0.00 52.55 56.03 3dux s ASP 21 Cb 0.05 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3dux s ASP 21 CO 0.00 -0.70 1.14 0.00 0.21 0.00 0.00 175.17 175.82 3dux s ALA 22 N -0.29 2.32 0.53 5.23 0.00 0.11 -4.79 121.76 124.88 3dux s ALA 22 Ca 0.57 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3dux s ALA 22 Cb -0.42 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 3dux s ALA 22 CO 0.47 -1.52 1.00 -1.21 0.00 0.00 0.00 175.76 174.50 3dux s GLU 23 N -4.09 3.82 0.26 0.00 2.02 -1.26 -4.97 118.70 114.48 3dux s GLU 23 Ca 0.69 1.02 -0.31 0.00 0.02 0.00 0.00 54.97 56.39 3dux s GLU 23 Cb -0.23 -2.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.77 3dux s GLU 23 CO 0.44 -0.38 1.59 -0.89 0.02 0.00 0.00 175.26 176.03 3dux n ILE 24 N -1.63 0.77 -0.90 -1.63 2.08 -1.26 -2.08 119.36 114.71 3dux n ILE 24 Ca 0.07 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3dux n ILE 24 Cb 0.54 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 3dux n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dux n GLY 25 N 2.56 0.42 0.22 7.39 0.00 -1.26 -4.88 105.19 109.64 3dux n GLY 25 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3dux n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dux h MET 26 N 1.10 0.00 -1.83 1.61 -1.53 -1.79 -3.35 114.93 109.13 3dux h MET 26 Ca 0.00 0.00 -0.50 0.00 -3.44 0.00 0.00 59.70 55.76 3dux h MET 26 Cb 0.23 0.00 -0.37 0.00 -0.55 0.00 0.00 31.60 30.91 3dux h MET 26 CO 0.00 0.24 -1.09 0.45 0.14 0.00 0.00 176.91 176.65 3dux n SER 27 N -3.69 0.20 0.00 1.39 2.88 -1.26 -4.97 113.62 108.16 3dux n SER 27 Ca -0.01 -2.88 0.12 0.00 -1.33 0.00 0.00 58.87 54.76 3dux n SER 27 Cb 0.36 -0.42 0.67 0.00 -0.75 0.00 0.00 64.21 64.07 3dux n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dux n PRO 28 N 0.93 0.60 0.00 -1.46 -0.04 -1.26 -1.09 135.00 132.69 3dux n PRO 28 Ca 0.21 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3dux n PRO 28 Cb 0.59 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.77 3dux n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3dux n TRP 29 N -1.11 0.00 -1.88 0.54 2.14 -1.06 -1.55 117.44 114.52 3dux n TRP 29 Ca 0.16 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.31 3dux n TRP 29 Cb 0.12 -0.14 -0.02 0.00 -0.81 0.00 0.00 31.31 30.46 3dux n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3dux s GLN 30 N -2.75 4.19 0.05 -2.67 2.00 -0.25 -0.18 119.66 120.06 3dux s GLN 30 Ca 0.16 2.44 0.08 0.00 -2.00 0.00 0.00 55.36 56.04 3dux s GLN 30 Cb 0.18 -3.10 -0.03 0.00 0.80 0.00 0.00 33.01 30.86 3dux s GLN 30 CO 0.64 -0.60 -0.21 0.08 -0.50 0.00 0.00 175.29 174.71 3dux s VAL 31 N 0.61 1.71 -0.19 1.34 1.01 -0.33 -3.95 120.40 120.60 3dux s VAL 31 Ca 0.67 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3dux s VAL 31 Cb -0.45 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3dux s VAL 31 CO 0.38 0.18 -0.02 -0.32 0.00 0.00 0.00 175.10 175.33 3dux s MET 32 N -1.27 3.57 -0.22 2.72 1.75 -0.38 -1.77 119.30 123.70 3dux s MET 32 Ca 0.08 -0.55 -0.28 0.00 -1.25 0.00 0.00 55.69 53.69 3dux s MET 32 Cb -0.09 -3.02 0.00 0.00 2.84 0.00 0.00 34.83 34.56 3dux s MET 32 CO 0.02 0.02 0.97 -1.17 -0.65 0.00 0.00 175.02 174.21 3dux s LEU 33 N 0.96 4.11 -0.12 4.11 0.20 0.25 -0.84 118.68 127.35 3dux s LEU 33 Ca 0.01 1.29 0.02 0.00 0.69 0.00 0.00 54.13 56.14 3dux s LEU 33 Cb -0.14 -3.43 0.02 0.00 -0.43 0.00 0.00 46.19 42.20 3dux s LEU 33 CO 0.01 -0.60 -0.17 0.12 -0.29 0.00 0.00 176.35 175.43 3dux s PHE 34 N 2.95 2.19 0.27 5.38 2.19 0.96 -0.25 117.98 131.66 3dux s PHE 34 Ca 0.42 -1.10 -0.29 0.00 0.33 0.00 0.00 56.93 56.29 3dux s PHE 34 Cb -0.15 -1.56 -0.09 0.00 -1.31 0.00 0.00 43.02 39.91 3dux s PHE 34 CO 0.08 -0.55 1.05 0.50 1.83 0.00 0.00 175.22 178.12 3dux s ARG 35 N 1.05 4.69 0.10 10.12 3.52 0.69 0.38 118.95 139.51 3dux s ARG 35 Ca -0.04 1.70 -0.03 0.00 -0.13 0.00 0.00 55.73 57.23 3dux s ARG 35 Cb -0.15 -3.19 -0.20 0.00 -1.56 0.00 0.00 34.95 29.86 3dux s ARG 35 CO -0.04 0.29 1.22 0.87 -0.81 0.00 0.00 175.30 176.84 3dux h LYS 36 N 3.87 0.27 -1.95 5.12 1.57 -1.67 -3.16 116.57 120.61 3dux h LYS 36 Ca -0.46 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 57.92 3dux h LYS 36 Cb 1.21 0.13 -0.24 0.00 0.08 0.00 0.00 32.23 33.41 3dux h LYS 36 CO 0.67 1.14 -0.28 0.45 -0.57 0.00 0.00 179.45 180.86 3dux s SER 36 N -7.07 -0.74 0.51 0.86 0.15 -1.26 -3.96 113.70 102.19 3dux s SER 36 Ca -0.04 1.09 -0.18 0.00 0.70 0.00 0.00 55.95 57.52 3dux s SER 36 Cb 0.08 1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 66.15 3dux s SER 36 CO 0.87 -0.24 1.01 -2.16 1.20 0.00 0.00 173.24 173.91 3dux s PRO 37 N 2.76 3.82 -0.12 5.44 0.04 -1.26 -5.07 135.00 140.61 3dux s PRO 37 Ca 0.03 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 3dux s PRO 37 Cb -0.13 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3dux s PRO 37 CO -0.17 -0.39 1.53 -0.65 0.04 0.00 0.00 177.00 177.36 3dux s GLN 38 N -3.74 4.12 -0.11 4.56 -0.21 -1.25 -4.66 119.66 118.37 3dux s GLN 38 Ca 0.62 1.93 -0.32 0.00 0.02 0.00 0.00 55.36 57.61 3dux s GLN 38 Cb -0.12 -3.93 0.12 0.00 1.00 0.00 0.00 33.01 30.08 3dux s GLN 38 CO 0.27 -0.89 1.06 -1.83 -2.12 0.00 0.00 175.29 171.78 3dux s GLU 39 N 4.00 0.54 0.02 2.91 -1.05 -1.19 -4.97 118.70 118.96 3dux s GLU 39 Ca 0.67 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 55.00 3dux s GLU 39 Cb -0.28 0.25 -0.07 0.00 -0.44 0.00 0.00 34.13 33.59 3dux s GLU 39 CO 0.25 -0.24 1.57 -1.17 0.95 0.00 0.00 175.26 176.62 3dux s LEU 40 N -2.30 4.34 -0.26 1.83 2.96 -1.26 -0.22 118.68 123.77 3dux s LEU 40 Ca 0.07 2.31 -0.06 0.00 -0.22 0.00 0.00 54.13 56.23 3dux s LEU 40 Cb -0.01 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.97 3dux s LEU 40 CO -0.07 -0.84 -0.23 -0.11 -1.32 0.00 0.00 176.35 173.79 3dux n LEU 41 N 5.78 2.48 -3.70 -0.68 0.00 0.65 -4.87 117.00 116.67 3dux n LEU 41 Ca 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 56.01 56.24 3dux n LEU 41 Cb 0.42 -0.89 -0.01 0.00 0.00 0.00 0.00 43.42 42.94 3dux n LEU 41 CO 0.61 0.75 0.81 0.00 0.00 0.00 0.00 177.39 179.57 3dux s GLY 43 N -2.89 1.76 0.13 0.00 0.00 0.10 -0.58 107.32 105.84 3dux s GLY 43 Ca 0.12 -1.21 -0.24 0.00 0.00 0.00 0.00 44.72 43.39 3dux s GLY 43 CO -0.00 -0.93 1.09 0.00 0.00 0.00 0.00 173.10 173.26 3dux s ALA 44 N -2.80 -1.81 0.01 3.20 0.00 -0.73 -3.68 121.76 115.95 3dux s ALA 44 Ca 0.56 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 3dux s ALA 44 Cb -0.10 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 3dux s ALA 44 CO 0.39 -1.08 0.09 -1.54 0.00 0.00 0.00 175.76 173.63 3dux s SER 45 N -3.40 0.11 -0.18 0.00 1.04 0.13 -1.18 113.70 110.23 3dux s SER 45 Ca 0.22 -0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.09 3dux s SER 45 Cb -0.02 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3dux s SER 45 CO 0.03 -0.38 0.65 -0.22 0.98 0.00 0.00 173.24 174.29 3dux s LEU 46 N -1.56 4.17 0.00 2.42 2.96 0.75 -0.71 118.68 126.71 3dux s LEU 46 Ca -0.13 0.89 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 3dux s LEU 46 Cb -0.07 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.70 3dux s LEU 46 CO -0.00 -0.26 0.46 2.30 -1.32 0.00 0.00 176.35 177.53 3dux n ILE 47 N 4.56 0.00 -3.72 6.68 -5.35 -0.63 -1.69 119.36 119.21 3dux n ILE 47 Ca -0.01 -0.45 -0.02 0.00 -0.27 0.00 0.00 62.75 62.00 3dux n ILE 47 Cb 0.50 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.47 3dux n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3dux n SER 48 N -0.33 -1.13 0.02 7.28 3.41 -1.21 -4.74 113.62 116.93 3dux n SER 48 Ca 0.02 -1.60 0.10 0.00 -0.26 0.00 0.00 58.87 57.13 3dux n SER 48 Cb 0.11 1.84 0.42 0.00 -0.26 0.00 0.00 64.21 66.31 3dux n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dux n ASP 49 N -1.05 0.13 0.00 4.04 3.85 -1.26 -3.49 116.55 118.78 3dux n ASP 49 Ca -0.02 0.53 0.00 0.00 -0.71 0.00 0.00 54.79 54.59 3dux n ASP 49 Cb 0.37 -0.56 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 3dux n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dux n ARG 50 N -1.64 1.68 -4.71 0.11 1.74 -1.26 -1.15 116.66 111.43 3dux n ARG 50 Ca 0.04 -1.06 -0.23 0.00 -0.77 0.00 0.00 57.85 55.83 3dux n ARG 50 Cb 0.24 -0.80 -0.15 0.00 -1.02 0.00 0.00 32.46 30.72 3dux n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3dux