#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knj s ILE 3 N 0.00 5.28 -0.04 0.55 2.07 -1.26 -0.88 121.20 126.91 1knj s ILE 3 Ca 0.00 -0.84 -0.18 0.00 -1.41 0.00 0.00 60.65 58.22 1knj s ILE 3 Cb 0.00 -3.81 0.03 0.00 0.13 0.00 0.00 42.46 38.81 1knj s ILE 3 CO 0.00 -0.25 0.39 -0.83 -1.91 0.00 0.00 174.94 172.34 1knj s GLY 4 N -3.69 -0.25 -0.00 1.50 0.00 0.40 -3.71 107.32 101.57 1knj s GLY 4 Ca 0.35 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.70 1knj s GLY 4 CO 0.29 0.40 -0.02 -1.58 0.00 0.00 0.00 173.10 172.18 1knj s HIS 5 N -1.08 0.21 0.03 1.90 5.04 -1.26 -0.13 115.29 120.01 1knj s HIS 5 Ca -0.11 -0.04 0.00 0.00 -1.54 0.00 0.00 55.06 53.37 1knj s HIS 5 Cb -0.04 -0.14 -0.02 0.00 0.04 0.00 0.00 32.58 32.42 1knj s HIS 5 CO 0.05 -0.00 -0.04 0.20 -2.34 0.00 0.00 174.74 172.60 1knj s GLY 6 N -0.06 0.33 0.00 1.59 0.00 0.30 -4.03 107.32 105.45 1knj s GLY 6 Ca 0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 44.72 43.95 1knj s GLY 6 CO -0.00 -0.81 0.08 -0.12 0.00 0.00 0.00 173.10 172.26 1knj s PHE 7 N -1.87 0.09 -0.23 1.90 5.36 -1.26 -0.83 117.98 121.13 1knj s PHE 7 Ca -0.11 -0.20 -0.28 0.00 -0.96 0.00 0.00 56.93 55.39 1knj s PHE 7 Cb -0.07 -0.08 0.14 0.00 -0.34 0.00 0.00 43.02 42.67 1knj s PHE 7 CO -0.02 -0.23 1.10 0.34 -1.46 0.00 0.00 175.22 174.94 1knj s ASP 8 N -1.23 -0.33 0.18 6.13 2.15 -0.67 -4.73 116.67 118.16 1knj s ASP 8 Ca -0.13 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1knj s ASP 8 Cb -0.07 0.47 -0.04 0.00 -0.30 0.00 0.00 42.92 42.97 1knj s ASP 8 CO 0.01 -0.20 0.06 0.68 -0.17 0.00 0.00 175.17 175.54 1knj s VAL 9 N -0.46 0.35 -0.23 1.11 -7.23 -1.26 -0.68 120.40 111.99 1knj s VAL 9 Ca 0.02 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 1knj s VAL 9 Cb -0.03 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.74 1knj s VAL 9 CO -0.04 -0.32 0.60 -1.00 -0.31 0.00 0.00 175.10 174.02 1knj s HIS 10 N -3.89 -0.69 0.37 2.82 3.76 -0.50 -4.98 115.29 112.18 1knj s HIS 10 Ca 0.29 1.64 -0.15 0.00 -0.15 0.00 0.00 55.06 56.69 1knj s HIS 10 Cb 0.07 0.27 -0.09 0.00 1.11 0.00 0.00 32.58 33.94 1knj s HIS 10 CO 0.06 -0.34 0.79 0.00 -0.85 0.00 0.00 174.74 174.40 1knj s ALA 11 N 0.51 3.27 0.52 -1.40 0.00 -1.26 -1.14 121.76 122.27 1knj s ALA 11 Ca -0.02 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1knj s ALA 11 Cb -0.05 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 1knj s ALA 11 CO -0.02 0.19 0.99 -0.06 0.00 0.00 0.00 175.76 176.86 1knj s PHE 12 N -2.15 3.40 0.00 0.00 2.99 0.57 -1.50 117.98 121.29 1knj s PHE 12 Ca 0.55 1.47 0.00 0.00 0.00 0.00 0.00 56.93 58.95 1knj s PHE 12 Cb -0.10 -2.82 0.00 0.00 0.00 0.00 0.00 43.02 40.10 1knj s PHE 12 CO 0.21 -0.45 0.00 0.41 -0.00 0.00 0.00 175.22 175.39 1knj n GLY 13 N -1.50 2.41 0.29 4.36 0.00 0.88 -4.74 105.19 106.88 1knj n GLY 13 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1knj n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1knj n GLY 14 N -1.10 -2.84 0.00 -0.02 0.00 -1.26 -2.37 105.19 97.60 1knj n GLY 14 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1knj n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1knj n GLU 15 N -0.67 0.21 0.00 1.61 4.07 -1.26 -3.49 120.64 121.11 1knj n GLU 15 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1knj n GLU 15 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1knj n GLU 15 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1knj n GLY 16 N 1.37 0.60 0.09 8.31 0.00 -1.26 -1.57 105.19 112.73 1knj n GLY 16 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1knj