#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxk s ALA 3 N 0.00 2.09 -0.26 3.55 0.00 -1.26 -5.01 121.76 120.87 3dxk s ALA 3 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 3dxk s ALA 3 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3dxk s ALA 3 CO 0.00 -1.86 0.53 0.71 0.00 0.00 0.00 175.76 175.14 3dxk s TYR 4 N -3.03 3.27 0.32 0.00 2.02 -1.26 -5.07 117.35 113.60 3dxk s TYR 4 Ca 0.61 0.65 0.07 0.00 -0.37 0.00 0.00 57.07 58.03 3dxk s TYR 4 Cb -0.16 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.64 3dxk s TYR 4 CO 0.55 -0.29 0.34 -1.01 -1.57 0.00 0.00 175.55 173.57 3dxk s HIS 5 N 2.33 3.01 0.33 2.71 3.76 -1.26 -5.01 115.29 121.16 3dxk s HIS 5 Ca 0.22 -0.25 -0.19 0.00 -0.15 0.00 0.00 55.06 54.68 3dxk s HIS 5 Cb -0.16 -1.81 -0.09 0.00 1.11 0.00 0.00 32.58 31.63 3dxk s HIS 5 CO 0.09 0.16 0.82 0.45 -0.85 0.00 0.00 174.74 175.42 3dxk s SER 6 N -4.04 6.97 -0.31 1.40 0.15 -1.26 -5.00 113.70 111.62 3dxk s SER 6 Ca 0.41 1.51 0.08 0.00 0.70 0.00 0.00 55.95 58.65 3dxk s SER 6 Cb -0.07 -2.46 0.46 0.00 -1.71 0.00 0.00 66.02 62.23 3dxk s SER 6 CO 0.28 -0.17 1.17 -1.54 1.20 0.00 0.00 173.24 174.18 3dxk n SER 7 N -0.04 4.64 -0.00 5.45 3.41 -1.26 -4.73 113.62 121.09 3dxk n SER 7 Ca 0.03 -3.62 0.04 0.00 -0.26 0.00 0.00 58.87 55.06 3dxk n SER 7 Cb 0.52 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 3dxk n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dxk n LEU 8 N -0.66 0.32 -4.68 1.04 4.77 -1.26 -5.01 117.00 111.52 3dxk n LEU 8 Ca 0.40 -0.39 -0.45 0.00 -0.03 0.00 0.00 56.01 55.55 3dxk n LEU 8 Cb 0.91 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.96 3dxk n LEU 8 CO 0.37 0.08 1.37 0.80 -1.33 0.00 0.00 177.39 178.68 3dxk n MET 9 N -1.35 2.42 -4.27 3.23 1.56 -1.26 -4.99 117.12 112.47 3dxk n MET 9 Ca 0.01 0.88 -0.29 0.00 -0.27 0.00 0.00 57.70 58.02 3dxk n MET 9 Cb 0.16 -2.71 -0.11 0.00 2.15 0.00 0.00 33.22 32.71 3dxk n MET 9 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3dxk s ASP 10 N 2.27 4.10 0.00 6.12 1.01 -1.26 -4.98 116.67 123.92 3dxk s ASP 10 Ca 0.83 -0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.64 3dxk s ASP 10 Cb -0.60 -0.66 0.26 0.00 1.01 0.00 0.00 42.92 42.92 3dxk s ASP 10 CO 0.40 0.17 0.85 -2.65 0.21 0.00 0.00 175.17 174.16 3dxk n PRO 11 N 0.72 0.11 0.00 8.23 -0.02 -1.26 -0.46 135.00 142.32 3dxk n PRO 11 Ca -0.14 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3dxk n PRO 11 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3dxk n PRO 11 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dxk n ASP 12 N -1.13 1.05 -4.74 2.55 5.75 -1.26 -5.05 116.55 113.71 3dxk n ASP 12 Ca 0.03 -1.33 -0.41 0.00 -0.01 0.00 0.00 54.79 53.07 3dxk n ASP 12 Cb 0.03 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 3dxk n ASP 12 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dxk s THR 13 N -0.33 2.95 0.36 2.12 2.01 0.39 -5.00 115.64 118.15 3dxk s THR 13 Ca 0.00 0.79 -0.14 0.00 0.31 0.00 0.00 61.69 62.65 3dxk s THR 13 Cb 0.00 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 3dxk s THR 13 CO 0.00 0.12 0.76 -0.54 -0.69 0.00 0.00 174.62 174.27 3dxk s LYS 14 N -0.20 3.95 0.09 4.92 -0.14 -1.26 -4.91 119.74 122.20 3dxk s LYS 14 Ca 0.58 0.65 0.09 0.00 -1.36 0.00 0.00 55.97 55.93 3dxk s LYS 14 Cb -0.39 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 3dxk s LYS 14 CO 0.40 0.08 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.37 3dxk s LEU 15 N -3.26 2.60 -0.35 3.17 1.43 -1.26 0.13 118.68 121.13 3dxk s LEU 15 Ca 0.54 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3dxk s LEU 15 Cb -0.10 -1.48 0.10 0.00 0.03 0.00 0.00 46.19 44.74 3dxk s LEU 15 CO 0.21 0.20 0.10 -0.51 0.23 0.00 0.00 176.35 176.58 3dxk s ILE 16 N -1.05 1.69 0.00 -0.59 1.10 -1.04 -4.80 121.20 116.51 3dxk s ILE 16 Ca 0.16 -2.06 0.00 0.00 -0.51 0.00 0.00 60.65 58.24 3dxk s ILE 16 Cb -0.10 -2.25 0.00 0.00 0.15 0.00 0.00 42.46 40.26 3dxk s ILE 16 CO 0.08 -0.67 0.00 0.61 -2.11 0.00 0.00 174.94 172.85 3dxk n GLY 17 N 4.35 0.57 0.28 1.50 0.00 -1.26 -2.69 105.19 107.94 3dxk n GLY 17 Ca 0.02 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.33 3dxk n GLY 17 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dxk n ASN 18 N 6.38 2.49 -4.92 1.61 6.94 -1.26 -4.98 115.26 121.52 3dxk n ASN 18 Ca 0.00 -2.26 -0.27 0.00 -0.02 0.00 0.00 54.58 52.03 3dxk n ASN 18 Cb 0.00 -0.18 0.05 0.00 -2.36 0.00 0.00 39.78 37.29 3dxk n ASN 18 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3dxk s MET 19 N -1.46 2.56 -0.21 -3.83 -1.94 -1.09 -4.56 119.30 108.77 3dxk s MET 19 Ca 0.15 -0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 54.01 3dxk s MET 19 Cb 0.11 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 3dxk s MET 19 CO 0.06 -1.01 0.06 0.00 -0.01 0.00 0.00 175.02 174.12 3dxk s ALA 20 N -3.17 3.28 -1.23 3.03 0.00 -1.07 -2.48 121.76 120.12 3dxk s ALA 20 Ca 0.57 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 3dxk s ALA 20 Cb -0.11 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.10 3dxk s ALA 20 CO 0.46 -0.09 1.70 -1.17 0.00 0.00 0.00 175.76 176.66 3dxk s LEU 21 N 0.87 3.70 0.18 0.00 2.96 0.34 -4.86 118.68 121.87 3dxk s LEU 21 Ca 0.03 -2.16 -0.24 0.00 -0.22 0.00 0.00 54.13 51.55 3dxk s LEU 21 Cb -0.14 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 3dxk s LEU 21 CO 0.02 -1.42 0.77 -0.76 -1.32 0.00 0.00 176.35 173.65 3dxk s LEU 22 N 5.03 4.54 0.79 -0.68 2.01 -1.26 -4.20 118.68 124.91 3dxk s LEU 22 Ca 0.54 1.61 -0.12 0.00 0.01 0.00 0.00 54.13 56.17 3dxk s LEU 22 Cb 0.03 -3.37 0.07 0.00 0.01 0.00 0.00 46.19 42.93 3dxk s LEU 22 CO 0.05 0.17 1.14 -2.84 1.01 0.00 0.00 176.35 175.88 3dxk s PRO 23 N -1.33 1.89 0.09 1.29 0.02 -1.26 -4.31 135.00 131.39 3dxk s PRO 23 Ca 0.37 1.47 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 3dxk s PRO 23 Cb -0.22 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.48 3dxk s PRO 23 CO 0.25 -1.97 0.26 0.96 -0.33 0.00 0.00 177.00 176.17 3dxk s ILE 24 N -2.52 0.12 -0.93 2.83 -4.36 -1.14 -4.28 121.20 110.92 3dxk s ILE 24 Ca 0.67 -0.95 -0.05 0.00 -0.26 0.00 0.00 60.65 60.05 3dxk s ILE 24 Cb -0.22 -1.23 0.23 0.00 1.25 0.00 0.00 42.46 42.49 3dxk s ILE 24 CO 0.52 -0.53 0.85 -0.60 0.24 0.00 0.00 174.94 175.42 3dxk s ARG 25 N -3.63 3.53 0.20 0.37 3.52 -1.26 -2.06 118.95 119.62 3dxk s ARG 25 Ca 0.03 -3.10 0.01 0.00 -0.13 0.00 0.00 55.73 52.53 3dxk s ARG 25 Cb 0.03 -4.