s TRP 51 N -0.57 1.38 -0.01 -1.55 0.52 -1.23 -1.59 118.94 115.89 3dux s TRP 51 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.91 3dux s TRP 51 Cb 0.00 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3dux s TRP 51 CO 0.00 -0.04 -0.19 0.08 0.02 0.00 0.00 176.95 176.82 3dux s VAL 52 N -0.31 1.52 -0.10 4.03 1.01 -0.15 -1.61 120.40 124.79 3dux s VAL 52 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3dux s VAL 52 Cb -0.06 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3dux s VAL 52 CO -0.00 0.40 -0.03 -0.22 0.00 0.00 0.00 175.10 175.25 3dux s LEU 53 N -0.52 3.38 0.00 3.92 2.96 0.11 -0.10 118.68 128.42 3dux s LEU 53 Ca 0.07 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3dux s LEU 53 Cb -0.08 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3dux s LEU 53 CO -0.00 0.33 0.14 1.07 -1.32 0.00 0.00 176.35 176.56 3dux n THR 54 N 2.49 0.00 -3.27 3.68 5.66 -0.39 -0.69 114.28 121.76 3dux n THR 54 Ca -0.18 -0.38 -0.39 0.00 -3.05 0.00 0.00 64.05 60.05 3dux n THR 54 Cb 0.53 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.51 3dux n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dux s ALA 55 N -1.70 3.55 0.43 1.79 0.00 -1.26 -1.00 121.76 123.56 3dux s ALA 55 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 51.96 52.13 3dux s ALA 55 Cb -0.00 -2.66 0.97 0.00 0.00 0.00 0.00 23.12 21.42 3dux s ALA 55 CO 0.04 0.30 2.02 0.00 0.00 0.00 0.00 175.76 178.12 3dux h ALA 56 N 5.08 1.88 0.00 0.00 0.00 -1.69 -1.77 119.26 122.77 3dux h ALA 56 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dux h ALA 56 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dux h ALA 56 CO 0.66 0.04 0.00 1.12 0.00 0.00 0.00 179.25 181.07 3dux h HIS 57 N 0.46 0.00 0.00 0.00 2.07 -1.89 0.11 115.15 115.89 3dux h HIS 57 Ca 0.21 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 3dux h HIS 57 Cb 0.26 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.24 3dux h HIS 57 CO -0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 177.93 174.75 3dux n LEU 59 N -3.61 2.36 -3.76 0.00 4.77 -0.04 -4.87 117.00 111.86 3dux n LEU 59 Ca -0.02 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 3dux n LEU 59 Cb 0.24 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 3dux n LEU 59 CO 0.30 0.61 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.37 3dux s LEU 60 N -5.52 0.98 0.17 2.23 2.96 0.17 -0.46 118.68 119.22 3dux s LEU 60 Ca -0.14 -0.54 -0.16 0.00 -0.22 0.00 0.00 54.13 53.06 3dux s LEU 60 Cb 0.04 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.20 3dux s LEU 60 CO 0.31 -0.26 0.47 -0.47 -1.32 0.00 0.00 176.35 175.08 3dux s TYR 60 N 1.89 -0.08 0.00 5.38 5.04 0.22 -4.19 117.35 125.60 3dux s TYR 60 Ca 0.01 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 3dux s TYR 60 Cb -0.15 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.47 3dux s TYR 60 CO -0.07 -0.84 0.00 -2.30 -1.34 0.00 0.00 175.55 171.00 3dux n PRO 60 N -0.30 0.00 -0.37 4.97 -0.02 -1.26 -1.92 135.00 136.10 3dux n PRO 60 Ca -0.11 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.44 3dux n PRO 60 Cb 0.63 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 34.34 3dux n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3dux n TRP 60 N 0.00 0.84 -3.62 6.00 7.02 -1.26 -4.96 117.44 121.46 3dux n TRP 60 Ca 0.00 -0.70 -0.24 0.00 -1.02 0.00 0.00 57.50 55.54 3dux n TRP 60 Cb 0.00 -0.20 0.07 0.00 -2.42 0.00 0.00 31.31 28.76 3dux n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3dux n ASP 60 N 0.09 -5.79 -4.44 -0.99 8.00 -1.10 -4.97 116.55 107.34 3dux n ASP 60 Ca 0.18 -0.58 -0.35 0.00 0.71 0.00 0.00 54.79 54.75 3dux n ASP 60 Cb 0.72 -4.90 -0.13 0.00 -0.02 0.00 0.00 41.12 36.79 3dux n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dux s LYS 60 N -6.27 3.61 -0.43 -1.24 2.20 -0.81 -4.98 119.74 111.82 3dux s LYS 60 Ca 0.54 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.70 3dux s LYS 60 Cb -0.24 -3.14 0.18 0.00 -1.51 0.00 0.00 37.83 33.12 3dux s LYS 60 CO 0.74 -0.05 0.58 1.21 -0.36 0.00 0.00 175.35 177.47 3dux s ASN 60 N 1.18 -0.71 0.29 1.43 3.04 -1.22 0.69 114.94 119.63 3dux s ASN 60 Ca 0.03 -1.35 -0.09 0.00 0.04 0.00 0.00 52.86 51.49 3dux s ASN 60 Cb -0.14 1.48 -0.07 0.00 -1.54 0.00 0.00 41.25 40.98 3dux s ASN 60 CO 0.02 -0.16 0.62 -0.36 -3.04 0.00 0.00 177.10 174.17 3dux s PHE 60 N 1.39 3.44 0.44 0.43 0.08 0.39 -5.02 117.98 119.13 3dux s PHE 60 Ca 0.21 0.88 0.06 0.00 0.12 0.00 0.00 56.93 58.20 3dux s PHE 60 Cb -0.05 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 3dux s PHE 60 CO -0.06 0.15 0.14 -0.08 -0.10 0.00 0.00 175.22 175.27 3dux s THR 60 N -2.02 2.03 0.25 0.64 -1.32 -1.26 -4.94 115.64 109.03 3dux s THR 60 Ca 0.48 -1.78 -0.03 0.00 -1.21 0.00 0.00 61.69 59.15 3dux s THR 60 Cb -0.11 -2.81 0.24 0.00 -1.51 0.00 0.00 72.50 68.32 3dux s THR 60 CO 0.25 0.00 1.69 -0.33 -2.21 0.00 0.00 174.62 174.02 3dux h GLU 61 N 1.42 0.31 0.00 7.08 3.07 -1.94 -1.34 114.58 123.18 3dux h GLU 61 Ca -0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3dux h GLU 61 Cb 1.26 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3dux h GLU 61 CO 0.72 0.20 0.00 0.09 -1.40 0.00 0.00 179.01 178.62 3dux n ASN 62 N -5.12 0.43 0.03 1.42 3.02 -1.26 -2.07 115.26 111.71 3dux n ASN 62 Ca 0.16 0.58 0.13 0.00 -0.03 0.00 0.00 54.58 55.42 3dux n ASN 62 Cb 0.49 -0.68 0.53 0.00 -0.61 0.00 0.00 39.78 39.51 3dux n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dux n ASP 63 N -1.95 0.23 -4.19 6.41 8.00 -0.50 -4.89 116.55 119.66 3dux n ASP 63 Ca 0.04 0.53 -0.11 0.00 0.71 0.00 0.00 54.79 55.95 3dux n ASP 63 Cb 0.27 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 3dux n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dux s LEU 64 N -3.44 2.28 0.21 0.64 1.43 -0.88 -1.78 118.68 117.14 3dux s LEU 64 Ca 0.12 -1.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.21 3dux s LEU 64 Cb 0.16 0.00 -0.05 0.00 0.03 0.00 0.00 46.19 46.34 3dux s LEU 64 CO 0.51 -0.55 -0.15 -0.76 0.23 0.00 0.00 176.35 175.63 3dux s LEU 65 N -3.08 2.56 -0.20 1.79 1.43 0.16 -4.50 118.68 116.84 3dux s LEU 65 Ca 0.17 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 3dux s LEU 65 Cb 0.06 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3dux s LEU 65 CO -0.01 -0.14 0.02 -0.69 0.23 0.00 0.00 176.35 175.76 3dux s VAL 66 N -2.90 4.15 -0.19 -1.59 1.01 -0.17 -0.03 120.40 120.68 3dux s VAL 66 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3dux s VAL 66 Cb -0.01 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3dux s VAL 66 CO 0.08 0.42 -0.10 -0.13 0.00 0.00 0.00 175.10 175.38 3dux s ARG 67 N 0.94 3.30 0.07 2.72 0.52 -0.02 -0.10 118.95 126.37 3dux s ARG 67 Ca 0.02 -0.68 0.10 0.00 -0.52 0.00 0.00 55.73 54.65 3dux s ARG 67 Cb -0.14 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 3dux s ARG 67 CO 0.02 -0.10 -0.26 0.42 0.02 0.00 0.00 175.30 175.40 3dux s ILE 68 N 1.16 2.15 0.00 1.52 1.01 0.43 -1.25 121.20 126.22 3dux s ILE 68 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.19 3dux s ILE 68 Cb -0.14 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3dux s ILE 68 CO -0.03 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3dux n GLY 69 N 1.55 0.70 3.88 6.18 0.00 -1.25 -0.55 105.19 115.71 3dux n GLY 69 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3dux n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dux s LYS 70 N -0.38 3.65 0.07 1.61 1.02 -1.26 -4.35 119.74 120.10 3dux s LYS 70 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 3dux s LYS 70 Cb 0.00 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3dux s LYS 70 CO 0.00 -0.32 0.00 1.58 -0.92 0.00 0.00 175.35 175.69 3dux n HIS 71 N -2.21 -0.47 -1.85 3.18 -0.00 -1.26 -4.93 115.22 107.69 3dux n HIS 71 Ca 0.04 0.08 -0.40 0.00 -0.00 0.00 0.00 57.72 57.44 3dux n HIS 71 Cb 0.54 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.79 3dux n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3dux s SER 72 N -4.89 6.17 0.01 0.26 0.15 -1.26 -0.63 113.70 113.50 3dux s SER 72 Ca 0.00 2.93 -0.25 0.00 0.70 0.00 0.00 55.95 59.33 3dux s SER 72 Cb 0.00 -2.66 -0.16 0.00 -1.71 0.00 0.00 66.02 61.49 3dux s SER 72 CO 0.00 -0.98 1.23 -0.09 1.20 0.00 0.00 173.24 174.60 