n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1knj n PRO 17 N 0.00 0.00 -4.27 1.61 -0.02 -1.26 -2.53 135.00 128.54 1knj n PRO 17 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1knj n PRO 17 Cb 0.00 -0.03 -0.12 0.00 -0.02 0.00 0.00 33.50 33.34 1knj n PRO 17 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1knj s ILE 18 N -0.02 1.55 -0.14 4.25 -4.36 -1.08 -4.33 121.20 117.07 1knj s ILE 18 Ca 0.02 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1knj s ILE 18 Cb -0.02 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.18 1knj s ILE 18 CO 0.01 -0.20 -0.19 -0.63 0.24 0.00 0.00 174.94 174.18 1knj s ILE 19 N -1.51 2.38 -0.08 8.37 1.01 -1.26 -1.38 121.20 128.73 1knj s ILE 19 Ca 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1knj s ILE 19 Cb -0.08 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.46 1knj s ILE 19 CO 0.04 0.54 0.09 -0.63 0.00 0.00 0.00 174.94 174.98 1knj s ILE 20 N 0.70 -0.14 -0.87 2.92 1.01 -0.49 -3.88 121.20 120.44 1knj s ILE 20 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1knj s ILE 20 Cb -0.16 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1knj s ILE 20 CO 0.01 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1knj n GLY 21 N 5.30 0.88 1.65 6.18 0.00 -1.26 -2.31 105.19 115.63 1knj n GLY 21 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1knj n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1knj n GLY 22 N -1.81 1.74 3.84 -0.02 0.00 -1.26 -4.71 105.19 102.98 1knj n GLY 22 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1knj n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1knj s VAL 23 N -2.48 5.03 -0.44 1.61 1.01 -0.98 -5.05 120.40 119.09 1knj s VAL 23 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1knj s VAL 23 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1knj s VAL 23 CO 0.00 0.47 0.77 -0.60 0.00 0.00 0.00 175.10 175.75 1knj s ARG 24 N -1.38 3.41 -0.14 2.72 3.52 -1.26 -1.40 118.95 124.43 1knj s ARG 24 Ca 0.27 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.73 1knj s ARG 24 Cb -0.16 -3.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.27 1knj s ARG 24 CO 0.15 -1.09 -0.01 0.42 -0.81 0.00 0.00 175.30 173.95 1knj s ILE 25 N 3.24 4.13 0.33 4.11 1.01 -0.48 -4.99 121.20 128.56 1knj s ILE 25 Ca 0.29 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 1knj s ILE 25 Cb -0.12 -2.80 -0.10 0.00 0.01 0.00 0.00 42.46 39.45 1knj s ILE 25 CO 0.22 0.52 1.31 -2.84 0.00 0.00 0.00 174.94 174.15 1knj s PRO 26 N 0.04 4.35 -0.28 2.79 0.02 -1.26 -2.62 135.00 138.04 1knj s PRO 26 Ca 0.02 2.22 -0.25 0.00 0.02 0.00 0.00 61.00 63.01 1knj s PRO 26 Cb -0.13 -3.07 0.15 0.00 0.02 0.00 0.00 34.50 31.47 1knj s PRO 26 CO 0.02 -0.20 1.22 -0.47 -0.33 0.00 0.00 177.00 177.24 1knj s TYR 27 N -1.12 -0.28 0.19 6.54 6.04 -1.26 -4.87 117.35 122.59 1knj s TYR 27 Ca 0.49 0.66 -0.18 0.00 0.04 0.00 0.00 57.07 58.09 1knj s TYR 27 Cb -0.40 0.42 0.15 0.00 -1.04 0.00 0.00 41.96 41.09 1knj s TYR 27 CO 0.53 -0.14 1.62 1.05 -1.54 0.00 0.00 175.55 177.07 1knj h GLU 28 N 3.62 -0.09 -6.80 4.97 4.11 -1.90 -3.35 114.58 115.14 1knj h GLU 28 Ca -0.27 0.01 -0.46 0.00 0.07 0.00 0.00 59.36 58.71 1knj h GLU 28 Cb 1.18 0.02 0.05 0.00 0.50 0.00 0.00 28.75 30.50 1knj h GLU 28 CO 0.15 -0.06 -0.05 0.15 0.07 0.00 0.00 179.01 179.27 1knj s LYS 29 N -6.15 2.26 0.32 1.06 1.02 -1.26 -4.18 119.74 112.82 1knj s LYS 29 Ca -0.14 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.66 1knj s LYS 29 Cb 0.16 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1knj s LYS 29 CO 0.71 -0.90 0.05 0.41 -0.92 