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 3dxk s ARG 25 CO -0.10 -1.25 0.05 0.45 -0.81 0.00 0.00 175.30 173.64 3dxk s SER 26 N 0.63 1.04 -0.06 -2.12 0.15 -1.26 -5.05 113.70 107.02 3dxk s SER 26 Ca 0.26 -1.28 0.16 0.00 0.70 0.00 0.00 55.95 55.80 3dxk s SER 26 Cb -0.10 0.17 -0.25 0.00 -1.71 0.00 0.00 66.02 64.14 3dxk s SER 26 CO -0.10 -0.67 0.28 0.00 1.20 0.00 0.00 173.24 173.96 3dxk n GLN 27 N -0.32 0.78 -1.17 5.44 6.02 -1.26 -5.00 117.38 121.88 3dxk n GLN 27 Ca -0.03 -0.11 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 3dxk n GLN 27 Cb 0.65 -1.41 0.09 0.00 1.02 0.00 0.00 30.24 30.59 3dxk n GLN 27 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3dxk n PHE 28 N -2.25 -0.34 -3.05 1.08 3.01 -1.26 -4.95 117.46 109.70 3dxk n PHE 28 Ca -0.10 0.35 -0.33 0.00 1.01 0.00 0.00 57.45 58.37 3dxk n PHE 28 Cb 0.62 -1.95 -0.06 0.00 -0.01 0.00 0.00 39.48 38.08 3dxk n PHE 28 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3dxk s LYS 29 N -3.22 4.11 0.00 -1.08 1.02 -1.26 -5.02 119.74 114.29 3dxk s LYS 29 Ca 0.67 0.82 0.00 0.00 0.02 0.00 0.00 55.97 57.47 3dxk s LYS 29 Cb -0.32 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3dxk s LYS 29 CO 0.57 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.57 3dxk n GLY 30 N -0.21 2.53 0.00 -3.33 0.00 -1.26 -4.51 105.19 98.40 3dxk n GLY 30 Ca 0.03 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.03 3dxk n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dxk n PRO 31 N -1.14 0.77 -1.70 1.61 -0.04 -1.26 -4.87 135.00 128.37 3dxk n PRO 31 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 3dxk n PRO 31 Cb 0.00 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3dxk n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxk s ALA 32 N -2.00 3.75 1.14 0.55 0.00 -1.26 -4.95 121.76 119.00 3dxk s ALA 32 Ca 0.32 1.45 -0.18 0.00 0.00 0.00 0.00 51.96 53.55 3dxk s ALA 32 Cb 0.15 -3.77 0.17 0.00 0.00 0.00 0.00 23.12 19.67 3dxk s ALA 32 CO 0.25 -1.26 0.27 -2.30 0.00 0.00 0.00 175.76 172.72 3dxk n PRO 33 N 5.86 -2.29 -3.55 0.00 -0.02 -1.26 -4.75 135.00 128.99 3dxk n PRO 33 Ca 0.18 -0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 60.63 3dxk n PRO 33 Cb 0.38 -1.70 -0.07 0.00 -0.02 0.00 0.00 33.50 32.09 3dxk n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dxk s ARG 34 N -3.72 4.24 -0.10 -0.52 0.52 -1.26 -2.90 118.95 115.21 3dxk s ARG 34 Ca 0.53 0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 55.61 3dxk s ARG 34 Cb -0.11 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 3dxk s ARG 34 CO 0.56 0.22 0.49 -2.00 0.02 0.00 0.00 175.30 174.59 3dxk s GLU 35 N 0.53 4.33 -0.22 3.54 2.56 -0.87 -4.77 118.70 123.80 3dxk s GLU 35 Ca 0.16 0.49 -0.19 0.00 0.00 0.00 0.00 54.97 55.42 3dxk s GLU 35 Cb -0.13 -3.42 -0.18 0.00 2.00 0.00 0.00 34.13 32.40 3dxk s GLU 35 CO 0.03 0.19 0.09 0.25 -0.56 0.00 0.00 175.26 175.27 3dxk n THR 36 N 3.54 1.54 -0.63 -1.70 -2.24 -1.26 -4.75 114.28 108.78 3dxk n THR 36 Ca -0.07 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 3dxk n THR 36 Cb 0.52 -2.00 0.19 0.00 -2.10 0.00 0.00 70.33 66.94 3dxk n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dxk n LYS 37 N -4.36 -1.50 0.00 -0.78 5.02 -1.26 -4.92 118.16 110.35 3dxk n LYS 37 Ca -0.37 -0.41 0.10 0.00 -2.02 0.00 0.00 58.31 55.61 3dxk n LYS 37 Cb 0.74 -1.95 0.50 0.00 -0.02 0.00 0.00 35.03 34.29 3dxk n LYS 37 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3dxk n ASP 38 N -2.94 0.00 -3.74 4.39 3.85 -1.26 -4.79 116.55 112.07 3dxk n ASP 38 Ca 0.04 0.13 -0.12 0.00 -0.71 0.00 0.00 54.79 54.12 3dxk n ASP 38 Cb 0.57 -0.34 -0.11 0.00 -1.35 0.00 0.00 41.12 39.88 3dxk n ASP 38 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3dxk s THR 39 N -2.69 -0.01 0.33 2.12 2.01 -1.26 -5.12 115.64 111.02 3dxk s THR 39 Ca 0.17 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.29 3dxk s THR 39 Cb 0.14 -0.49 -0.07 0.00 0.01 0.00 0.00 72.50 72.09 3dxk s THR 39 CO 0.33 0.02 -0.02 1.51 -0.69 0.00 0.00 174.62 175.77 3dxk s ASP 40 N 0.72 3.14 0.29 3.53 1.47 -1.26 -5.02 116.67 119.53 3dxk s ASP 40 Ca -0.04 -1.28 0.08 0.00 1.18 0.00 0.00 52.55 52.49 3dxk s ASP 40 Cb -0.06 -0.24 0.45 0.00 -0.34 0.00 0.00 42.92 42.73 3dxk s ASP 40 CO -0.05 -0.40 1.09 0.00 0.68 0.00 0.00 175.17 176.49 3dxk n ILE 41 N -0.74 0.47 0.10 2.11 0.13 -1.26 -0.23 119.36 119.94 3dxk n ILE 41 Ca -0.05 0.72 0.07 0.00 -1.10 0.00 0.00 62.75 62.40 3dxk n ILE 41 Cb 0.65 -1.72 -0.01 0.00 -0.84 0.00 0.00 39.64 37.73 3dxk n ILE 41 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 3dxk h VAL 42 N 0.00 0.21 0.07 9.51 2.07 -1.95 -2.88 116.25 123.27 3dxk h VAL 42 Ca 0.00 -1.38 -0.16 0.00 0.82 0.00 0.00 66.70 65.98 3dxk h VAL 42 Cb 0.83 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3dxk h VAL 42 CO 0.00 0.12 -0.81 0.44 0.02 0.00 0.00 177.57 177.34 3dxk h ASP 43 N 0.00 0.23 -0.54 0.57 3.32 -1.01 -3.14 116.42 115.85 3dxk h ASP 43 Ca -0.05 -0.87 0.11 0.00 0.02 0.00 0.00 57.03 56.24 3dxk h ASP 43 Cb 1.20 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.59 3dxk h ASP 43 CO 0.02 1.35 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.79 3dxk h GLU 44 N -0.65 0.09 -0.48 3.56 4.81 -1.60 0.43 114.58 120.74 3dxk h GLU 44 Ca -0.18 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3dxk h GLU 44 Cb 1.43 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 3dxk h GLU 44 CO 0.02 0.06 0.13 0.00 -0.73 0.00 0.00 179.01 178.49 3dxk h ALA 45 N 1.49 1.33 0.08 2.92 0.00 -1.63 -1.54 119.26 121.91 3dxk h ALA 45 Ca 0.27 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 3dxk h ALA 45 Cb 0.42 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3dxk h ALA 45 CO -0.47 0.48 -1.15 0.82 0.00 0.00 0.00 179.25 178.93 3dxk h ILE 46 N 0.70 1.34 -0.95 0.00 2.04 -1.09 -0.48 117.51 119.08 3dxk h ILE 46 Ca 0.16 -2.52 0.01 0.00 1.00 0.00 0.00 64.86 63.50 3dxk h ILE 46 Cb 0.24 2.