3dux h ARG 73 N 2.70 -0.45 0.00 5.44 2.43 -1.28 -3.39 114.38 119.83 3dux h ARG 73 Ca -0.51 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 3dux h ARG 73 Cb 1.25 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3dux h ARG 73 CO 0.63 -0.13 -2.02 0.25 -1.51 0.00 0.00 179.97 177.19 3dux n THR 74 N -5.16 0.50 -2.45 0.20 -2.24 -1.26 -4.97 114.28 98.90 3dux n THR 74 Ca -0.10 -0.62 -0.34 0.00 -2.27 0.00 0.00 64.05 60.73 3dux n THR 74 Cb 0.27 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3dux n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dux s ARG 75 N -3.18 3.67 -0.34 -0.78 3.00 -1.26 -5.00 118.95 115.06 3dux s ARG 75 Ca -0.08 1.39 -0.26 0.00 0.00 0.00 0.00 55.73 56.79 3dux s ARG 75 Cb 0.11 -2.07 0.01 0.00 0.00 0.00 0.00 34.95 33.00 3dux s ARG 75 CO 0.87 -0.54 0.91 -0.47 0.00 0.00 0.00 175.30 176.07 3dux s TYR 76 N -1.98 3.14 -1.11 -0.53 5.04 -1.26 -4.90 117.35 115.74 3dux s TYR 76 Ca 0.68 0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 56.12 3dux s TYR 76 Cb -0.18 -3.51 0.29 0.00 0.35 0.00 0.00 41.96 38.91 3dux s TYR 76 CO 0.23 -0.73 1.27 0.39 -1.34 0.00 0.00 175.55 175.37 3dux n GLU 77 N 6.60 3.90 -1.65 4.97 1.02 -1.26 -5.00 120.64 129.22 3dux n GLU 77 Ca 0.07 -4.48 -0.47 0.00 -0.02 0.00 0.00 57.16 52.26 3dux n GLU 77 Cb 0.48 -2.54 -0.04 0.00 -0.02 0.00 0.00 31.44 29.31 3dux n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3dux n ARG 77 N 2.21 1.90 -0.97 3.49 0.63 -1.26 -0.83 116.66 121.83 3dux n ARG 77 Ca 0.25 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 3dux n ARG 77 Cb 0.37 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.89 3dux n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3dux n ASN 78 N 2.87 -0.75 0.05 6.15 4.13 -1.26 -4.77 115.26 121.68 3dux n ASN 78 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 3dux n ASN 78 Cb 0.28 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3dux n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3dux n ILE 79 N -2.21 0.50 -1.43 2.41 5.41 -0.11 -5.08 119.36 118.85 3dux n ILE 79 Ca 0.00 0.16 -0.31 0.00 1.00 0.00 0.00 62.75 63.60 3dux n ILE 79 Cb 0.01 -0.99 0.07 0.00 -0.71 0.00 0.00 39.64 38.02 3dux n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3dux s GLU 80 N -1.62 2.57 0.01 0.38 -1.05 -0.01 -4.80 118.70 114.19 3dux s GLU 80 Ca 0.00 1.11 0.05 0.00 -0.15 0.00 0.00 54.97 55.99 3dux s GLU 80 Cb 0.00 -1.94 -0.02 0.00 -0.44 0.00 0.00 34.13 31.74 3dux s GLU 80 CO 0.00 -1.40 -0.16 0.15 0.95 0.00 0.00 175.26 174.80 3dux s LYS 81 N -4.86 1.23 -0.14 -4.83 -0.14 0.29 -4.88 119.74 106.42 3dux s LYS 81 Ca 0.61 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 3dux s LYS 81 Cb -0.16 -1.22 -0.01 0.00 -1.68 0.00 0.00 37.83 34.76 3dux s LYS 81 CO 0.54 0.33 -0.15 0.42 -0.76 0.00 0.00 175.35 175.72 3dux s ILE 82 N -0.54 2.78 0.08 2.17 1.01 -1.26 -0.43 121.20 125.01 3dux s ILE 82 Ca 0.05 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.04 3dux s ILE 82 Cb -0.07 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3dux s ILE 82 CO 0.00 0.52 -0.21 -0.44 0.00 0.00 0.00 174.94 174.81 3dux s SER 83 N 0.60 2.58 0.09 3.58 0.01 0.85 -4.97 113.70 116.45 3dux s SER 83 Ca -0.09 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 3dux s SER 83 Cb -0.16 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 3dux s SER 83 CO 0.03 0.11 0.25 -0.04 0.41 0.00 0.00 173.24 174.00 3dux s MET 84 N -1.60 3.46 -0.08 12.44 -1.94 -1.26 -1.00 119.30 129.32 3dux s MET 84 Ca 0.08 -0.42 -0.18 0.00 -1.71 0.00 0.00 55.69 53.45 3dux s MET 84 Cb -0.10 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 3dux s MET 84 CO 0.03 0.57 0.49 -0.51 -0.01 0.00 0.00 175.02 175.60 3dux s LEU 85 N -2.66 4.33 -0.12 -0.03 2.01 -1.26 -1.15 118.68 119.81 3dux s LEU 85 Ca 0.36 0.91 -0.16 0.00 0.01 0.00 0.00 54.13 55.25 3dux s LEU 85 Cb -0.13 -2.72 -0.26 0.00 0.01 0.00 0.00 46.19 43.09 3dux s LEU 85 CO 0.28 0.07 0.51 -0.08 1.01 0.00 0.00 176.35 178.14 3dux h GLU 86 N 6.20 0.21 -2.31 1.70 4.81 -0.63 -3.44 114.58 121.12 3dux h GLU 86 Ca -0.43 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.35 3dux h GLU 86 Cb 1.19 0.14 -0.21 0.00 0.63 0.00 0.00 28.75 30.49 3dux h GLU 86 CO 0.72 1.18 -0.00 0.15 -0.73 0.00 0.00 179.01 180.33 3dux s LYS 87 N -2.47 0.76 -0.10 1.92 1.02 -1.02 -4.99 119.74 114.87 3dux s LYS 87 Ca -0.21 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 56.38 3dux s LYS 87 Cb 0.05 0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 37.69 3dux s LYS 87 CO 0.75 -0.14 -0.01 0.42 -0.92 0.00 0.00 175.35 175.45 3dux s ILE 88 N -0.13 4.23 -0.14 2.17 1.01 -1.26 -0.29 121.20 126.79 3dux s ILE 88 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3dux s ILE 88 Cb -0.03 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.67 3dux s ILE 88 CO 0.03 0.58 -0.10 -0.31 0.00 0.00 0.00 174.94 175.14 3dux s TYR 89 N -0.66 1.91 -0.07 3.97 1.51 0.27 -5.01 117.35 119.27 3dux s TYR 89 Ca 0.11 -1.09 -0.00 0.00 -1.01 0.00 0.00 57.07 55.07 3dux s TYR 89 Cb -0.12 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 3dux s TYR 89 CO 0.02 -0.62 -0.03 0.42 -1.11 0.00 0.00 175.55 174.23 3dux s ILE 90 N 1.57 4.00 -0.02 2.71 1.01 -1.26 -0.85 121.20 128.36 3dux s ILE 90 Ca 0.04 -0.38 -0.37 0.00 0.00 0.00 0.00 60.65 59.93 3dux s ILE 90 Cb -0.13 -2.67 -0.16 0.00 0.01 0.00 0.00 42.46 39.51 3dux s ILE 90 CO -0.09 0.59 1.50 1.57 0.00 0.00 0.00 174.94 178.51 3dux n HIS 91 N 2.14 1.77 0.28 3.97 -0.00 -1.06 -4.85 115.22 117.47 3dux n HIS 91 Ca -0.18 0.55 0.14 0.00 -0.00 0.00 0.00 57.72 58.22 3dux n HIS 91 Cb 0.53 -2.40 0.66 0.00 -0.00 0.00 0.00 29.99 28.78 3dux n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3dux h PRO 92 N 5.66 0.00 -0.07 1.57 0.13 -1.94 -2.55 132.00 134.80 3dux h PRO 92 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3dux h PRO 92 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3dux h PRO 92 CO 0.85 0.00 -0.04 0.54 -0.23 0.00 0.00 178.00 179.11 3dux n ARG 93 N -2.46 1.70 -1.68 0.86 1.74 -1.26 -5.01 116.66 110.54 3dux n ARG 93 Ca -0.00 -2.72 -0.50 0.00 -0.77 0.00 0.00 57.85 53.85 3dux n ARG 93 Cb 0.13 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 3dux n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3dux n TYR 94 N -1.19 2.17 -3.46 -1.55 9.36 -0.96 -4.71 117.16 116.81 3dux n TYR 94 Ca 0.18 0.24 -0.42 0.00 3.32 0.00 0.00 57.90 61.23 3dux n TYR 94 Cb 0.72 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.84 3dux n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3dux s ASN 95 N 2.96 6.71 0.09 2.98 3.84 0.46 -4.82 114.94 127.16 3dux s ASN 95 Ca 0.91 -3.52 0.22 0.00 0.21 0.00 0.00 52.86 50.68 3dux s ASN 95 Cb -0.81 -2.09 0.88 0.00 -0.55 0.00 0.00 41.25 38.68 3dux s ASN 95 CO 0.52 -0.28 1.68 -2.67 -2.79 0.00 0.00 177.10 173.55 3dux n TRP 96 N 2.73 0.32 0.06 0.43 4.27 -1.26 -0.46 117.44 123.54 3dux n TRP 96 Ca 0.21 0.11 -0.10 0.00 -3.89 0.00 0.00 57.50 53.83 3dux n TRP 96 Cb 0.39 -0.68 -0.13 0.00 -1.36 0.00 0.00 31.31 29.53 3dux n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dux h ARG 97 N 0.00 0.09 0.00 -2.67 3.08 -1.99 -3.44 114.38 109.45 3dux h ARG 97 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3dux h ARG 97 Cb 0.40 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3dux h ARG 97 CO 0.00 1.02 -0.45 -1.91 -1.07 0.00 0.00 179.97 177.56 3dux n GLU 97 N -3.38 0.00 -0.24 0.04 2.13 -1.23 -4.98 120.64 112.98 3dux n GLU 97 Ca -0.05 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.78 3dux n GLU 97 Cb 0.98 -0.44 0.01 0.00 0.27 0.00 0.00 31.44 32.26 3dux n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3dux n ASN 98 N -3.21 0.21 -1.98 4.31 0.23 -1.23 -4.94 115.26 108.66 3dux n ASN 98 Ca 0.00 -1.63 -0.19 0.00 -0.53 0.00 0.00 54.58 52.23 3dux n ASN 98 Cb 0.22 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.78 3dux n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3dux n LEU 99 N -0.09 -1.74 -4.70 -4.53 4.32 0.40 -4.95 117.00 105.71 3dux n LEU 99 Ca 0.01 0.10 -0.44 0.00 -0.02 0.00 0.00 56.01 55.66 3dux n LEU 99 Cb 0.59 -2.69 -0.02 0.00 -1.62 0.00 0.00 43.42 39.69 3dux n LEU 99 CO 0.00 -0.39 1.05 -0.67 -1.22 0.00 0.00 177.39 176.16 3dux n ASP 100 N -1.46 3.03 -3.21 -1.43 2.03 -1.22 -2.81 116.55 111.47 3dux n ASP 100 Ca -0.22 1.16 -0.16 0.00 0.52 0.00 0.00 54.79 56.10 3dux n ASP 100 Cb 0.66 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.66 3dux n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dux n ARG 101 N 1.73 -6.05 -2.60 -0.67 1.74 -1.26 -0.41 116.66 109.15 3dux n ARG 101 Ca 0.09 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 3dux n ARG 101 Cb 0.34 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 3dux n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dux n ASP 102 N -2.93 4.95 -3.71 0.55 2.03 -1.12 -4.28 116.55 112.03 3dux n ASP 102 Ca -0.26 -2.92 -0.14 0.00 0.52 0.00 0.00 54.79 51.99 3dux n ASP 102 Cb 0.65 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 3dux n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3dux s ILE 103 N 4.00 0.01 -0.01 5.18 2.07 -1.26 -3.75 121.20 127.43 3dux s ILE 103 Ca 0.53 -0.09 -0.10 0.00 -1.41 0.00 0.00 60.65 59.58 3dux s ILE 103 Cb 0.04 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.97 3dux s ILE 103 CO 0.07 -0.05 0.20 0.00 -1.91 0.00 0.00 174.94 173.25 3dux s ALA 104 N -0.18 -0.50 0.05 1.50 0.00 -0.17 -2.57 121.76 119.89 3dux s ALA 104 Ca -0.04 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.06 3dux s ALA 104 Cb -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3dux s ALA 104 CO 0.02 -0.22 -0.07 -0.51 0.00 0.00 0.00 175.76 174.98 3dux s LEU 105 N -1.23 3.15 -0.07 0.00 1.43 -0.03 -1.26 118.68 120.66 3dux s LEU 105 Ca -0.13 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3dux s LEU 105 Cb -0.06 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3dux s LEU 105 CO 0.02 0.23 -0.15 -0.04 0.23 0.00 0.00 176.35 176.64 3dux s MET 106 N -1.80 2.06 -0.19 1.70 -1.94 0.85 -0.56 119.30 119.43 3dux s MET 106 Ca 0.20 -0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 53.53 3dux s MET 106 Cb -0.11 -1.65 -0.05 0.00 2.01 0.00 0.00 34.83 35.03 3dux s MET 106 CO 0.11 0.07 0.15 0.21 -0.01 0.00 0.00 175.02 175.55 3dux s LYS 107 N 0.57 4.11 0.25 2.03 2.20 0.61 -0.98 119.74 128.53 3dux s LYS 107 Ca -0.16 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.09 3dux s LYS 107 Cb -0.16 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 3dux s LYS 107 CO 0.05 0.35 0.74 -0.51 -0.36 0.00 0.00 175.35 175.62 3dux s LEU 108 N 0.21 4.28 0.25 5.43 1.43 -0.62 0.04 118.68 129.70 3dux s LEU 108 Ca 0.10 1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 3dux s LEU 108 Cb -0.11 -3.72 0.25 0.00 0.03 0.00 0.00 46.19 42.64 3dux s LEU 108 CO -0.01 -0.03 1.92 0.11 0.23 0.00 0.00 176.35 178.58 3dux h LYS 109 N 3.16 1.32 -4.86 1.70 1.57 -1.42 -3.42 116.57 114.62 3dux h LYS 109 Ca -0.48 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 57.93 3dux h LYS 109 Cb 1.19 -0.29 -0.17 0.00 0.08 0.00 0.00 32.23 33.04 3dux h LYS 109 CO 0.65 0.88 -0.72 0.15 -0.57 0.00 0.00 179.45 179.85 3dux s LYS 110 N -6.09 0.85 0.54 3.15 1.02 -1.26 -4.99 119.74 112.97 3dux s LYS 110 Ca -0.13 -1.23 -0.20 0.00 0.02 0.00 0.00 55.97 54.43 3dux s LYS 110 Cb 0.18 -0.43 -0.06 0.00 -0.52 0.00 0.00 37.83 37.00 3dux s LYS 110 CO 0.82 0.05 1.14 -1.25 -0.92 0.00 0.00 175.35 175.19 3dux s PRO 111 N -3.17 3.33 0.01 -1.68 0.04 -1.26 -4.86 135.00 127.42 3dux s PRO 111 Ca 0.08 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 3dux s PRO 111 Cb -0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3dux s PRO 111 CO -0.01 -0.88 0.37 0.54 0.04 0.00 0.00 177.00 177.06 3dux s VAL 112 N -1.73 5.12 -0.03 -0.36 0.11 -0.30 -5.03 120.40 118.19 3dux s VAL 112 Ca 0.73 0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 60.08 3dux s VAL 112 Cb -0.25 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 3dux s VAL 112 CO 0.28 0.47 1.08 0.00 -3.33 0.00 0.00 175.10 173.61 3dux s ALA 113 N -1.19 3.35 0.67 1.54 0.00 -1.26 -4.84 121.76 120.02 3dux s ALA 113 Ca 0.26 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 3dux s ALA 113 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 3dux s ALA 113 CO 0.14 -0.49 1.07 -0.06 0.00 0.00 0.00 175.76 176.41 3dux s PHE 114 N 1.57 2.96 0.02 0.00 0.08 -1.26 -4.89 117.98 116.45 3dux s PHE 114 Ca 0.53 1.48 -0.01 0.00 0.12 0.00 0.00 56.93 59.06 3dux s PHE 114 Cb -0.23 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 3dux s PHE 114 CO 0.24 -1.30 0.05 -1.13 -0.10 0.00 0.00 175.22 172.98 3dux n SER 115 N -2.72 -0.13 0.29 1.36 3.41 -0.44 -4.95 113.62 110.45 3dux n SER 115 Ca 0.08 -1.09 0.16 0.00 -0.26 0.00 0.00 58.87 57.77 3dux n SER 115 Cb 0.53 0.22 0.85 0.00 -0.26 0.00 0.00 64.21 65.55 3dux n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dux h ASP 116 N 0.12 0.00 -0.01 4.04 3.32 -1.99 -2.99 116.42 118.91 3dux h ASP 116 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dux h ASP 116 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3dux h ASP 116 CO 0.02 0.06 -0.23 -1.22 -1.72 0.00 0.00 179.24 176.15 3dux n TYR 117 N -3.37 0.00 -3.74 4.55 4.01 -1.26 -4.73 117.16 112.62 3dux n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 3dux n TYR 117 Cb 0.21 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.07 3dux n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3dux s ILE 118 N -1.47 0.52 -0.28 -0.72 1.01 -1.13 -4.03 121.20 115.10 3dux s ILE 118 Ca 0.10 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3dux s ILE 118 Cb 0.09 -0.98 0.08 0.00 0.01 0.00 0.00 42.46 41.67 3dux s ILE 118 CO 0.28 -0.14 0.76 -2.28 0.00 0.00 0.00 174.94 173.56 3dux s HIS 119 N 1.87 -0.84 0.49 3.97 2.46 -0.60 -1.32 115.29 121.32 3dux s HIS 119 Ca -0.00 1.87 -0.19 0.00 0.47 0.00 0.00 55.06 57.21 3dux s HIS 119 Cb -0.16 0.41 -0.09 0.00 -0.13 0.00 0.00 32.58 32.60 3dux s HIS 119 CO -0.08 -0.41 0.99 -1.25 -2.47 0.00 0.00 174.74 171.52 3dux s PRO 120 N 0.83 3.96 0.32 2.88 0.04 -1.26 -2.58 135.00 139.20 3dux s PRO 120 Ca -0.03 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 3dux s PRO 120 Cb -0.05 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3dux s PRO 120 CO -0.08 -0.26 0.57 0.54 0.04 0.00 0.00 177.00 177.81 3dux s VAL 121 N -2.33 5.05 0.44 -0.36 0.11 -0.68 -4.91 120.40 117.72 3dux s VAL 121 Ca 0.62 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 3dux s VAL 121 Cb -0.11 -3.79 -0.08 0.00 -1.53 0.00 0.00 36.38 30.87 3dux s VAL 121 CO 0.23 -0.45 0.86 0.00 -3.33 0.00 0.00 175.10 172.41 3dux s LEU 123 N -3.79 3.59 0.38 0.00 1.43 -1.26 -0.85 118.68 118.19 3dux s LEU 123 Ca 0.55 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.51 3dux s LEU 123 Cb -0.10 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 3dux s LEU 123 CO 0.28 0.36 1.27 -2.16 0.23 0.00 0.00 176.35 176.34 3dux s PRO 124 N -1.03 4.12 0.70 1.29 0.04 -1.26 -4.95 135.00 133.91 3dux s PRO 124 Ca 0.15 2.11 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 3dux s PRO 124 Cb -0.11 -2.85 0.08 0.00 0.04 0.00 0.00 34.50 31.66 3dux s PRO 124 CO 0.04 -0.35 1.00 0.16 0.04 0.00 0.00 177.00 177.88 3dux s ASP 125 N -0.74 4.67 0.43 6.66 1.47 -1.26 -4.86 116.67 123.05 3dux s ASP 125 Ca 0.54 0.23 0.13 0.00 1.18 0.00 0.00 52.55 54.63 3dux s ASP 125 Cb -0.37 -0.83 1.01 0.00 -0.34 0.00 0.00 42.92 42.39 3dux s ASP 125 CO 0.48 -1.66 1.99 -0.09 0.68 0.00 0.00 175.17 176.57 3dux h ARG 126 N -0.56 0.41 0.00 2.11 2.43 -1.96 -2.73 114.38 114.08 3dux h ARG 126 Ca -0.43 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.51 3dux h ARG 126 Cb 1.30 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3dux h ARG 126 CO 0.54 0.27 -1.02 0.93 -1.51 0.00 0.00 179.97 179.18 3dux h GLU 127 N 0.43 0.00 -0.92 0.20 3.07 -2.03 -1.38 114.58 113.95 3dux h GLU 127 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3dux h GLU 127 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3dux h GLU 127 CO -0.07 0.94 0.00 2.41 -1.40 0.00 0.00 179.01 180.89 3dux n THR 128 N -3.32 0.15 0.00 1.13 -1.04 -1.03 -1.35 114.28 108.81 3dux n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3dux n THR 128 Cb 0.94 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 3dux n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dux n ALA 129 N 0.55 0.00 0.04 2.41 0.00 -0.52 -1.21 120.51 121.78 3dux n ALA 129 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dux n ALA 129 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3dux n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dux h SER 129 N 0.00 0.55 0.21 0.00 0.87 -1.48 -3.37 113.55 110.34 3dux h SER 129 Ca 0.00 -0.38 -0.34 0.00 -1.23 0.00 0.00 61.79 59.85 3dux h SER 129 Cb 0.00 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 3dux h SER 129 CO 0.00 1.14 -2.10 0.18 -0.53 0.00 0.00 176.83 175.52 3dux n LEU 129 N -3.83 0.38 -4.17 2.23 4.77 -0.35 -4.67 117.00 111.36 3dux n LEU 129 Ca -0.05 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 3dux n LEU 129 Cb 0.74 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 3dux n LEU 129 CO 0.49 0.45 2.05 0.18 -1.33 0.00 0.00 177.39 179.24 3dux n LEU 130 N -2.88 5.90 -4.04 2.23 4.77 -1.26 -4.80 117.00 116.92 3dux n LEU 130 Ca -0.26 -4.25 -0.19 0.00 -0.03 0.00 0.00 56.01 51.28 3dux n LEU 130 Cb 1.11 -1.