0.00 0.00 175.35 174.70 1knj n GLY 30 N -2.38 3.64 3.34 -3.33 0.00 -0.61 -4.32 105.19 101.53 1knj n GLY 30 Ca 0.12 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1knj n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1knj s LEU 31 N 0.00 2.88 -0.10 0.99 1.43 -1.20 -0.09 118.68 122.60 1knj s LEU 31 Ca 0.07 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 1knj s LEU 31 Cb 0.00 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1knj s LEU 31 CO 0.05 0.03 1.12 -0.76 0.23 0.00 0.00 176.35 177.02 1knj s LEU 32 N 1.15 4.24 -0.05 1.79 1.02 -0.56 -4.54 118.68 121.74 1knj s LEU 32 Ca 0.02 1.65 -0.30 0.00 0.02 0.00 0.00 54.13 55.52 1knj s LEU 32 Cb -0.14 -3.55 0.11 0.00 0.02 0.00 0.00 46.19 42.62 1knj s LEU 32 CO -0.01 -0.56 0.93 0.00 0.02 0.00 0.00 176.35 176.73 1knj s ALA 33 N 2.37 -1.86 0.37 4.21 0.00 -1.26 -4.37 121.76 121.22 1knj s ALA 33 Ca 0.52 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.68 1knj s ALA 33 Cb -0.21 0.18 0.72 0.00 0.00 0.00 0.00 23.12 23.81 1knj s ALA 33 CO 0.18 -0.61 1.99 1.25 0.00 0.00 0.00 175.76 178.57 1knj h HIS 34 N 2.11 0.60 -4.02 0.00 2.76 -2.02 -3.44 115.15 111.14 1knj h HIS 34 Ca -0.21 -0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 57.66 1knj h HIS 34 Cb 1.22 -0.20 -0.07 0.00 1.55 0.00 0.00 27.41 29.92 1knj h HIS 34 CO 0.27 0.44 -0.25 -1.13 -1.30 0.00 0.00 177.93 175.96 1knj n SER 35 N -4.41 1.20 -4.55 3.26 3.41 -1.26 -4.95 113.62 106.32 1knj n SER 35 Ca 0.03 -2.15 -0.47 0.00 -0.26 0.00 0.00 58.87 56.02 1knj n SER 35 Cb 0.11 0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1knj n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1knj n ASP 36 N -1.74 2.83 -3.00 4.04 5.75 -1.26 -4.73 116.55 118.44 1knj n ASP 36 Ca -0.04 0.38 -0.06 0.00 -0.01 0.00 0.00 54.79 55.07 1knj n ASP 36 Cb 0.33 -1.42 -0.01 0.00 -1.03 0.00 0.00 41.12 38.99 1knj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1knj n GLY 37 N 5.93 2.00 3.57 6.12 0.00 -1.26 -4.54 105.19 117.01 1knj n GLY 37 Ca 0.34 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1knj n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1knj s ASP 38 N 4.44 6.73 0.32 1.61 -1.08 -1.25 -4.78 116.67 122.66 1knj s ASP 38 Ca 0.11 -2.12 0.04 0.00 -0.52 0.00 0.00 52.55 50.06 1knj s ASP 38 Cb 0.03 -2.58 0.67 0.00 -1.46 0.00 0.00 42.92 39.58 1knj s ASP 38 CO -0.01 -1.28 1.88 -0.37 0.52 0.00 0.00 175.17 175.91 1knj h VAL 39 N 5.97 0.94 -0.06 1.11 -1.51 -1.86 -1.56 116.25 119.27 1knj h VAL 39 Ca 0.37 -0.30 0.02 0.00 -1.23 0.00 0.00 66.70 65.56 1knj h VAL 39 Cb 0.92 -0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.05 1knj h VAL 39 CO 1.45 0.16 -0.05 0.00 -1.23 0.00 0.00 177.57 177.89 1knj h ALA 40 N 1.56 -0.00 -0.20 5.19 0.00 -1.89 -0.11 119.26 123.80 1knj h ALA 40 Ca 0.43 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 1knj h ALA 40 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1knj h ALA 40 CO -0.19 -0.53 -0.39 -0.07 0.00 0.00 0.00 179.25 178.07 1knj h LEU 41 N -0.07 0.49 -0.28 0.00 3.38 -1.86 -1.19 115.31 115.79 1knj h LEU 41 Ca 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1knj h LEU 41 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1knj h LEU 41 CO -0.10 0.84 0.07 0.45 0.09 0.00 0.00 178.44 179.79 1knj h HIS 42 N 0.39 0.46 -0.61 1.13 3.86 -1.01 0.28 115.15 119.66 1knj h HIS 42 Ca 0.04 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1knj h HIS 42 Cb 0.86 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 1knj h HIS 42 CO 0.03 0.51 0.21 0.00 0.86 0.00 0.00 177.93 179.54 1knj h ALA 