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 3dxk h ILE 46 CO -0.01 0.76 0.62 0.22 0.00 0.00 0.00 178.15 179.75 3dxk h TYR 47 N 0.25 1.20 0.01 1.37 3.20 0.00 -3.13 116.97 119.87 3dxk h TYR 47 Ca -0.15 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.49 3dxk h TYR 47 Cb 1.82 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.65 3dxk h TYR 47 CO 0.09 0.76 -1.40 1.88 -1.64 0.00 0.00 178.16 177.85 3dxk h TYR 48 N 1.28 0.04 -0.01 -3.82 0.05 -1.28 -3.42 116.97 109.81 3dxk h TYR 48 Ca 0.35 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.09 3dxk h TYR 48 Cb -0.14 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.60 3dxk h TYR 48 CO -0.00 1.04 -0.01 0.34 -1.05 0.00 0.00 178.16 178.48 3dxk n PHE 49 N -3.21 -0.00 -0.44 4.88 7.35 -0.19 -0.55 117.46 125.29 3dxk n PHE 49 Ca -0.10 0.01 0.39 0.00 -0.76 0.00 0.00 57.45 56.99 3dxk n PHE 49 Cb 1.00 -0.21 0.66 0.00 0.35 0.00 0.00 39.48 41.28 3dxk n PHE 49 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3dxk h LYS 50 N 0.00 0.01 0.00 -4.13 1.57 -1.82 0.13 116.57 112.33 3dxk h LYS 50 Ca 0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3dxk h LYS 50 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3dxk h LYS 50 CO -0.01 0.01 -0.80 0.00 -0.57 0.00 0.00 179.45 178.07 3dxk h ALA 51 N 1.69 0.15 -0.84 3.86 0.00 -1.14 -3.39 119.26 119.58 3dxk h ALA 51 Ca 0.88 -0.86 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3dxk h ALA 51 Cb 2.71 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 20.94 3dxk h ALA 51 CO -0.53 0.50 0.47 -0.91 0.00 0.00 0.00 179.25 178.77 3dxk h ASN 52 N -1.00 0.63 -1.23 0.00 2.35 -0.24 -2.78 115.58 113.32 3dxk h ASN 52 Ca -0.19 0.06 0.35 0.00 -0.55 0.00 0.00 56.30 55.97 3dxk h ASN 52 Cb 1.00 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.26 3dxk h ASN 52 CO -0.12 0.33 0.87 1.62 -1.65 0.00 0.00 177.43 178.48 3dxk h VAL 53 N 0.74 0.38 0.00 2.81 3.04 -0.99 0.78 116.25 123.00 3dxk h VAL 53 Ca 0.43 -0.02 -0.04 0.00 -1.01 0.00 0.00 66.70 66.06 3dxk h VAL 53 Cb 0.48 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 3dxk h VAL 53 CO -0.29 0.01 -0.18 -0.26 -1.01 0.00 0.00 177.57 175.85 3dxk h PHE 54 N 0.06 0.00 -4.01 3.17 -1.00 -1.72 -3.29 116.94 110.15 3dxk h PHE 54 Ca 0.61 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.87 3dxk h PHE 54 Cb 2.27 0.00 0.08 0.00 3.61 0.00 0.00 35.95 41.91 3dxk h PHE 54 CO -0.00 0.18 0.51 -0.06 -1.61 0.00 0.00 178.31 177.32 3dxk s PHE 55 N -3.51 2.77 -0.04 -0.55 0.40 0.26 -4.94 117.98 112.38 3dxk s PHE 55 Ca 0.02 1.51 0.14 0.00 -0.60 0.00 0.00 56.93 58.00 3dxk s PHE 55 Cb 0.09 -3.45 -0.21 0.00 0.51 0.00 0.00 43.02 39.96 3dxk s PHE 55 CO 0.63 -1.76 0.27 1.63 0.70 0.00 0.00 175.22 176.69 3dxk n LYS 56 N -0.60 0.66 -4.53 0.44 4.01 -1.26 -1.83 118.16 115.05 3dxk n LYS 56 Ca 0.08 -0.11 -0.24 0.00 -0.51 0.00 0.00 58.31 57.53 3dxk n LYS 56 Cb 0.48 -1.33 -0.16 0.00 -0.51 0.00 0.00 35.03 33.50 3dxk n LYS 56 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3dxk s ASN 57 N -3.78 1.63 -0.08 4.39 0.01 -1.26 -4.46 114.94 111.38 3dxk s ASN 57 Ca -0.05 -0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 51.82 3dxk s ASN 57 Cb 0.08 -0.69 0.03 0.00 0.41 0.00 0.00 41.25 41.08 3dxk s ASN 57 CO 0.58 0.04 -0.03 -0.47 -1.51 0.00 0.00 177.10 175.71 3dxk s TYR 58 N 0.57 0.95 -0.22 2.20 5.04 -1.26 -4.75 117.35 119.87 3dxk s TYR 58 Ca -0.12 -0.36 -0.20 0.00 -2.44 0.00 0.00 57.07 53.95 3dxk s TYR 58 Cb -0.14 -0.94 -0.03 0.00 0.35 0.00 0.00 41.96 41.20 3dxk s TYR 58 CO 0.03 -0.39 0.59 -2.00 -1.34 0.00 0.00 175.55 172.44 3dxk s GLU 59 N 1.85 4.17 -0.50 4.97 2.12 -1.26 -5.02 118.70 125.03 3dxk s GLU 59 Ca 0.04 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3dxk s GLU 59 Cb -0.12 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.69 3dxk s GLU 59 CO -0.06 -0.27 1.23 0.42 -0.54 0.00 0.00 175.26 176.03 3dxk s ILE 60 N 2.04 4.06 -0.03 -3.70 1.01 -1.26 -4.89 121.20 118.43 3dxk s ILE 60 Ca 0.26 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 3dxk s ILE 60 Cb -0.16 -4.56 -0.26 0.00 0.01 0.00 0.00 42.46 37.50 3dxk s ILE 60 CO 0.10 -1.08 0.74 0.11 0.00 0.00 0.00 174.94 174.81 3dxk h LYS 61 N 9.75 0.19 -3.99 2.79 1.57 -1.98 -3.49 116.57 121.41 3dxk h LYS 61 Ca -0.25 -0.33 -0.23 0.00 -1.87 0.00 0.00 60.65 57.97 3dxk h LYS 61 Cb 1.07 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.43 3dxk h LYS 61 CO 1.14 1.00 -0.16 0.54 -0.57 0.00 0.00 179.45 181.41 3dxk s ASN 62 N -6.80 0.71 0.46 0.86 2.20 -1.26 -5.05 114.94 106.06 3dxk s ASN 62 Ca -0.10 -1.39 0.31 0.00 -0.94 0.00 0.00 52.86 50.73 3dxk s ASN 62 Cb 0.07 0.66 1.31 0.00 -2.00 0.00 0.00 41.25 41.30 3dxk s ASN 62 CO 0.83 -1.30 1.92 1.05 -2.94 0.00 0.00 177.10 176.65 3dxk h GLU 63 N 2.13 0.00 -0.08 3.55 9.09 -1.94 -2.91 114.58 124.42 3dxk h GLU 63 Ca -0.28 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.02 3dxk h GLU 63 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3dxk h GLU 63 CO 0.39 0.00 -0.42 0.00 0.05 0.00 0.00 179.01 179.03 3dxk h ALA 64 N 2.08 1.15 -0.86 1.06 0.00 -1.91 -2.68 119.26 118.10 3dxk h ALA 64 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3dxk h ALA 64 Cb 0.42 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3dxk h ALA 64 CO 0.00 0.58 0.50 -0.44 0.00 0.00 0.00 179.25 179.88 3dxk h ASP 65 N 0.15 1.05 0.23 0.00 3.32 -1.85 0.28 116.42 119.60 3dxk h ASP 65 Ca 0.01 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3dxk h ASP 65 Cb 0.80 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3dxk h ASP 65 CO 0.06 0.82 -0.11 0.03 -1.72 0.00 0.00 179.24 178.32 3dxk h ARG 66 N 1.19 0.00 0.16 3.56 3.08 -1.62 0.59 114.38 121.35 3dxk h ARG 66 Ca 0.31 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.14 3dxk h ARG 66 Cb -0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.06 3dxk h ARG 66 CO -0.05 0.11 -0.97 1.15 -1.07 0.00 0.00 179.97 179.14 3dxk h THR 67 N 0.00 1.45 -0.03 2.04 2.02 -0.98 -2.73 112.91 114.68 3dxk h THR 67 Ca -0.00 -2.56 0.03 0.00 0.77 0.00 0.00 66.41 64.65 3dxk h THR 67 Cb 0.25 3.