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 3dux n LEU 130 CO 0.44 0.80 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.76 3dux s GLN 131 N 2.57 0.83 0.23 3.23 -0.21 -1.26 -4.96 119.66 120.08 3dux s GLN 131 Ca 0.47 -0.37 -0.31 0.00 0.02 0.00 0.00 55.36 55.17 3dux s GLN 131 Cb 0.07 -0.80 -0.14 0.00 1.00 0.00 0.00 33.01 33.13 3dux s GLN 131 CO -0.00 0.22 1.19 0.00 -2.12 0.00 0.00 175.29 174.58 3dux n ALA 132 N 2.82 -0.04 0.00 6.09 0.00 -1.26 -1.47 120.51 126.64 3dux n ALA 132 Ca -0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3dux n ALA 132 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3dux n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dux n GLY 133 N 1.78 3.17 3.74 0.00 0.00 -0.35 -4.95 105.19 108.58 3dux n GLY 133 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3dux n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dux s TYR 134 N -2.00 3.40 0.06 1.61 1.51 -0.54 -4.64 117.35 116.75 3dux s TYR 134 Ca 0.00 1.39 -0.09 0.00 -1.01 0.00 0.00 57.07 57.35 3dux s TYR 134 Cb 0.00 -3.46 -0.06 0.00 -0.11 0.00 0.00 41.96 38.34 3dux s TYR 134 CO 0.00 -1.31 0.37 0.15 -1.11 0.00 0.00 175.55 173.65 3dux s LYS 135 N -0.19 3.73 0.33 -0.62 1.02 -1.26 -0.98 119.74 121.77 3dux s LYS 135 Ca 0.54 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3dux s LYS 135 Cb -0.33 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3dux s LYS 135 CO 0.37 0.59 0.02 0.41 -0.92 0.00 0.00 175.35 175.81 3dux n GLY 136 N 1.00 3.73 3.05 -3.33 0.00 -0.12 -4.84 105.19 104.67 3dux n GLY 136 Ca -0.09 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.37 3dux n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dux s ARG 137 N -3.21 1.82 0.06 1.61 3.52 0.67 -0.80 118.95 122.61 3dux s ARG 137 Ca 0.01 -0.47 0.09 0.00 -0.13 0.00 0.00 55.73 55.24 3dux s ARG 137 Cb -0.00 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 3dux s ARG 137 CO 0.01 0.06 -0.26 0.54 -0.81 0.00 0.00 175.30 174.84 3dux s VAL 138 N 0.57 2.13 0.04 7.11 0.11 0.23 -0.53 120.40 130.06 3dux s VAL 138 Ca -0.14 -1.43 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 3dux s VAL 138 Cb -0.16 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 3dux s VAL 138 CO 0.04 0.32 -0.09 0.42 -3.33 0.00 0.00 175.10 172.47 3dux s THR 139 N -0.84 0.66 0.00 5.04 -4.23 -1.23 -1.49 115.64 113.55 3dux s THR 139 Ca 0.12 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3dux s THR 139 Cb -0.10 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.07 3dux s THR 139 CO 0.03 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3dux n GLY 140 N 1.72 0.03 1.14 3.99 0.00 -0.72 -4.51 105.19 106.84 3dux n GLY 140 Ca -0.21 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 44.98 3dux n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dux n TRP 141 N -0.11 1.20 -1.28 1.61 8.01 -1.26 -1.52 117.44 124.08 3dux n TRP 141 Ca 0.00 -0.79 -0.27 0.00 -1.31 0.00 0.00 57.50 55.13 3dux n TRP 141 Cb 0.00 -0.33 0.21 0.00 -2.01 0.00 0.00 31.31 29.18 3dux n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dux n GLY 142 N -0.06 -2.30 3.53 6.99 0.00 -1.26 -4.59 105.19 107.50 3dux n GLY 142 Ca 0.22 -1.56 -0.49 0.00 0.00 0.00 0.00 46.02 44.19 3dux n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dux n ASN 143 N -4.36 0.52 0.02 1.61 4.13 0.32 -3.17 115.26 114.33 3dux n ASN 143 Ca 0.14 1.15 0.13 0.00 1.68 0.00 0.00 54.58 57.68 3dux n ASN 143 Cb 0.52 -1.13 0.56 0.00 -1.54 0.00 0.00 39.78 38.19 3dux n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3dux n LEU 144 N 1.77 0.13 -3.80 3.41 4.77 -1.26 -1.43 117.00 120.59 3dux n LEU 144 Ca 0.15 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.60 3dux n LEU 144 Cb 0.25 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3dux n LEU 144 CO 0.59 -0.06 0.65 -1.59 -1.33 0.00 0.00 177.39 175.66 3dux s LYS 145 N -3.02 1.42 0.00 3.23 -2.85 -1.26 -4.35 119.74 112.91 3dux s LYS 145 Ca 0.13 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 3dux s LYS 145 Cb 0.17 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 3dux s LYS 145 CO 0.51 -0.65 0.16 0.39 0.10 0.00 0.00 175.35 175.86 3dux n GLU 146 N -0.49 0.00 -4.30 1.78 1.02 -1.26 -4.96 120.64 112.43 3dux n GLU 146 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 3dux n GLU 146 Cb 0.60 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 3dux n GLU 146 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3dux s GLN 151 N 2.27 0.64 0.37 3.49 1.11 -1.26 -5.09 119.66 121.20 3dux s GLN 151 Ca 0.00 -0.27 -0.11 0.00 0.01 0.00 0.00 55.36 54.98 3dux s GLN 151 Cb 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 33.01 31.31 3dux s GLN 151 CO 0.00 0.16 0.75 -1.25 0.01 0.00 0.00 175.29 174.96 3dux s PRO 152 N -0.14 3.83 0.14 2.91 0.04 -1.26 -4.92 135.00 135.60 3dux s PRO 152 Ca 0.02 0.50 -0.08 0.00 0.04 0.00 0.00 61.00 61.48 3dux s PRO 152 Cb -0.03 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 3dux s PRO 152 CO -0.00 0.03 1.38 1.03 0.04 0.00 0.00 177.00 179.48 3dux h SER 153 N 1.57 0.79 -4.55 6.66 0.87 -1.97 -3.41 113.55 113.50 3dux h SER 153 Ca -0.47 -0.49 -0.32 0.00 -1.23 0.00 0.00 61.79 59.28 3dux h SER 153 Cb 1.18 -0.23 -0.15 0.00 -0.44 0.00 0.00 62.40 62.77 3dux h SER 153 CO 0.64 1.26 -0.64 0.68 -0.53 0.00 0.00 176.83 178.25 3dux s VAL 154 N -3.82 0.59 0.08 2.23 -7.23 -1.26 -0.94 120.40 110.04 3dux s VAL 154 Ca -0.09 -1.99 -0.37 0.00 -1.81 0.00 0.00 61.98 57.73 3dux s VAL 154 Cb 0.10 -2.39 -0.18 0.00 0.56 0.00 0.00 36.38 34.47 3dux s VAL 154 CO 0.88 -0.22 1.14 -0.11 -0.31 0.00 0.00 175.10 176.48 3dux n LEU 155 N -0.35 0.77 -4.73 1.32 7.94 0.20 -4.82 117.00 117.33 3dux n LEU 155 Ca -0.03 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.74 3dux n LEU 155 Cb 0.65 -1.07 -0.07 0.00 0.53 0.00 0.00 43.42 43.46 3dux n LEU 155 CO 0.35 -1.57 -0.28 -1.10 -1.11 0.00 0.00 177.39 173.68 3dux s GLN 156 N 0.03 2.66 0.00 1.96 -1.52 -0.58 -0.71 119.66 121.50 3dux s GLN 156 Ca 0.83 -0.94 0.03 0.00 -1.95 0.00 0.00 55.36 53.33 3dux s GLN 156 Cb -1.06 -2.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 3dux s GLN 156 CO 0.52 0.49 -0.08 0.14 -0.25 0.00 0.00 175.29 176.11 3dux s VAL 157 N -1.64 0.63 -0.08 1.09 -7.23 0.02 -1.76 120.40 111.44 3dux s VAL 157 Ca 0.29 -0.45 -0.07 0.00 -1.81 0.00 0.00 61.98 59.93 3dux s VAL 157 Cb -0.10 -0.55 0.02 0.00 0.56 0.00 0.00 36.38 36.31 3dux s VAL 157 CO 0.21 0.10 0.21 0.54 -0.31 0.00 0.00 175.10 175.85 3dux s VAL 158 N -0.35 0.00 -0.19 1.32 0.11 -0.55 -0.83 120.40 119.91 3dux s VAL 158 Ca 0.02 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 3dux s VAL 158 Cb -0.04 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3dux s VAL 158 CO -0.00 -0.01 0.11 0.20 -3.33 0.00 0.00 175.10 172.07 3dux s ASN 159 N 0.06 6.04 -0.01 3.54 0.01 -1.26 -0.60 114.94 122.73 3dux s ASN 159 Ca -0.00 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 3dux s ASN 159 Cb -0.02 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.59 3dux s ASN 159 CO 0.00 0.18 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.97 3dux s LEU 160 N 0.36 1.95 0.22 0.60 1.43 0.02 -4.96 118.68 118.30 3dux s LEU 160 Ca 0.07 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 3dux s LEU 160 Cb -0.11 -0.25 -0.08 0.00 0.03 0.00 0.00 46.19 45.77 3dux s LEU 160 CO -0.01 0.05 1.02 -2.16 0.23 0.00 0.00 176.35 175.47 3dux