43 N 0.90 1.23 -0.57 2.45 0.00 -0.88 -0.90 119.26 121.48 1knj h ALA 43 Ca 0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1knj h ALA 43 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1knj h ALA 43 CO 0.00 0.55 0.01 1.25 0.00 0.00 0.00 179.25 181.06 1knj h LEU 44 N 0.88 0.98 0.22 0.00 5.85 -0.81 -1.59 115.31 120.83 1knj h LEU 44 Ca 0.20 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1knj h LEU 44 Cb 0.23 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1knj h LEU 44 CO -0.01 1.04 -0.11 0.74 -0.34 0.00 0.00 178.44 179.76 1knj h THR 45 N 0.89 0.85 -0.88 1.05 2.02 0.10 -0.75 112.91 116.20 1knj h THR 45 Ca 0.16 -0.40 0.15 0.00 0.77 0.00 0.00 66.41 67.09 1knj h THR 45 Cb 0.54 1.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 1knj h THR 45 CO 0.03 0.09 0.48 0.44 0.37 0.00 0.00 175.52 176.92 1knj h ASP 46 N -0.50 0.60 0.85 4.18 3.32 -1.13 0.66 116.42 124.39 1knj h ASP 46 Ca -0.03 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1knj h ASP 46 Cb 0.37 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1knj h ASP 46 CO 0.05 0.26 -0.41 0.00 -1.72 0.00 0.00 179.24 177.42 1knj h ALA 47 N 1.56 -1.14 -0.46 3.45 0.00 -1.02 0.51 119.26 122.16 1knj h ALA 47 Ca 0.48 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1knj h ALA 47 Cb 0.66 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1knj h ALA 47 CO -0.35 -1.10 -0.00 -0.07 0.00 0.00 0.00 179.25 177.72 1knj h LEU 48 N -1.21 -0.20 -1.45 0.00 3.38 -0.28 -0.02 115.31 115.54 1knj h LEU 48 Ca -0.12 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1knj h LEU 48 Cb 0.88 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1knj h LEU 48 CO 0.19 -0.06 0.01 -0.07 0.09 0.00 0.00 178.44 178.60 1knj h LEU 49 N 0.11 0.34 -0.61 1.67 4.07 0.41 -2.75 115.31 118.55 1knj h LEU 49 Ca 0.23 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 58.01 1knj h LEU 49 Cb 0.34 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1knj h LEU 49 CO -0.39 0.39 -0.37 1.23 -1.08 0.00 0.00 178.44 178.23 1knj h GLY 50 N 0.65 0.76 1.42 0.83 0.00 0.19 -0.07 103.07 106.85 1knj h GLY 50 Ca 0.08 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1knj h GLY 50 CO 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 176.54 177.03 1knj h ALA 51 N 1.01 1.00 -0.27 3.60 0.00 -0.98 -1.59 119.26 122.04 1knj h ALA 51 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1knj h ALA 51 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1knj h ALA 51 CO 0.08 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1knj n ALA 52 N -2.49 2.47 -3.57 0.00 0.00 -1.09 -4.72 120.51 111.11 1knj n ALA 52 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.70 1knj n ALA 52 Cb 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.88 1knj n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1knj n ALA 53 N 0.31 -2.58 -0.17 0.00 0.00 -0.60 -4.91 120.51 112.57 1knj n ALA 53 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1knj n ALA 53 Cb 0.25 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1knj n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1knj n LEU 54 N -3.54 1.65 -2.76 0.00 4.32 -0.09 -5.02 117.00 111.55 1knj n LEU 54 Ca -0.11 -1.65 -0.03 0.00 -0.02 0.00 0.00 56.01 54.21 1knj n LEU 54 Cb 0.59 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 1knj n LEU 54 CO 0.64 0.41 -0.52 0.61 -1.22 0.00 0.00 177.39 177.31 1knj n GLY 55 N -0.41 -3.80 0.34 -0.72 0.00 -1.26 -4.90 105.19 94.45 1knj n GLY 55 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1knj n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1knj