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 3dxk h THR 67 CO 0.01 0.73 -0.15 0.25 0.37 0.00 0.00 175.52 176.74 3dxk h LEU 68 N -0.28 -0.43 -0.43 2.58 5.85 0.31 -1.44 115.31 121.48 3dxk h LEU 68 Ca -0.17 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3dxk h LEU 68 Cb 1.74 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.88 3dxk h LEU 68 CO 0.17 -0.20 -0.12 0.40 -0.34 0.00 0.00 178.44 178.35 3dxk h ILE 69 N -0.23 0.55 -0.17 4.05 2.04 0.07 0.17 117.51 124.01 3dxk h ILE 69 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3dxk h ILE 69 Cb 0.31 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3dxk h ILE 69 CO -0.16 0.00 0.04 0.22 0.00 0.00 0.00 178.15 178.24 3dxk h TYR 70 N -0.01 0.06 -0.94 1.37 3.20 -1.18 0.86 116.97 120.34 3dxk h TYR 70 Ca 0.21 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3dxk h TYR 70 Cb 0.33 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3dxk h TYR 70 CO -0.38 0.02 0.57 0.82 -1.64 0.00 0.00 178.16 177.55 3dxk h ILE 71 N 0.11 1.26 0.24 1.81 2.04 -0.57 -1.09 117.51 121.31 3dxk h ILE 71 Ca 0.07 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3dxk h ILE 71 Cb 0.06 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3dxk h ILE 71 CO -0.09 0.27 -0.12 0.74 0.00 0.00 0.00 178.15 178.95 3dxk h THR 72 N 1.30 0.79 -0.66 -0.27 2.02 0.03 -0.08 112.91 116.04 3dxk h THR 72 Ca 0.34 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.42 3dxk h THR 72 Cb -0.06 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3dxk h THR 72 CO -0.06 0.04 0.44 -0.07 0.37 0.00 0.00 175.52 176.24 3dxk h LEU 73 N -0.42 0.46 -0.42 2.58 3.38 -0.61 -1.36 115.31 118.91 3dxk h LEU 73 Ca -0.03 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3dxk h LEU 73 Cb 0.32 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dxk h LEU 73 CO 0.05 0.27 -0.69 0.22 0.09 0.00 0.00 178.44 178.38 3dxk h TYR 74 N 0.51 0.59 -0.95 1.13 3.20 -0.71 -2.97 116.97 117.78 3dxk h TYR 74 Ca 0.31 -0.25 0.11 0.00 3.14 0.00 0.00 58.73 62.03 3dxk h TYR 74 Cb 0.52 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 3dxk h TYR 74 CO -0.00 1.00 0.58 0.82 -1.64 0.00 0.00 178.16 178.92 3dxk h ILE 75 N 0.31 0.93 -0.47 1.81 2.04 0.14 0.51 117.51 122.79 3dxk h ILE 75 Ca -0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3dxk h ILE 75 Cb 1.26 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3dxk h ILE 75 CO 0.12 0.17 0.24 0.28 0.00 0.00 0.00 178.15 178.96 3dxk h SER 76 N 0.94 0.58 -0.25 1.72 0.02 -1.37 -1.13 113.55 114.07 3dxk h SER 76 Ca 0.46 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 3dxk h SER 76 Cb 0.42 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3dxk h SER 76 CO -0.25 0.48 0.06 -0.33 -1.14 0.00 0.00 176.83 175.64 3dxk h GLU 77 N 0.65 0.40 -0.98 3.45 4.39 0.04 -1.77 114.58 120.77 3dxk h GLU 77 Ca 0.17 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.80 3dxk h GLU 77 Cb 0.05 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 3dxk h GLU 77 CO -0.03 0.51 0.64 0.00 -1.16 0.00 0.00 179.01 178.98 3dxk h LEU 79 N 1.24 0.00 -0.50 0.00 3.38 -0.92 0.26 115.31 118.77 3dxk h LEU 79 Ca 0.39 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.39 3dxk h LEU 79 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3dxk h LEU 79 CO -0.12 0.34 0.29 0.11 0.09 0.00 0.00 178.44 179.15 3dxk h LYS 80 N 0.00 0.56 0.04 1.13 6.56 -0.33 -1.72 116.57 122.81 3dxk h LYS 80 Ca -0.00 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3dxk h LYS 80 Cb 0.64 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 3dxk h LYS 80 CO 0.04 0.37 -0.02 0.87 -2.06 0.00 0.00 179.45 178.66 3dxk h LYS 81 N 0.58 -0.05 -0.18 3.15 6.56 -1.33 -3.33 116.57 121.97 3dxk h LYS 81 Ca 0.20 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.85 3dxk h LYS 81 Cb 0.03 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 3dxk h LYS 81 CO -0.10 -0.04 0.95 1.25 -2.06 0.00 0.00 179.45 179.46 3dxk h LEU 82 N -0.47 0.00 -0.24 2.94 5.85 -0.56 0.19 115.31 123.02 3dxk h LEU 82 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3dxk h LEU 82 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3dxk h LEU 82 CO 0.01 0.00 0.15 -0.61 -0.34 0.00 0.00 178.44 177.65 3dxk h GLN 83 N 0.00 0.32 -3.57 1.25 4.15 -1.41 -3.35 115.11 112.50 3dxk h GLN 83 Ca 0.08 -0.03 -0.76 0.00 0.77 0.00 0.00 58.65 58.72 3dxk h GLN 83 Cb 1.99 -0.07 -0.30 0.00 0.21 0.00 0.00 27.48 29.31 3dxk h GLN 83 CO -0.00 0.24 0.13 0.15 -1.93 0.00 0.00 178.83 177.42 3dxk s LYS 84 N -6.06 3.64 -0.05 1.69 -0.14 0.68 -4.96 119.74 114.54 3dxk s LYS 84 Ca -0.13 -2.96 -0.30 0.00 -1.36 0.00 0.00 55.97 51.22 3dxk s LYS 84 Cb 0.09 -4.28 0.08 0.00 -1.68 0.00 0.00 37.83 32.04 3dxk s LYS 84 CO 0.70 -1.25 0.73 0.00 -0.76 0.00 0.00 175.35 174.77 3dxk n ASN 86 N 0.71 4.25 0.00 0.00 4.13 -1.26 -4.74 115.26 118.34 3dxk n ASN 86 Ca -0.17 -3.64 0.00 0.00 1.68 0.00 0.00 54.58 52.45 3dxk n ASN 86 Cb 0.58 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3dxk n ASN 86 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dxk n SER 87 N -0.23 0.00 0.00 6.41 3.41 -1.26 -4.41 113.62 117.54 3dxk n SER 87 Ca 0.31 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3dxk n SER 87 Cb 0.43 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.85 3dxk n SER 87 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3dxk n LYS 88 N -0.84 0.24 -0.11 4.33 4.81 -1.26 -1.94 118.16 123.38 3dxk n LYS 88 Ca 0.00 0.11 -0.25 0.00 -0.87 0.00 0.00 58.31 57.30 3dxk n LYS 88 Cb 0.00 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.44 3dxk n LYS 88 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3dxk n SER 89 N -1.31 1.93 -0.02 3.14 3.41 -1.26 -3.82 113.62 115.68 3dxk n SER 89 Ca 0.08 0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3dxk n SER 89 Cb 0.16 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 3dxk n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3dxk h GLN 90 N -0.88 0.07 -0.99 4.33 4.15 -1.88 -1.68 115.11 118.23 3dxk h GLN 90 Ca -0.52 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.05 3dxk h GLN 90 Cb 1.52 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 29.10 3dxk h GLN 90 CO -0.28 0.04 0.62 0.78 -1.93 0.00 0.00 178.83 178.06 3dxk h GLY 91 N 0.07 1.61 0.79 2.39 0.00 -1.60 0.99 103.07 107.32 3dxk h GLY 91 Ca 0.07 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.12 3dxk h GLY 91 CO -0.11 0.05 0.56 0.83 0.00 0.00 0.00 176.54 177.87 3dxk h GLU 92 N 0.82 0.85 0.17 4.80 5.08 -1.41 -1.84 114.58 123.06 3dxk h GLU 92 Ca 0.53 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 3dxk h GLU 92 Cb 0.74 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3dxk h GLU 92 CO -0.30 0.56 -0.08 0.87 -1.00 0.00 0.00 179.01 179.06 3dxk h LYS 93 N 0.88 -0.22 -0.83 2.33 1.79 -0.64 -2.80 116.57 117.07 3dxk h LYS 93 Ca 0.39 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 59.07 3dxk h LYS 93 Cb 0.36 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 3dxk h LYS 93 CO -0.16 0.20 0.56 0.93 -1.08 0.00 0.00 179.45 179.90 3dxk h GLU 94 N -0.78 0.29 -0.05 3.15 3.07 -1.21 0.52 114.58 119.58 3dxk h GLU 94 Ca -0.02 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3dxk h GLU 94 Cb 0.52 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3dxk h GLU 94 CO 0.04 0.20 -0.44 1.98 -1.40 0.00 0.00 179.01 179.39 3dxk h MET 95 N 0.30 0.10 0.47 2.33 4.05 -1.31 0.49 114.93 121.36 3dxk h MET 95 Ca 0.42 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.76 3dxk h MET 95 Cb 1.16 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3dxk h MET 95 CO -0.12 0.52 -0.22 -0.92 0.23 0.00 0.00 176.91 176.40 3dxk h TYR 96 N 0.09 -0.58 -0.25 1.39 3.20 0.27 -2.13 116.97 118.95 3dxk h TYR 96 Ca 0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3dxk h TYR 96 Cb 0.81 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 3dxk h TYR 96 CO 0.01 -0.29 -0.25 1.15 -1.64 0.00 0.00 178.16 177.14 3dxk h THR 97 N -1.08 0.38 -0.62 1.81 2.02 -1.25 -1.20 112.91 112.98 3dxk h THR 97 Ca -0.06 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.24 3dxk h THR 97 Cb 0.55 0.38 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 3dxk h THR 97 CO 0.11 0.00 0.04 0.25 0.37 0.00 0.00 175.52 176.29 3dxk h LEU 98 N -0.25 -0.19 -1.66 2.58 7.12 -0.97 -1.05 115.31 120.90 3dxk h LEU 98 Ca 0.14 0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 3dxk h LEU 98 Cb 0.46 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 3dxk h LEU 98 CO -0.40 -0.08 -0.20 1.23 -0.13 0.00 0.00 178.44 178.87 3dxk h GLY 99 N 0.16 0.00 1.52 3.75 0.00 -0.54 -2.82 103.07 105.15 3dxk h GLY 99 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 3dxk h GLY 99 CO -0.49 0.00 -1.21 -2.22 0.00 0.00 0.00 176.54 172.62 3dxk h ILE 100 N 0.00 1.12 -2.89 2.60 1.08 -0.45 -3.44 117.51 115.53 3dxk h ILE 100 Ca -0.00 -2.79 -0.54 0.00 -0.39 0.00 0.00 64.86 61.14 3dxk h ILE 100 Cb 0.42 2.52 0.07 0.00 -3.07 0.00 0.00 36.82 36.76 3dxk h ILE 100 CO 0.03 0.64 0.87 0.35 -0.69 0.00 0.00 178.15 179.34 3dxk n THR 101 N -3.16 0.61 -2.38 -0.27 -2.24 -0.52 -4.89 114.28 101.42 3dxk n THR 101 Ca -0.06 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 3dxk n THR 101 Cb 0.93 -1.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 3dxk n THR 101 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dxk s ASN 102 N 0.70 6.50 0.36 3.42 3.84 -1.26 -5.00 114.94 123.51 3dxk s ASN 102 Ca 0.69 1.03 -0.01 0.00 0.21 0.00 0.00 52.86 54.78 3dxk s ASN 102 Cb -0.54 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 37.58 3dxk s ASN 102 CO 0.43 -1.26 0.58 -0.36 -2.79 0.00 0.00 177.10 173.71 3dxk s PHE 103 N 4.90 3.51 0.40 0.43 0.40 -1.26 -5.05 117.98 121.30 3dxk s PHE 103 Ca 0.59 0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 57.09 3dxk s PHE 103 Cb -0.15 -1.97 -0.09 0.00 0.51 0.00 0.00 43.02 41.31 3dxk s PHE 103 CO 0.28 0.07 1.38 -1.25 0.70 0.00 0.00 175.22 176.40 3dxk s PRO 104 N -4.31 4.00 0.44 0.24 0.04 -1.26 -5.03 135.00 129.11 3dxk s PRO 104 Ca 0.41 2.34 0.06 0.00 0.04 0.00 0.00 61.00 63.86 3dxk s PRO 104 Cb -0.10 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3dxk s PRO 104 CO 0.37 -0.54 0.17 0.96 0.04 0.00 0.00 177.00 178.00 3dxk s ILE 105 N -1.19 2.08 0.41 0.56 -4.36 -1.26 -4.86 121.20 112.58 3dxk s ILE 105 Ca 0.56 -1.74 -0.25 0.00 -0.26 0.00 0.00 60.65 58.96 3dxk s ILE 105 Cb -0.42 -2.82 -0.11 0.00 1.25 0.00 0.00 42.46 40.37 3dxk s ILE 105 CO 0.55 0.00 1.08 -2.65 0.24 0.00 0.00 174.94 174.16 3dxk n PRO 106 N -1.27 1.50 0.00 0.37 -0.02 -1.26 -2.28 135.00 132.04 3dxk n PRO 106 Ca -0.04 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3dxk n PRO 106 Cb 0.65 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3dxk n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxk n GLY 107 N 1.08 2.89 3.86 -1.23 0.00 -1.26 -4.57 105.19 105.96 3dxk n GLY 107 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3dxk n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxk s GLU 108 N -0.06 3.92 -0.03 1.61 2.02 -0.97 -5.02 118.70 120.17 3dxk s GLU 108 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 54.97 55.31 3dxk s GLU 108 Cb 0.00 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 3dxk s GLU 108 CO 0.00 0.05 1.25 -2.14 0.02 0.00 0.00 175.26 174.44 3dxk s PRO 109 N -3.39 4.34 0.00 0.39 0.02 -1.26 -3.05 135.00 132.05 3dxk s PRO 109 Ca 0.54 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3dxk s PRO 109 Cb -0.10 -3.54 0.00 0.00 0.02 0.00 0.00 34.50 30.88 3dxk s PRO 109 CO 0.23 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 3dxk n GLY 110 N 3.42 1.15 3.17 0.52 0.00 -1.26 -5.02 105.19 107.16 3dxk n GLY 110 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3dxk