s PRO 161 N -0.03 4.73 0.39 1.29 0.04 -1.26 -0.95 135.00 139.22 3dux s PRO 161 Ca 0.01 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 3dux s PRO 161 Cb -0.03 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 3dux s PRO 161 CO -0.00 0.31 1.43 0.42 0.04 0.00 0.00 177.00 179.20 3dux s ILE 162 N -0.84 2.19 0.09 0.56 1.01 -0.16 -0.95 121.20 123.11 3dux s ILE 162 Ca 0.44 0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.33 3dux s ILE 162 Cb -0.28 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3dux s ILE 162 CO 0.35 0.04 -0.02 -0.69 0.00 0.00 0.00 174.94 174.62 3dux s VAL 163 N -1.15 3.89 0.39 2.92 1.01 -0.33 -1.21 120.40 125.91 3dux s VAL 163 Ca 0.54 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3dux s VAL 163 Cb -0.44 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3dux s VAL 163 CO 0.59 0.11 1.35 -1.61 0.00 0.00 0.00 175.10 175.54 3dux s GLU 164 N -2.30 4.04 0.31 2.72 8.01 -1.26 -4.64 118.70 125.57 3dux s GLU 164 Ca 0.25 2.28 0.03 0.00 0.01 0.00 0.00 54.97 57.54 3dux s GLU 164 Cb -0.12 -2.85 0.63 0.00 -4.31 0.00 0.00 34.13 27.48 3dux s GLU 164 CO 0.17 -0.47 1.85 0.07 0.01 0.00 0.00 175.26 176.90 3dux h ARG 165 N 2.84 0.89 -0.48 1.61 -0.00 -1.97 -0.53 114.38 116.73 3dux h ARG 165 Ca -0.50 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.98 59.37 3dux h ARG 165 Cb 1.24 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.99 3dux h ARG 165 CO 0.63 0.59 0.07 -1.35 -0.00 0.00 0.00 179.97 179.91 3dux h PRO 166 N 0.91 0.75 -0.40 0.08 0.11 -1.99 0.58 132.00 132.05 3dux h PRO 166 Ca 0.47 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 3dux h PRO 166 Cb 0.52 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3dux h PRO 166 CO -0.23 0.71 0.02 0.28 -0.21 0.00 0.00 178.00 178.57 3dux h VAL 167 N 0.72 1.26 -0.16 3.15 2.07 -1.67 0.44 116.25 122.05 3dux h VAL 167 Ca 0.15 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3dux h VAL 167 Cb 0.33 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3dux h VAL 167 CO 0.01 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 177.84 3dux h LYS 169 N -0.08 1.00 0.00 0.00 1.57 -0.71 -2.12 116.57 116.23 3dux h LYS 169 Ca 0.09 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3dux h LYS 169 Cb 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dux h LYS 169 CO -0.21 0.91 0.00 -0.25 -0.57 0.00 0.00 179.45 179.33 3dux n ASP 170 N -4.23 0.00 -0.28 0.86 8.00 0.13 -3.02 116.55 118.00 3dux n ASP 170 Ca 0.04 0.25 0.14 0.00 0.71 0.00 0.00 54.79 55.93 3dux n ASP 170 Cb 0.27 -0.40 0.49 0.00 -0.02 0.00 0.00 41.12 41.46 3dux n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3dux n SER 171 N -1.40 1.00 -3.89 -2.24 3.41 -0.71 -4.95 113.62 104.85 3dux n SER 171 Ca 0.08 -1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 3dux n SER 171 Cb 0.21 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 3dux n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dux s THR 172 N -2.33 0.15 -0.60 6.66 -1.32 -1.17 -4.79 115.64 112.25 3dux s THR 172 Ca 0.30 -1.24 0.24 0.00 -1.21 0.00 0.00 61.69 59.78 3dux s THR 172 Cb 0.20 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 3dux s THR 172 CO 0.45 -0.69 1.26 0.03 -2.21 0.00 0.00 174.62 173.46 3dux h ARG 173 N 2.89 0.00 -6.99 7.08 3.08 -1.92 -3.48 114.38 115.04 3dux h ARG 173 Ca -0.34 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.18 3dux h ARG 173 Cb 1.19 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.34 3dux h ARG 173 CO 0.57 0.00 0.62 0.42 -1.07 0.00 0.00 179.97 180.50 3dux s ILE 174 N -3.19 2.43 -0.49 2.04 -1.09 -1.26 -4.96 121.20 114.69 3dux s ILE 174 Ca 0.05 0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.56 3dux s ILE 174 Cb 0.13 -3.21 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3dux s ILE 174 CO 0.74 0.03 1.59 -0.60 -1.23 0.00 0.00 174.94 175.47 3dux s ARG 175 N -2.50 3.23 0.17 2.79 3.52 -1.26 -5.02 118.95 119.89 3dux s ARG 175 Ca 0.62 0.79 -0.27 0.00 -0.13 0.00 0.00 55.73 56.75 3dux s ARG 175 Cb -0.39 -4.17 -0.08 0.00 -1.56 0.00 0.00 34.95 28.75 3dux s ARG 175 CO 0.48 -2.00 0.83 0.42 -0.81 0.00 0.00 175.30 174.22 3dux s ILE 176 N 6.71 4.34 0.49 4.11 -1.09 -1.26 -4.85 121.20 129.64 3dux s ILE 176 Ca 0.63 1.81 0.06 0.00 -2.23 0.00 0.00 60.65 60.92 3dux s ILE 176 Cb -0.14 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3dux s ILE 176 CO 0.28 0.49 0.32 0.42 -1.23 0.00 0.00 174.94 175.21 3dux s THR 177 N -0.98 1.96 -0.88 2.92 -4.23 -1.26 -4.99 115.64 108.18 3dux s THR 177 Ca 0.38 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 3dux s THR 177 Cb -0.24 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.26 3dux s THR 177 CO 0.28 0.00 1.58 0.47 -0.54 0.00 0.00 174.62 176.40 3dux n ASP 178 N -1.57 0.17 -1.38 3.99 8.00 -1.26 -2.77 116.55 121.74 3dux n ASP 178 Ca -0.02 0.54 0.06 0.00 0.71 0.00 0.00 54.79 56.08 3dux n ASP 178 Cb 0.64 -0.58 0.28 0.00 -0.02 0.00 0.00 41.12 41.45 3dux n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dux n ASN 179 N -1.69 4.05 -4.10 -2.24 3.02 -1.26 -4.86 115.26 108.18 3dux n ASN 179 Ca 0.04 -2.50 -0.10 0.00 -0.03 0.00 0.00 54.58 51.99 3dux n ASN 179 Cb 0.21 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 3dux n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3dux s MET 180 N -2.01 0.63 0.10 3.52 1.00 -1.11 -0.90 119.30 120.52 3dux s MET 180 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 55.69 55.01 3dux s MET 180 Cb 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 34.83 35.01 3dux s MET 180 CO 0.15 -0.04 -0.02 -0.59 0.00 0.00 0.00 175.02 174.53 3dux s PHE 181 N -2.93 0.83 0.23 -0.03 -0.12 -0.50 -4.81 117.98 110.65 3dux s PHE 181 Ca 0.02 -1.05 0.11 0.00 -0.05 0.00 0.00 56.93 55.95 3dux s PHE 181 Cb 0.01 -0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 3dux s PHE 181 CO -0.05 -0.32 -0.21 0.00 -0.05 0.00 0.00 175.22 174.60 3dux s ALA 183 N -2.20 -0.42 0.00 0.00 0.00 -0.51 -1.19 121.76 117.44 3dux s ALA 183 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3dux s ALA 183 Cb -0.06 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3dux s ALA 183 CO 0.11 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3dux n GLY 184 N 0.75 3.66 3.87 0.00 0.00 -0.13 -1.95 105.19 111.38 3dux n GLY 184 Ca -0.19 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 3dux n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dux s TYR 184 N -2.04 3.43 0.58 1.61 2.02 -1.26 -4.50 117.35 117.19 3dux s TYR 184 Ca 0.00 0.95 -0.13 0.00 -0.37 0.00 0.00 57.07 57.52 3dux s TYR 184 Cb 0.00 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 3dux s TYR 184 CO 0.00 0.14 1.01 0.15 -1.57 0.00 0.00 175.55 175.28 3dux s LYS 185 N -3.19 3.71 0.34 -0.62 1.02 -1.26 -4.78 119.74 114.97 3dux s LYS 185 Ca 0.49 0.81 0.06 0.00 0.02 0.00 0.00 55.97 57.35 3dux s LYS 185 Cb -0.11 -2.10 0.73 0.00 -0.52 0.00 0.00 37.83 35.83 3dux s LYS 185 CO 0.24 -0.47 1.90 -1.35 -0.92 0.00 0.00 175.35 174.75 3dux h PRO 186 N 0.09 0.77 0.00 -1.68 0.11 -1.96 0.09 132.00 129.43 3dux h PRO 186 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dux h PRO 186 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dux h PRO 186 CO 0.62 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 3dux n ASP 186 N -4.53 0.00 0.07 -2.05 5.75 -1.26 -3.57 116.55 110.96 3dux n ASP 186 Ca 0.15 -0.88 0.11 0.00 -0.01 0.00 0.00 54.79 54.16 3dux n ASP 186 Cb 0.35 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.45 3dux n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dux n GLU 186 N -0.94 0.49 0.00 0.11 1.02 0.02 -4.99 120.64 116.35 3dux n GLU 186 Ca 0.17 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3dux n GLU 186 Cb 0.08 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3dux n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dux n GLY 186 N 1.26 2.03 3.45 0.62 0.00 -1.23 -4.99 105.19 106.33 3dux n GLY 186 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3dux n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dux n LYS 186 N 0.00 -0.09 -1.23 1.61 5.02 -1.26 -5.05 118.16 117.16 3dux n LYS 186 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3dux n LYS 186 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3dux n LYS 186 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3dux n ARG 187 N -1.57 0.00 0.00 1.97 1.85 -1.26 -4.76 116.66 112.89 3dux n ARG 187 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 3dux n ARG 187 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 3dux n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dux n GLY 188 N 0.00 4.17 3.61 2.89 0.00 -1.26 -4.93 105.19 109.68 3dux n GLY 188 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 3dux n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dux s ASP 189 N 0.00 -0.20 0.85 1.61 2.15 -1.03 -4.67 116.67 115.37 3dux s ASP 189 Ca 0.00 -0.