n ASP 56 N 1.45 0.00 0.06 1.61 5.68 -1.26 -3.96 116.55 120.13 1knj n ASP 56 Ca -0.19 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1knj n ASP 56 Cb 0.35 -1.02 0.48 0.00 -1.14 0.00 0.00 41.12 39.79 1knj n ASP 56 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1knj n ILE 57 N -1.41 0.32 0.40 2.12 3.06 -1.26 -3.05 119.36 119.55 1knj n ILE 57 Ca 0.00 -0.16 0.12 0.00 -2.50 0.00 0.00 62.75 60.21 1knj n ILE 57 Cb 0.31 -0.50 0.50 0.00 0.54 0.00 0.00 39.64 40.49 1knj n ILE 57 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1knj h GLY 58 N 4.73 0.00 2.00 4.50 0.00 -1.93 -0.81 103.07 111.56 1knj h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1knj h GLY 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1knj h LYS 59 N 0.00 0.00 -0.21 4.80 5.09 -1.66 -1.96 116.57 122.63 1knj h LYS 59 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1knj h LYS 59 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 1knj h LYS 59 CO 0.00 0.00 0.00 -0.11 -2.09 0.00 0.00 179.45 177.25 1knj n LEU 60 N -2.46 1.21 -1.20 7.07 7.94 -0.31 -5.02 117.00 124.22 1knj n LEU 60 Ca 0.04 -0.58 0.13 0.00 -1.11 0.00 0.00 56.01 54.49 1knj n LEU 60 Cb 0.39 -0.14 -0.07 0.00 0.53 0.00 0.00 43.42 44.13 1knj n LEU 60 CO 0.28 0.29 -0.52 0.49 -1.11 0.00 0.00 177.39 176.82 1knj n PHE 61 N 0.13 -3.24 -2.64 1.96 3.72 -0.74 -4.82 117.46 111.83 1knj n PHE 61 Ca 0.09 1.79 0.01 0.00 -0.05 0.00 0.00 57.45 59.30 1knj n PHE 61 Cb 0.20 -2.94 0.04 0.00 -0.94 0.00 0.00 39.48 35.84 1knj n PHE 61 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1knj n PRO 62 N -3.78 0.89 -0.00 -1.08 -0.05 -1.26 -4.64 135.00 125.08 1knj n PRO 62 Ca -0.07 -2.61 0.01 0.00 -0.05 0.00 0.00 63.50 60.78 1knj n PRO 62 Cb 0.55 -0.71 -0.02 0.00 -0.05 0.00 0.00 33.50 33.28 1knj n PRO 62 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1knj n ASP 63 N -0.16 1.00 -4.11 3.54 -0.08 -1.26 -5.02 116.55 110.46 1knj n ASP 63 Ca 0.03 -0.45 -0.41 0.00 -1.51 0.00 0.00 54.79 52.46 1knj n ASP 63 Cb 0.95 1.03 -0.01 0.00 2.34 0.00 0.00 41.12 45.43 1knj n ASP 63 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1knj n THR 64 N -1.17 -2.07 -2.21 5.18 5.66 -1.26 -4.79 114.28 113.62 1knj n THR 64 Ca 0.00 -0.53 -0.40 0.00 -3.05 0.00 0.00 64.05 60.07 1knj n THR 64 Cb 0.05 -1.79 -0.03 0.00 -1.55 0.00 0.00 70.33 67.01 1knj n THR 64 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1knj s ASP 65 N -3.79 5.71 0.00 1.09 1.01 -1.26 -4.71 116.67 114.72 1knj s ASP 65 Ca 0.35 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.93 1knj s ASP 65 Cb -0.20 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1knj s ASP 65 CO 0.92 -2.04 0.00 -2.65 0.21 0.00 0.00 175.17 171.62 1knj n PRO 66 N 8.98 0.00 0.00 8.23 -0.02 -1.26 -3.41 135.00 147.52 1knj n PRO 66 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1knj n PRO 66 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1knj n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1knj n ALA 67 N 0.00 0.00 -3.78 3.55 0.00 -1.26 -5.11 120.51 113.90 1knj n ALA 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1knj n ALA 67 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1knj n ALA 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1knj s PHE 68 N 0.00 1.83 0.00 0.00 0.40 -1.22 -4.99 117.98 114.00 1knj s PHE 68 Ca 0.00 -1.67 0.00 0.00 -0.60 0.00 0.00 56.93 54.66 1knj s PHE 68 Cb 0.00 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1knj s PHE 68 CO 0.00 -0.82 0.00 1.17 0.70 0.00 0.00 175.22 176.27 1knj n LYS 69 N 4.82 