n GLY 110 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dxk s PHE 111 N -2.00 3.38 0.89 1.61 5.36 -1.17 -4.43 117.98 121.61 3dxk s PHE 111 Ca 0.00 -1.98 -0.11 0.00 -0.96 0.00 0.00 56.93 53.88 3dxk s PHE 111 Cb 0.00 -2.54 0.13 0.00 -0.34 0.00 0.00 43.02 40.27 3dxk s PHE 111 CO 0.00 -0.85 1.16 -1.25 -1.46 0.00 0.00 175.22 172.82 3dxk s PRO 112 N 1.24 1.18 -1.09 10.12 0.04 -1.26 -3.24 135.00 141.98 3dxk s PRO 112 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3dxk s PRO 112 Cb -0.21 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3dxk s PRO 112 CO -0.01 -2.52 0.00 1.28 0.04 0.00 0.00 177.00 175.78 3dxk n LEU 113 N -4.02 -0.90 0.23 -3.56 4.77 -1.26 -4.87 117.00 107.39 3dxk n LEU 113 Ca 0.12 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.46 3dxk n LEU 113 Cb 0.52 -1.71 0.74 0.00 -2.33 0.00 0.00 43.42 40.64 3dxk n LEU 113 CO 0.49 -0.48 0.95 0.78 -1.33 0.00 0.00 177.39 177.80 3dxk h ASN 114 N 0.00 0.00 0.52 -1.43 2.35 -1.87 0.37 115.58 115.52 3dxk h ASN 114 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3dxk h ASN 114 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3dxk h ASN 114 CO 0.32 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.92 3dxk n ALA 115 N -1.83 2.85 -0.05 -0.83 0.00 -1.26 -4.09 120.51 115.29 3dxk n ALA 115 Ca -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 3dxk n ALA 115 Cb 0.13 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 3dxk n ALA 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dxk n ILE 116 N -1.17 0.61 -3.14 0.00 5.41 0.13 -4.99 119.36 116.21 3dxk n ILE 116 Ca 0.11 -0.28 -0.39 0.00 1.00 0.00 0.00 62.75 63.18 3dxk n ILE 116 Cb 0.31 -0.84 -0.05 0.00 -0.71 0.00 0.00 39.64 38.34 3dxk n ILE 116 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3dxk s TYR 117 N -2.21 3.47 0.40 1.39 1.51 -0.86 -5.03 117.35 116.01 3dxk s TYR 117 Ca -0.11 1.03 -0.26 0.00 -1.01 0.00 0.00 57.07 56.72 3dxk s TYR 117 Cb 0.03 -2.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.05 3dxk s TYR 117 CO 0.29 -0.01 1.26 0.00 -1.11 0.00 0.00 175.55 175.98 3dxk s ALA 118 N 1.24 3.24 0.22 3.71 0.00 -1.26 -4.71 121.76 124.21 3dxk s ALA 118 Ca 0.31 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 3dxk s ALA 118 Cb -0.16 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 3dxk s ALA 118 CO 0.13 -0.72 0.59 0.21 0.00 0.00 0.00 175.76 175.96 3dxk s LYS 119 N -2.21 3.90 -0.08 0.00 2.20 -1.26 -4.56 119.74 117.73 3dxk s LYS 119 Ca 0.56 0.42 -0.32 0.00 -0.36 0.00 0.00 55.97 56.28 3dxk s LYS 119 Cb -0.36 -2.69 -0.10 0.00 -1.51 0.00 0.00 37.83 33.17 3dxk s LYS 119 CO 0.46 0.33 2.00 -0.35 -0.36 0.00 0.00 175.35 177.43 3dxk n PRO 120 N 0.11 2.36 0.00 4.03 -0.04 -1.26 -4.85 135.00 135.34 3dxk n PRO 120 Ca -0.01 0.83 0.05 0.00 -0.04 0.00 0.00 63.50 64.33 3dxk n PRO 120 Cb 0.52 -2.88 0.23 0.00 -0.04 0.00 0.00 33.50 31.33 3dxk n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxk n ALA 121 N 8.05 1.53 -3.62 0.55 0.00 -1.26 -4.84 120.51 120.91 3dxk n ALA 121 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 3dxk n ALA 121 Cb 0.36 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3dxk n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dxk s ASN 122 N -2.84 -0.13 0.57 0.00 2.20 -1.26 -5.04 114.94 108.44 3dxk s ASN 122 Ca 0.07 -0.13 0.28 0.00 -0.94 0.00 0.00 52.86 52.13 3dxk s ASN 122 Cb 0.07 0.24 1.51 0.00 -2.00 0.00 0.00 41.25 41.06 3dxk s ASN 122 CO 0.17 -0.42 1.98 0.50 -2.94 0.00 0.00 177.10 176.39 3dxk h LYS 123 N 2.00 0.00 0.10 3.55 1.63 -1.98 0.16 116.57 122.03 3dxk h LYS 123 Ca -0.23 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 3dxk h LYS 123 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3dxk h LYS 123 CO 0.27 0.00 -0.05 0.37 -3.45 0.00 0.00 179.45 176.59 3dxk h GLN 124 N 0.00 -0.14 -0.93 1.90 4.15 -1.98 -1.55 115.11 116.57 3dxk h GLN 124 Ca 0.19 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.85 3dxk h GLN 124 Cb 0.95 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 3dxk h GLN 124 CO -0.00 0.23 0.62 1.49 -1.93 0.00 0.00 178.83 179.24 3dxk h GLU 125 N -0.98 0.32 0.15 1.69 4.81 -1.83 0.17 114.58 118.91 3dxk h GLU 125 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3dxk h GLU 125 Cb 0.43 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3dxk h GLU 125 CO 0.02 0.21 -0.07 0.22 -0.73 0.00 0.00 179.01 178.66 3dxk h ASP 126 N 0.33 -0.17 -0.17 1.04 3.58 -0.66 -1.06 116.42 119.30 3dxk h ASP 126 Ca 0.48 -0.23 -0.11 0.00 0.42 0.00 0.00 57.03 57.59 3dxk h ASP 126 Cb 1.33 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 3dxk h ASP 126 CO -0.16 0.14 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.74 3dxk h GLU 127 N -0.50 0.65 0.58 0.28 5.08 -0.04 -1.54 114.58 119.09 3dxk h GLU 127 Ca -0.02 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3dxk h GLU 127 Cb 0.39 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3dxk h GLU 127 CO 0.03 0.85 -0.28 0.28 -1.00 0.00 0.00 179.01 178.90 3dxk h VAL 128 N 0.56 0.39 -0.73 3.13 2.07 -0.76 -1.56 116.25 119.35 3dxk h VAL 128 Ca 0.07 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.51 3dxk h VAL 128 Cb 0.76 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3dxk h VAL 128 CO 0.06 0.02 0.39 -0.03 0.02 0.00 0.00 177.57 178.03 3dxk h MET 129 N -0.89 0.64 -0.54 1.57 1.85 -1.16 0.24 114.93 116.64 3dxk h MET 129 Ca -0.08 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3dxk h MET 129 Cb 0.64 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 3dxk h MET 129 CO 0.13 0.42 0.36 0.00 -0.40 0.00 0.00 176.91 177.42 3dxk h ARG 130 N 0.66 0.55 -0.04 0.39 3.08 -1.16 -1.31 114.38 116.55 3dxk h ARG 130 Ca 0.35 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 3dxk h ARG 130 Cb 0.34 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3dxk h ARG 130 CO -0.25 0.36 -0.07 0.00 -1.07 0.00 0.00 179.97 178.94 3dxk h ALA 131 N 1.70 0.06 -0.99 0.04 0.00 0.39 -1.75 119.26 118.71 3dxk h ALA 131 Ca 0.23 