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.72 3dux s ASP 189 Cb 0.00 0.31 0.10 0.00 -0.30 0.00 0.00 42.92 43.04 3dux s ASP 189 CO 0.00 -0.55 1.17 0.00 -0.17 0.00 0.00 175.17 175.63 3dux s ALA 190 N -2.87 2.36 0.36 3.66 0.00 -1.26 -0.45 121.76 123.56 3dux s ALA 190 Ca 0.10 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 3dux s ALA 190 Cb 0.00 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3dux s ALA 190 CO -0.04 -1.90 0.63 0.00 0.00 0.00 0.00 175.76 174.45 3dux n GLU 192 N -0.55 0.23 0.00 0.00 -0.58 -1.26 -0.80 120.64 117.68 3dux n GLU 192 Ca -0.04 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3dux n GLU 192 Cb 0.61 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3dux n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dux n GLY 193 N 2.76 2.85 0.07 0.62 0.00 -1.26 -0.52 105.19 109.71 3dux n GLY 193 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 3dux n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dux n ASP 194 N 0.00 0.72 -4.13 1.61 8.00 0.01 -3.64 116.55 119.12 3dux n ASP 194 Ca 0.00 0.16 -0.49 0.00 0.71 0.00 0.00 54.79 55.17 3dux n ASP 194 Cb 0.00 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 3dux n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dux n SER 195 N -2.14 -0.67 0.00 -2.24 7.64 -1.26 -1.42 113.62 113.54 3dux n SER 195 Ca 0.03 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.98 3dux n SER 195 Cb 0.44 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3dux n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dux n GLY 196 N 1.66 2.39 3.83 0.23 0.00 -0.51 0.02 105.19 112.82 3dux n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3dux n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dux s GLY 197 N -1.99 1.62 0.12 -0.02 0.00 -0.50 -3.13 107.32 103.41 3dux s GLY 197 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 3dux s GLY 197 CO 0.00 0.12 0.48 2.56 0.00 0.00 0.00 173.10 176.26 3dux s PRO 198 N -5.26 3.87 -0.35 2.90 0.04 -1.26 -0.38 135.00 134.56 3dux s PRO 198 Ca 0.61 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.86 3dux s PRO 198 Cb -0.13 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 3dux s PRO 198 CO 0.53 0.51 0.24 0.12 0.04 0.00 0.00 177.00 178.44 3dux s PHE 199 N -1.44 3.23 0.23 0.56 2.19 -0.24 -3.57 117.98 118.93 3dux s PHE 199 Ca 0.36 -0.38 0.11 0.00 0.33 0.00 0.00 56.93 57.35 3dux s PHE 199 Cb -0.14 -2.49 -0.05 0.00 -1.31 0.00 0.00 43.02 39.03 3dux s PHE 199 CO 0.19 -0.44 -0.18 0.14 1.83 0.00 0.00 175.22 176.76 3dux s VAL 200 N 1.69 2.66 0.04 3.12 -7.23 0.31 -1.07 120.40 119.92 3dux s VAL 200 Ca 0.05 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3dux s VAL 200 Cb -0.18 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 3dux s VAL 200 CO 0.10 -0.25 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.51 3dux s MET 201 N -3.13 0.55 -0.33 4.82 -1.94 0.06 -0.24 119.30 119.10 3dux s MET 201 Ca 0.26 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.42 3dux s MET 201 Cb -0.07 -0.38 -0.02 0.00 2.01 0.00 0.00 34.83 36.37 3dux s MET 201 CO 0.14 0.08 0.22 0.21 -0.01 0.00 0.00 175.02 175.66 3dux s LYS 202 N -1.38 3.55 0.16 2.03 2.20 -1.26 -1.01 119.74 124.03 3dux s LYS 202 Ca -0.07 -0.60 -0.32 0.00 -0.36 0.00 0.00 55.97 54.62 3dux s LYS 202 Cb -0.09 -3.76 -0.10 0.00 -1.51 0.00 0.00 37.83 32.37 3dux s LYS 202 CO 0.01 -0.40 1.60 0.45 -0.36 0.00 0.00 175.35 176.65 3dux s SER 203 N 1.72 6.55 0.00 1.43 0.15 0.25 -4.85 113.70 118.95 3dux s SER 203 Ca 0.06 2.65 0.31 0.00 0.70 0.00 0.00 55.95 59.67 3dux s SER 203 Cb -0.17 -2.59 1.61 0.00 -1.71 0.00 0.00 66.02 63.15 3dux s SER 203 CO 0.10 -0.86 2.08 -0.81 1.20 0.00 0.00 173.24 174.96 3dux n PRO 204 N 4.13 0.67 0.04 5.44 -0.04 -1.26 -0.90 135.00 143.08 3dux n PRO 204 Ca 0.14 -0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 3dux n PRO 204 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 3dux n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3dux h PHE 204 N 0.12 0.60 0.00 0.54 0.04 -1.97 -3.41 116.94 112.86 3dux h PHE 204 Ca 0.00 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3dux h PHE 204 Cb 0.20 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3dux h PHE 204 CO 0.00 1.66 0.00 0.27 -0.60 0.00 0.00 178.31 179.64 3dux n ASN 204 N -3.68 0.95 -2.48 2.17 2.04 -1.24 -5.02 115.26 108.00 3dux n ASN 204 Ca -0.26 -1.36 -0.21 0.00 -0.44 0.00 0.00 54.58 52.31 3dux n ASN 204 Cb 1.02 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 38.26 3dux n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3dux n ASN 205 N -0.18 -5.81 -4.77 0.53 4.13 -0.08 -4.99 115.26 104.08 3dux n ASN 205 Ca 0.00 -0.04 -0.31 0.00 1.68 0.00 0.00 54.58 55.91 3dux n ASN 205 Cb 0.26 -4.83 -0.07 0.00 -1.54 0.00 0.00 39.78 33.60 3dux n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3dux s ARG 206 N -5.13 2.91 -0.00 3.52 0.52 -1.25 -4.84 118.95 114.68 3dux s ARG 206 Ca 0.04 -0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 54.33 3dux s ARG 206 Cb -0.02 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3dux s ARG 206 CO 0.04 0.59 0.84 -1.58 0.02 0.00 0.00 175.30 175.21 3dux s TRP 207 N -1.32 3.67 -0.05 -0.53 0.52 -1.26 -0.58 118.94 119.38 3dux s TRP 207 Ca 0.27 1.51 0.06 0.00 0.02 0.00 0.00 56.10 57.96 3dux s TRP 207 Cb -0.12 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.24 3dux s TRP 207 CO 0.19 0.11 -0.22 0.71 0.02 0.00 0.00 176.95 177.77 3dux s TYR 208 N 0.59 2.49 -0.48 -1.98 2.02 -0.18 -2.17 117.35 117.65 3dux s TYR 208 Ca 0.44 -0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 56.46 3dux s TYR 208 Cb -0.20 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3dux s TYR 208 CO 0.24 -0.04 0.78 -1.14 -1.57 0.00 0.00 175.55 173.82 3dux s GLN 209 N -0.46 3.32 0.10 -0.62 0.74 -0.03 -0.76 119.66 121.96 3dux s GLN 209 Ca 0.05 -0.30 0.22 0.00 0.05 0.00 0.00 55.36 55.39 3dux s GLN 209 Cb -0.12 -3.99 -0.12 0.00 1.10 0.00 0.00 33.01 29.88 3dux s GLN 209 CO 0.01 -1.21 0.84 -1.33 -0.55 0.00 0.00 175.29 173.05 3dux n MET 210 N 6.75 0.59 -3.86 1.67 2.81 -0.23 -4.38 117.12 120.47 3dux n MET 210 Ca 0.00 -0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.79 3dux n MET 210 Cb 0.48 -1.69 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 3dux n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dux s GLY 211 N -4.35 0.20 -0.07 3.03 0.00 -0.93 -1.85 107.32 103.35 3dux s GLY 211 Ca -0.03 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.11 3dux s GLY 211 CO 0.83 -0.70 -0.22 -0.42 0.00 0.00 0.00 173.10 172.60 3dux s ILE 212 N -3.90 1.88 -0.04 0.90 1.01 -0.92 -1.08 121.20 119.05 3dux s ILE 212 Ca 0.11 -0.94 -0.32 0.00 0.00 0.00 0.00 60.65 59.50 3dux s ILE 212 Cb 0.03 -1.61 -0.10 0.00 0.01 0.00 0.00 42.46 40.79 3dux s ILE 212 CO -0.05 0.52 1.94 0.52 0.00 0.00 0.00 174.94 177.87 3dux n VAL 213 N 3.31 0.67 0.06 2.92 0.31 0.49 -1.09 118.33 125.00 3dux n VAL 213 Ca -0.19 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3dux n VAL 213 Cb 0.52 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3dux n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3dux n SER 214 N 7.29 0.86 -3.58 4.52 2.88 -0.27 -1.43 113.62 123.89 3dux n SER 214 Ca 0.22 0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.84 3dux n SER 214 Cb 0.35 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 3dux n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3dux s TRP 215 N -2.00 -0.29 -0.16 0.66 1.48 -0.69 -4.94 118.94 113.00 3dux s TRP 215 Ca 0.00 0.02 -0.28 0.00 -1.06 0.00 0.00 56.10 54.78 3dux s TRP 215 Cb 0.00 0.33 0.08 0.00 -1.16 