0.00 0.00 0.44 3.00 -1.26 -4.46 118.16 120.70 1knj n LYS 69 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1knj n LYS 69 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 1knj n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1knj n GLY 70 N 0.00 1.50 3.28 3.14 0.00 -1.26 -4.99 105.19 106.86 1knj n GLY 70 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1knj n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1knj s ALA 71 N -2.00 2.21 0.95 4.61 0.00 -1.26 -5.14 121.76 121.13 1knj s ALA 71 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1knj s ALA 71 Cb 0.00 -0.70 0.16 0.00 0.00 0.00 0.00 23.12 22.58 1knj s ALA 71 CO 0.00 0.42 1.09 0.16 0.00 0.00 0.00 175.76 177.43 1knj s ASP 72 N -0.19 2.93 0.51 0.00 3.84 -1.26 -4.78 116.67 117.72 1knj s ASP 72 Ca -0.03 1.50 0.18 0.00 -0.00 0.00 0.00 52.55 54.20 1knj s ASP 72 Cb -0.14 -2.17 1.27 0.00 -1.38 0.00 0.00 42.92 40.51 1knj s ASP 72 CO 0.03 -2.98 2.09 0.28 -0.00 0.00 0.00 175.17 174.59 1knj h SER 73 N -1.79 0.05 -0.80 2.11 0.02 -1.95 -2.26 113.55 108.94 1knj h SER 73 Ca -0.52 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1knj h SER 73 Cb 1.30 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1knj h SER 73 CO 0.53 0.03 0.35 0.03 -1.14 0.00 0.00 176.83 176.64 1knj h ARG 74 N 0.06 1.17 -0.31 3.45 2.47 -1.96 0.03 114.38 119.29 1knj h ARG 74 Ca 0.10 -0.19 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 1knj h ARG 74 Cb 0.34 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1knj h ARG 74 CO -0.01 0.93 -0.28 0.93 0.56 0.00 0.00 179.97 182.10 1knj h GLU 75 N 1.14 0.74 -0.71 0.04 5.08 -1.77 -2.01 114.58 117.09 1knj h GLU 75 Ca 0.27 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1knj h GLU 75 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1knj h GLU 75 CO -0.03 1.00 0.41 -0.07 -1.00 0.00 0.00 179.01 179.32 1knj h LEU 76 N 0.49 0.86 -0.33 1.33 3.38 -1.23 -0.14 115.31 119.68 1knj h LEU 76 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1knj h LEU 76 Cb 0.85 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1knj h LEU 76 CO 0.07 0.69 0.21 0.25 0.09 0.00 0.00 178.44 179.75 1knj h LEU 77 N 0.97 0.39 -0.84 1.67 5.85 -0.87 0.18 115.31 122.66 1knj h LEU 77 Ca 0.25 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1knj h LEU 77 Cb -0.01 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1knj h LEU 77 CO -0.05 0.30 0.44 0.03 -0.34 0.00 0.00 178.44 178.83 1knj h ARG 78 N 0.44 1.18 0.33 1.25 3.08 -1.01 -0.05 114.38 119.60 1knj h ARG 78 Ca 0.12 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1knj h ARG 78 Cb -0.02 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1knj h ARG 78 CO -0.02 0.88 -0.16 1.49 -1.07 0.00 0.00 179.97 181.09 1knj h GLU 79 N 1.18 -0.42 -0.99 0.04 4.57 -0.58 0.07 114.58 118.44 1knj h GLU 79 Ca 0.29 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.62 1knj h GLU 79 Cb 0.05 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 1knj h GLU 79 CO -0.04 -0.19 0.62 0.00 -1.18 0.00 0.00 179.01 178.22 1knj h ALA 80 N 0.02 1.47 -0.67 2.92 0.00 -0.48 -0.46 119.26 122.07 1knj h ALA 80 Ca -0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1knj h ALA 80 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1knj h ALA 80 CO 0.07 0.24 0.12 2.35 0.00 0.00 0.00 179.25 182.03 1knj h TRP 81 N 1.00 1.15 -0.90 0.00 -0.00 -0.67 -1.28 115.95 115.23 1knj h TRP 81 Ca 0.48 -0.15 0.03 0.00 -0.00 0.00 0.00 58.89 59.25 1knj h TRP 81 Cb 0.45 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 29.24 1knj h TRP 81 CO -0.01 