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3dxk h ALA 131 Cb 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3dxk h ALA 131 CO -0.06 -0.10 0.64 -0.92 0.00 0.00 0.00 179.25 178.81 3dxk h TYR 132 N -0.38 1.20 -0.21 0.00 3.20 -0.36 -0.61 116.97 119.81 3dxk h TYR 132 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3dxk h TYR 132 Cb 0.63 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3dxk h TYR 132 CO 0.11 0.66 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.73 3dxk h LEU 133 N 1.21 0.61 -0.74 2.82 4.07 -1.27 -0.62 115.31 121.39 3dxk h LEU 133 Ca 0.41 -0.31 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 3dxk h LEU 133 Cb 0.06 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 3dxk h LEU 133 CO -0.14 1.00 -0.41 -0.61 -1.08 0.00 0.00 178.44 177.20 3dxk h GLN 134 N 0.44 0.47 -0.23 1.13 4.15 -0.62 0.16 115.11 120.61 3dxk h GLN 134 Ca 0.02 -0.24 -0.12 0.00 0.77 0.00 0.00 58.65 59.08 3dxk h GLN 134 Cb 1.02 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 3dxk h GLN 134 CO 0.09 0.80 -0.33 0.37 -1.93 0.00 0.00 178.83 177.84 3dxk h GLN 135 N 0.39 0.63 -0.52 1.69 4.15 -1.00 -1.46 115.11 119.00 3dxk h GLN 135 Ca 0.03 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 3dxk h GLN 135 Cb 0.89 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3dxk h GLN 135 CO 0.08 0.98 0.23 -0.07 -1.93 0.00 0.00 178.83 178.11 3dxk h LEU 136 N 0.33 0.69 -1.50 -2.39 3.38 -0.93 -1.89 115.31 113.00 3dxk h LEU 136 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dxk h LEU 136 Cb 0.91 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dxk h LEU 136 CO 0.08 0.65 0.28 0.03 0.09 0.00 0.00 178.44 179.56 3dxk h ARG 137 N 0.69 0.61 0.05 1.13 3.08 -0.56 -1.61 114.38 117.76 3dxk h ARG 137 Ca 0.17 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3dxk h ARG 137 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3dxk h ARG 137 CO -0.02 0.43 -0.02 1.96 -1.07 0.00 0.00 179.97 181.25 3dxk h GLN 138 N 0.63 -0.06 -0.80 0.04 4.20 -0.78 -2.41 115.11 115.91 3dxk h GLN 138 Ca 0.17 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3dxk h GLN 138 Cb -0.03 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3dxk h GLN 138 CO -0.03 0.56 0.50 1.49 -0.67 0.00 0.00 178.83 180.68 3dxk h GLU 139 N -0.78 0.93 -0.52 1.46 4.57 -1.33 -1.83 114.58 117.09 3dxk h GLU 139 Ca -0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3dxk h GLU 139 Cb 0.65 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 3dxk h GLU 139 CO 0.01 0.61 0.32 1.15 -1.18 0.00 0.00 179.01 179.92 3dxk h THR 140 N 0.96 1.14 0.08 0.32 2.02 -1.35 -1.25 112.91 114.82 3dxk h THR 140 Ca 0.34 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3dxk h THR 140 Cb 0.08 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3dxk h THR 140 CO -0.14 0.15 -0.04 1.23 0.37 0.00 0.00 175.52 177.09 3dxk h GLY 141 N 0.73 -0.11 2.00 2.16 0.00 -0.81 -2.45 103.07 104.60 3dxk h GLY 141 Ca 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3dxk h GLY 141 CO -0.04 -0.04 -0.26 0.17 0.00 0.00 0.00 176.54 176.38 3dxk h LEU 142 N -0.83 0.00 -0.64 3.11 -0.00 -1.44 -1.54 115.31 113.97 3dxk h LEU 142 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 3dxk h LEU 142 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 3dxk h LEU 142 CO 0.02 0.26 -0.67 0.03 -0.00 0.00 0.00 178.44 178.07 3dxk h ARG 143 N 0.00 0.04 0.00 0.17 3.08 -1.31 -3.13 114.38 113.24 3dxk h ARG 143 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dxk h ARG 143 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3dxk h ARG 143 CO 0.03 0.70 0.00 1.25 -1.07 0.00 0.00 179.97 180.88 3dxk h LEU 144 N 0.03 0.00 -0.27 3.04 6.46 -0.78 -3.24 115.31 120.55 3dxk h LEU 144 Ca -0.01 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 3dxk h LEU 144 Cb 1.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3dxk h LEU 144 CO 0.09 0.00 -0.88 0.00 -0.62 0.00 0.00 178.44 177.03 3dxk n GLU 146 N -3.70 0.11 -0.09 0.00 0.28 -1.22 -2.43 120.64 113.59 3dxk n GLU 146 Ca -0.05 0.18 -0.16 0.00 -0.16 0.00 0.00 57.16 56.97 3dxk n GLU 146 Cb 0.80 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 32.12 3dxk n GLU 146 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dxk n LYS 147 N -1.40 0.45 0.04 3.44 4.76 -1.17 -4.63 118.16 119.64 3dxk n LYS 147 Ca 0.06 0.19 0.12 0.00 -2.87 0.00 0.00 58.31 55.81 3dxk n LYS 147 Cb 0.17 -1.26 0.58 0.00 -1.84 0.00 0.00 35.03 32.68 3dxk n LYS 147 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dxk h VAL 148 N -0.79 0.90 -3.20 -0.18 2.07 -1.39 -3.42 116.25 110.24 3dxk h VAL 148 Ca -0.31 -0.07 -0.61 0.00 0.82 0.00 0.00 66.70 66.54 3dxk h VAL 148 Cb 1.18 0.68 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 3dxk h VAL 148 CO -0.19 0.04 -0.47 -0.36 0.02 0.00 0.00 177.57 176.61 3dxk s PHE 149 N -5.21 3.44 0.22 1.57 0.40 -1.02 -1.18 117.98 116.20 3dxk s PHE 149 Ca -0.06 0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.44 3dxk s PHE 149 Cb 0.19 -2.16 -0.08 0.00 0.51 0.00 0.00 43.02 41.48 3dxk s PHE 149 CO 0.72 0.34 0.75 0.34 0.70 0.00 0.00 175.22 178.07 3dxk s ASP 150 N 0.20 7.15 0.32 1.36 2.15 -1.13 -4.87 116.67 121.84 3dxk s ASP 150 Ca 0.10 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.58 3dxk s ASP 150 Cb -0.11 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 3dxk s ASP 150 CO -0.01 0.06 0.73 -2.65 -0.17 0.00 0.00 175.17 173.14 3dxk n PRO 151 N 0.90 0.01 -3.11 4.34 -0.02 -1.26 -3.54 135.00 132.32 3dxk n PRO 151 Ca -0.03 0.45 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 3dxk n PRO 151 Cb 0.50 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3dxk n PRO 151 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dxk s GLN 152 N -2.94 3.15 1.01 -0.52 -1.52 -1.26 -5.04 119.66 112.54 3dxk s GLN 152 Ca 0.00 -0.81 -0.20 0.00 -1.95 0.00 0.00 55.36 52.40 3dxk s GLN 152 Cb 0.00 -4.10 -0.02 0.00 -0.22 0.00 0.00 33.01 28.68 3dxk s GLN 152 CO 0.00 -1.27 -0.61 -1.71 -0.25 0.00 0.00 175.29 171.45 3dxk n ASN 153 