0.00 0.00 33.47 32.72 3dux s TRP 215 CO 0.00 -0.73 0.76 0.20 -4.06 0.00 0.00 176.95 173.13 3dux s GLY 216 N -2.73 -0.49 -0.57 3.67 0.00 -1.26 -0.24 107.32 105.70 3dux s GLY 216 Ca 0.02 1.79 -0.23 0.00 0.00 0.00 0.00 44.72 46.29 3dux s GLY 216 CO -0.11 1.34 0.90 -0.54 0.00 0.00 0.00 173.10 174.68 3dux s GLU 217 N -0.48 3.24 1.34 2.90 2.02 -1.26 -4.82 118.70 121.64 3dux s GLU 217 Ca -0.05 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3dux s GLU 217 Cb -0.02 -4.11 0.00 0.00 0.10 0.00 0.00 34.13 30.10 3dux s GLU 217 CO 0.04 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.19 3dux n GLY 219 N 5.18 -1.73 2.75 -1.39 0.00 -1.26 -4.77 105.19 103.98 3dux n GLY 219 Ca -0.01 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 3dux n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dux n ASP 221 N 4.94 -6.21 -4.74 0.00 2.03 -1.26 -4.53 116.55 106.78 3dux n ASP 221 Ca -0.11 -0.44 -0.41 0.00 0.52 0.00 0.00 54.79 54.36 3dux n ASP 221 Cb 0.50 -4.94 -0.05 0.00 -0.72 0.00 0.00 41.12 35.91 3dux n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dux s ARG 221 N -6.07 4.75 0.33 -0.67 0.52 -1.26 -4.93 118.95 111.61 3dux s ARG 221 Ca 0.47 1.46 -0.29 0.00 -0.52 0.00 0.00 55.73 56.85 3dux s ARG 221 Cb -0.21 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 31.80 3dux s ARG 221 CO 0.58 0.32 1.57 -0.51 0.02 0.00 0.00 175.30 177.28 3dux s ASP 222 N -0.41 6.34 0.00 0.23 1.11 -1.26 -2.30 116.67 120.38 3dux s ASP 222 Ca 0.45 3.01 0.00 0.00 0.18 0.00 0.00 52.55 56.19 3dux s ASP 222 Cb -0.24 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.10 3dux s ASP 222 CO 0.31 -0.92 0.00 0.61 1.18 0.00 0.00 175.17 176.35 3dux n GLY 223 N 1.55 1.82 3.60 0.21 0.00 -1.26 -5.01 105.19 106.09 3dux n GLY 223 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3dux n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dux s LYS 224 N -0.19 2.09 0.06 1.61 1.02 -0.97 -4.77 119.74 118.59 3dux s LYS 224 Ca 0.00 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 54.42 3dux s LYS 224 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 3dux s LYS 224 CO 0.00 0.30 -0.06 0.71 -0.92 0.00 0.00 175.35 175.37 3dux s TYR 225 N -2.42 0.69 0.26 3.18 1.51 -1.26 -4.75 117.35 114.55 3dux s TYR 225 Ca 0.32 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.52 3dux s TYR 225 Cb -0.05 -0.42 -0.08 0.00 -0.11 0.00 0.00 41.96 41.31 3dux s TYR 225 CO 0.19 -0.15 0.65 0.20 -1.11 0.00 0.00 175.55 175.32 3dux s GLY 226 N -2.25 2.37 -0.06 0.71 0.00 -0.82 -4.62 107.32 102.65 3dux s GLY 226 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.68 3dux s GLY 226 CO -0.03 0.15 -0.12 -1.36 0.00 0.00 0.00 173.10 171.74 3dux s PHE 227 N -1.80 2.76 -0.04 1.90 0.40 0.67 -1.42 117.98 120.45 3dux s PHE 227 Ca 0.48 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 3dux s PHE 227 Cb -0.12 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.75 3dux s PHE 227 CO 0.19 0.19 -0.14 0.71 0.70 0.00 0.00 175.22 176.87 3dux s TYR 228 N -0.67 1.47 0.19 0.36 1.51 -0.24 -1.12 117.35 118.84 3dux s TYR 228 Ca 0.10 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.43 3dux s TYR 228 Cb -0.11 -1.01 -0.10 0.00 -0.11 0.00 0.00 41.96 40.63 3dux s TYR 228 CO 0.01 -0.15 1.52 0.99 -1.11 0.00 0.00 175.55 176.81 3dux s THR 229 N 0.13 2.68 -0.82 -0.71 2.01 -0.25 -1.41 115.64 117.27 3dux s THR 229 Ca -0.04 0.51 -0.25 0.00 0.31 0.00 0.00 61.69 62.21 3dux s THR 229 Cb -0.11 -3.32 0.05 0.00 0.01 0.00 0.00 72.50 69.12 3dux s THR 229 CO 0.02 0.05 1.29 -2.28 -0.69 0.00 0.00 174.62 173.00 3dux s HIS 230 N 0.82 2.45 0.20 4.92 2.46 -0.08 -2.16 115.29 123.90 3dux s HIS 230 Ca 0.67 -0.42 -0.11 0.00 0.47 0.00 0.00 55.06 55.67 3dux s HIS 230 Cb -0.43 -4.59 0.16 0.00 -0.13 0.00 0.00 32.58 27.59 3dux s HIS 230 CO 0.35 -1.95 1.87 0.28 -2.47 0.00 0.00 174.74 172.81 3dux h VAL 231 N 6.24 1.16 -0.94 0.89 2.07 -1.67 -2.32 116.25 121.67 3dux h VAL 231 Ca -0.11 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3dux h VAL 231 Cb 1.04 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3dux h VAL 231 CO 1.30 0.17 0.62 0.15 0.02 0.00 0.00 177.57 179.83 3dux h PHE 232 N 0.94 1.16 0.00 1.57 3.57 -1.87 -1.57 116.94 120.73 3dux h PHE 232 Ca 0.27 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3dux h PHE 232 Cb -0.07 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.28 3dux h PHE 232 CO -0.03 0.70 -0.05 0.00 -2.23 0.00 0.00 178.31 176.69 3dux h ARG 233 N 1.22 0.00 -0.32 1.11 2.47 -1.79 -2.38 114.38 114.69 3dux h ARG 233 Ca 0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 3dux h ARG 233 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3dux h ARG 233 CO -0.10 0.05 0.00 1.28 0.56 0.00 0.00 179.97 181.76 3dux n LEU 234 N -3.44 3.94 -0.33 3.04 4.77 -0.62 -4.66 117.00 119.70 3dux n LEU 234 Ca -0.02 -2.81 -0.02 0.00 -0.03 0.00 0.00 56.01 53.13 3dux n LEU 234 Cb 0.18 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.87 3dux n LEU 234 CO 0.27 0.69 1.24 0.11 -1.33 0.00 0.00 177.39 178.36 3dux h LYS 235 N 2.16 1.11 -0.25 3.23 1.79 -1.06 -1.84 116.57 121.71 3dux h LYS 235 Ca 0.00 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 3dux h LYS 235 Cb 1.38 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 3dux h LYS 235 CO 0.21 0.74 0.03 1.57 -1.08 0.00 0.00 179.45 180.92 3dux h LYS 236 N 1.15 0.12 -0.67 3.15 5.09 -1.83 0.14 116.57 123.72 3dux h LYS 236 Ca 0.35 -0.01 0.03 0.00 0.09 0.00 0.00 60.65 61.12 3dux h LYS 236 Cb -0.03 -0.03 -0.04 0.00 0.10 0.00 0.00 32.23 32.23 3dux h LYS 236 CO -0.11 0.08 0.41 2.35 -2.09 0.00 0.00 179.45 180.09 3dux h TRP 237 N 0.12 0.76 -0.70 0.07 7.01 -1.83 0.11 115.95 121.49 3dux h TRP 237 Ca 0.12 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3dux h TRP 237 Cb 0.13 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 3dux h TRP 237 CO -0.17 0.42 0.27 0.82 -2.79 0.00 0.00 178.44 176.99 3dux h ILE 238 N 0.79 1.25 -0.48 2.65 2.04 -0.59 -0.54 117.51 122.63 3dux h ILE 238 Ca 0.27 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3dux h ILE 238 Cb 0.05 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3dux h ILE 238 CO -0.12 0.32 0.11 1.56 0.00 0.00 0.00 178.15 180.02 3dux h GLN 239 N 1.00 0.77 -0.15 2.37 4.20 -0.20 -1.38 115.11 121.72 3dux h GLN 239 Ca 0.23 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3dux h GLN 239 Cb 0.23 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3dux h GLN 239 CO -0.02 0.75 -0.04 1.57 -0.67 0.00 0.00 178.83 180.42 3dux h LYS 240 N 0.65 -0.00 0.01 1.46 -0.00 -0.49 0.32 116.57 118.51 3dux h LYS 240 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.80 3dux h LYS 240 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.56 3dux h LYS 240 CO 0.00 -0.00 -0.00 0.28 -0.00 0.00 0.00 179.45 179.73 3dux h VAL 241 N -0.00 1.03 -0.38 0.07 2.07 -0.73 -1.94 116.25 116.37 3dux h VAL 241 Ca 0.07 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3dux h VAL 241 Cb 0.12 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3dux h VAL 241 CO -0.16 0.03 0.15 0.40 0.02 0.00 0.00 177.57 178.00 3dux h ILE 242 N -0.05 1.20 0.00 4.57 2.04 -1.09 0.48 117.51 124.65 3dux h ILE 242 Ca -0.00 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 3dux h ILE 242 Cb 0.05 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dux h ILE 242 CO 0.00 0.22 -0.01 0.44 0.00 0.00 0.00 178.15 178.80 3dux h ASP 243 N 0.47 0.00 0.03 1.72 3.32 -0.20 0.48 116.42 122.25 3dux h ASP 243 Ca 0.13 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.79 3dux h ASP 243 Cb 0.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3dux h ASP 243 CO -0.01 0.01 -2.35 0.00 -1.72 0.00 0.00 179.24 175.17 3dux n GLN 244 N -3.13 0.68 -0.06 3.56 3.00 -0.74 -4.59 117.38 116.09 3dux n GLN 244 Ca -0.01 0.18 0.06 0.00 -0.01 0.00 0.00 57.00 57.22 3dux n GLN 244 Cb 0.18 -1.57 0.09 0.00 0.00 0.00 0.00 30.24 28.94 3dux n GLN 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3dux n PHE 245 N -3.34 0.16 0.00 1.08 3.01 0.13 -5.11 117.46 113.40 3dux n PHE 245 Ca -0.42 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 57.87 3dux n PHE 245 Cb 1.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 3dux n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18