0.96 0.59 -0.09 -0.00 0.00 0.00 178.44 179.89 1knj h ARG 82 N 1.02 1.11 -0.02 2.65 2.43 0.65 -0.33 114.38 121.89 1knj h ARG 82 Ca 0.21 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1knj h ARG 82 Cb 0.42 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1knj h ARG 82 CO 0.01 0.74 -0.73 0.00 -1.51 0.00 0.00 179.97 178.48 1knj h ARG 83 N 1.15 0.11 -0.19 0.20 3.08 -0.87 -2.31 114.38 115.55 1knj h ARG 83 Ca 0.35 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 1knj h ARG 83 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1knj h ARG 83 CO -0.10 0.79 -0.35 0.82 -1.07 0.00 0.00 179.97 180.05 1knj h ILE 84 N 0.07 1.34 -0.20 2.04 2.04 -0.60 -2.84 117.51 119.37 1knj h ILE 84 Ca -0.02 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1knj h ILE 84 Cb 1.28 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1knj h ILE 84 CO 0.10 0.49 -0.07 1.56 0.00 0.00 0.00 178.15 180.23 1knj h GLN 85 N 0.23 0.30 -0.89 2.37 4.20 -1.05 -1.54 115.11 118.74 1knj h GLN 85 Ca 0.01 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.80 1knj h GLN 85 Cb 0.95 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 1knj h GLN 85 CO 0.08 0.39 0.50 0.00 -0.67 0.00 0.00 178.83 179.12 1knj h ALA 86 N 1.65 1.35 -0.03 3.87 0.00 -1.17 0.71 119.26 125.64 1knj h ALA 86 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1knj h ALA 86 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1knj h ALA 86 CO 0.01 -0.01 0.02 1.63 0.00 0.00 0.00 179.25 180.91 1knj n LYS 87 N -4.80 1.03 -3.05 0.00 5.02 -0.60 -4.79 118.16 110.98 1knj n LYS 87 Ca 0.18 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 1knj n LYS 87 Cb 0.41 -1.03 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 1knj n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1knj n GLY 88 N 0.57 -0.51 3.77 0.72 0.00 0.25 -4.98 105.19 105.01 1knj n GLY 88 Ca 0.02 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1knj n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1knj s TYR 89 N -3.10 3.25 0.08 1.61 1.51 -1.11 -4.66 117.35 114.93 1knj s TYR 89 Ca 0.30 0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.61 1knj s TYR 89 Cb -0.14 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1knj s TYR 89 CO 0.37 0.54 -0.19 -0.08 -1.11 0.00 0.00 175.55 175.08 1knj s THR 90 N -1.23 1.58 0.19 -0.71 -1.32 0.04 -4.10 115.64 110.09 1knj s THR 90 Ca 0.24 -1.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.02 1knj s THR 90 Cb -0.12 -1.43 -0.08 0.00 -1.51 0.00 0.00 72.50 69.36 1knj s THR 90 CO 0.15 -0.02 1.18 -0.22 -2.21 0.00 0.00 174.62 173.51 1knj s LEU 91 N -1.68 4.46 -0.02 9.08 2.96 -1.26 -0.49 118.68 131.72 1knj s LEU 91 Ca 0.05 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.17 1knj s LEU 91 Cb -0.10 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1knj s LEU 91 CO 0.03 -0.35 -0.04 0.61 -1.32 0.00 0.00 176.35 175.29 1knj n GLY 92 N 2.07 -0.43 3.52 7.98 0.00 -0.55 -4.79 105.19 112.99 1knj n GLY 92 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1knj n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1knj s ASN 93 N -4.34 -0.42 0.02 1.61 4.22 -0.95 -4.85 114.94 110.22 1knj s ASN 93 Ca -0.03 0.21 0.00 0.00 -2.14 0.00 0.00 52.86 50.89 1knj s ASN 93 Cb 0.00 0.40 -0.02 0.00 1.28 0.00 0.00 41.25 42.92 1knj s ASN 93 CO 0.05 -0.57 -0.03 0.68 -2.04 0.00 0.00 177.10 175.19 1knj s VAL 94 N -2.36 0.12 -0.05 3.54 -7.23 -0.03 -0.93 120.40 113.46 1knj s VAL 94 Ca 0.01 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1knj s VAL 94 Cb -0.01 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.72 