N 6.38 -2.69 -4.09 5.90 2.85 -1.23 -3.46 115.26 118.92 3dxk n ASN 153 Ca -0.05 -0.11 -0.28 0.00 -0.11 0.00 0.00 54.58 54.03 3dxk n ASN 153 Cb 0.46 -0.70 -0.05 0.00 1.24 0.00 0.00 39.78 40.73 3dxk n ASN 153 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3dxk n ASP 154 N 0.87 -0.12 -3.36 1.20 -0.08 -1.26 -4.92 116.55 108.87 3dxk n ASP 154 Ca 0.00 -1.09 -0.26 0.00 -1.51 0.00 0.00 54.79 51.93 3dxk n ASP 154 Cb 0.60 -2.58 -0.10 0.00 2.34 0.00 0.00 41.12 41.38 3dxk n ASP 154 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3dxk s LYS 155 N -6.84 0.87 -1.12 -0.67 1.02 -1.22 -4.82 119.74 106.95 3dxk s LYS 155 Ca 0.06 -1.94 -0.22 0.00 0.02 0.00 0.00 55.97 53.89 3dxk s LYS 155 Cb -0.03 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.98 3dxk s LYS 155 CO 0.93 -1.36 1.74 -2.14 -0.92 0.00 0.00 175.35 173.60 3dxk s PRO 156 N 0.25 3.28 -0.18 -1.68 0.02 -1.26 -2.86 135.00 132.56 3dxk s PRO 156 Ca 0.31 -1.25 -0.26 0.00 0.02 0.00 0.00 61.00 59.81 3dxk s PRO 156 Cb 0.00 -5.34 -0.12 0.00 0.02 0.00 0.00 34.50 29.07 3dxk s PRO 156 CO -0.16 -2.84 0.83 0.45 -0.33 0.00 0.00 177.00 174.95 3dxk n SER 157 N 10.91 0.44 0.33 2.53 2.88 -0.32 -4.69 113.62 125.70 3dxk n SER 157 Ca 0.42 0.70 0.18 0.00 -1.33 0.00 0.00 58.87 58.84 3dxk n SER 157 Cb 0.48 -0.53 0.96 0.00 -0.75 0.00 0.00 64.21 64.37 3dxk n SER 157 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3dxk h LYS 158 N 2.53 0.00 -0.56 -1.46 2.10 -1.90 -0.30 116.57 116.97 3dxk h LYS 158 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3dxk h LYS 158 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 3dxk h LYS 158 CO 0.51 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.87 3dxk n TRP 159 N -3.00 0.00 0.00 0.07 7.02 -1.26 -2.41 117.44 117.85 3dxk n TRP 159 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 3dxk n TRP 159 Cb 0.27 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 3dxk n TRP 159 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3dxk n TRP 160 N -0.21 0.00 0.05 -5.99 7.02 -0.15 -4.85 117.44 113.32 3dxk n TRP 160 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3dxk n TRP 160 Cb 0.14 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.91 3dxk n TRP 160 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3dxk h THR 161 N 0.00 1.54 -0.13 -0.99 2.02 -1.28 -3.34 112.91 110.72 3dxk h THR 161 Ca 0.00 -3.26 0.04 0.00 0.77 0.00 0.00 66.41 63.96 3dxk h THR 161 Cb 0.02 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3dxk h THR 161 CO 0.00 0.88 0.10 0.00 0.37 0.00 0.00 175.52 176.88 3dxk n PHE 163 N -4.40 0.37 0.06 0.00 3.01 -1.25 -3.92 117.46 111.33 3dxk n PHE 163 Ca 0.00 0.11 0.20 0.00 1.01 0.00 0.00 57.45 58.77 3dxk n PHE 163 Cb 0.22 -0.68 0.58 0.00 -0.01 0.00 0.00 39.48 39.60 3dxk n PHE 163 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3dxk h VAL 164 N 0.00 0.15 0.00 -4.37 3.04 -1.39 0.16 116.25 113.84 3dxk h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3dxk h VAL 164 Cb 0.55 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3dxk h VAL 164 CO 0.00 0.00 -1.10 0.29 -1.01 0.00 0.00 177.57 175.75 3dxk n LYS 165 N -3.30 0.20 -3.25 4.17 5.02 -1.25 -4.89 118.16 114.86 3dxk n LYS 165 Ca 0.10 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 56.00 3dxk n LYS 165 Cb 0.90 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 3dxk n LYS 165 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dxk s ARG 166 N -3.15 4.12 -0.17 1.97 0.52 0.57 -5.07 118.95 117.75 3dxk s ARG 166 Ca 0.04 0.67 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 3dxk s ARG 166 Cb 0.15 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.66 3dxk s ARG 166 CO 0.83 0.49 -0.18 -0.65 0.02 0.00 0.00 175.30 175.81 3dxk s GLN 167 N -1.77 2.73 0.19 3.54 -0.21 -1.26 -5.03 119.66 117.85 3dxk s GLN 167 Ca 0.37 -0.73 -0.32 0.00 0.02 0.00 0.00 55.36 54.70 3dxk s GLN 167 Cb -0.17 -2.39 -0.12 0.00 1.00 0.00 0.00 33.01 31.33 3dxk s GLN 167 CO 0.20 -0.21 1.73 0.34 -2.12 0.00 0.00 175.29 175.23 3dxk n PHE 168 N 4.65 2.68 -1.39 0.91 7.35 -1.24 -0.75 117.46 129.67 3dxk n PHE 168 Ca -0.19 0.03 -0.13 0.00 -0.76 0.00 0.00 57.45 56.39 3dxk n PHE 168 Cb 0.50 -2.67 -0.05 0.00 0.35 0.00 0.00 39.48 37.60 3dxk n PHE 168 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3dxk n MET 169 N 4.25 -1.29 -2.94 -4.13 2.81 -0.76 -1.00 117.12 114.06 3dxk n MET 169 Ca 0.17 0.76 -0.22 0.00 -1.81 0.00 0.00 57.70 56.60 3dxk n MET 169 Cb 0.35 -5.00 0.02 0.00 -0.71 0.00 0.00 33.22 27.87 3dxk n MET 169 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dxk n ASN 170 N -0.49 -5.55 -4.50 7.83 3.02 0.07 -4.97 115.26 110.68 3dxk n ASN 170 Ca -0.13 -0.23 -0.25 0.00 -0.03 0.00 0.00 54.58 53.95 3dxk n ASN 170 Cb 0.43 -4.53 -0.10 0.00 -0.61 0.00 0.00 39.78 34.97 3dxk n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dxk s LYS 171 N -5.61 1.72 0.02 3.52 -0.14 -0.17 -5.05 119.74 114.04 3dxk s LYS 171 Ca 0.25 -1.83 -0.10 0.00 -1.36 0.00 0.00 55.97 52.92 3dxk s LYS 171 Cb -0.12 -1.70 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 3dxk s LYS 171 CO 0.31 0.24 0.21 0.45 -0.76 0.00 0.00 175.35 175.80 3dxk s SER 172 N -3.54 -0.02 0.08 2.83 0.15 -1.26 -4.34 113.70 107.60 3dxk s SER 172 Ca 0.31 -0.24 0.25 0.00 0.70 0.00 0.00 55.95 56.96 3dxk s SER 172 Cb -0.01 0.28 0.41 0.00 -1.71 0.00 0.00 66.02 64.99 3dxk s SER 172 CO 0.15 -0.50 1.36 0.18 1.20 0.00 0.00 173.24 175.62 3dxk n LEU 173 N 0.93 0.61 -1.27 3.45 4.77 -1.26 -3.07 117.00 121.16 3dxk n LEU 173 Ca -0.20 0.16 0.08 0.00 -0.03 0.00 0.00 56.01 56.02 3dxk n LEU 173 Cb 0.58 -0.21 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 3dxk n LEU 173 CO 0.22 0.00 0.73 -1.20 -1.33 0.00 0.00 177.39 175.81 3dxk n SER 174 N -1.91 3.73 0.00 -1.43 7.64 -1.26 -4.62 113.62 115.76 3dxk n SER 174 Ca 0.04 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3dxk n SER 174 Cb 0.41 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3dxk n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64