1knj s VAL 94 CO -0.04 -0.38 -0.06 -0.62 -0.31 0.00 0.00 175.10 173.69 1knj s ASP 95 N -1.15 1.09 0.08 4.85 2.15 -0.77 -0.52 116.67 122.39 1knj s ASP 95 Ca -0.12 -0.16 0.07 0.00 0.43 0.00 0.00 52.55 52.77 1knj s ASP 95 Cb -0.08 -0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 41.99 1knj s ASP 95 CO -0.01 -0.03 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.12 1knj s VAL 96 N 0.80 2.99 -0.15 1.11 1.01 0.99 -1.32 120.40 125.83 1knj s VAL 96 Ca -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 1knj s VAL 96 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1knj s VAL 96 CO 0.01 0.21 0.04 -0.89 0.00 0.00 0.00 175.10 174.47 1knj s THR 97 N -1.07 0.30 -0.12 3.92 2.01 0.14 -1.97 115.64 118.85 1knj s THR 97 Ca 0.17 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 1knj s THR 97 Cb -0.11 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1knj s THR 97 CO 0.09 -0.07 0.38 -0.63 -0.69 0.00 0.00 174.62 173.70 1knj s ILE 98 N 1.97 5.23 -0.29 1.82 1.01 -0.21 -0.48 121.20 130.25 1knj s ILE 98 Ca 0.02 0.75 -0.00 0.00 0.00 0.00 0.00 60.65 61.41 1knj s ILE 98 Cb -0.15 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1knj s ILE 98 CO -0.07 0.39 -0.02 -0.63 0.00 0.00 0.00 174.94 174.60 1knj s ILE 99 N 0.33 2.77 -0.08 2.92 1.01 0.76 -0.13 121.20 128.78 1knj s ILE 99 Ca 0.21 -1.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 1knj s ILE 99 Cb -0.14 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.76 1knj s ILE 99 CO 0.08 -0.10 0.50 0.00 0.00 0.00 0.00 174.94 175.41 1knj s ALA 100 N 1.21 -1.28 0.07 9.38 0.00 -0.24 -1.80 121.76 129.10 1knj s ALA 100 Ca -0.06 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 1knj s ALA 100 Cb -0.20 -0.22 -0.28 0.00 0.00 0.00 0.00 23.12 22.42 1knj s ALA 100 CO -0.02 -0.30 1.14 0.37 0.00 0.00 0.00 175.76 176.95 1knj h GLN 101 N 3.97 0.27 -2.33 0.00 5.75 -1.83 -3.35 115.11 117.60 1knj h GLN 101 Ca -0.28 -0.46 0.07 0.00 -0.15 0.00 0.00 58.65 57.83 1knj h GLN 101 Cb 1.16 0.17 -0.16 0.00 1.07 0.00 0.00 27.48 29.73 1knj h GLN 101 CO 0.33 1.22 0.42 0.00 -2.65 0.00 0.00 178.83 178.15 1knj s ALA 102 N -2.66 -1.79 1.03 3.38 0.00 -1.26 -4.83 121.76 115.64 1knj s ALA 102 Ca -0.04 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 1knj s ALA 102 Cb 0.07 0.35 0.22 0.00 0.00 0.00 0.00 23.12 23.76 1knj s ALA 102 CO 0.88 -0.64 1.21 -1.25 0.00 0.00 0.00 175.76 175.96 1knj s PRO 103 N -2.88 0.10 1.03 0.00 0.04 -1.26 -5.02 135.00 127.00 1knj s PRO 103 Ca 0.02 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 60.78 1knj s PRO 103 Cb -0.01 -1.76 0.20 0.00 0.04 0.00 0.00 34.50 32.97 1knj s PRO 103 CO -0.07 -2.82 1.12 0.15 0.04 0.00 0.00 177.00 175.42 1knj s LYS 104 N -5.59 0.21 0.00 4.56 -0.14 -1.26 -4.98 119.74 112.53 1knj s LYS 104 Ca 0.71 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 55.60 1knj s LYS 104 Cb -0.08 -1.73 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 1knj s LYS 104 CO 0.54 -2.83 0.00 -0.11 -0.76 0.00 0.00 175.35 172.19 1knj n LEU 106 N -4.20 0.00 0.22 3.17 -0.00 -1.26 -4.66 117.00 110.26 1knj n LEU 106 Ca 0.07 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.16 1knj n LEU 106 Cb 0.58 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.52 1knj n LEU 106 CO 0.54 0.00 0.83 1.55 -0.00 0.00 0.00 177.39 180.31 1knj h PRO 107 N 0.00 0.00 0.00 1.96 0.13 -2.04 -3.08 132.00 128.97 1knj h PRO 107 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1knj h PRO 107 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1knj h PRO 107 CO 0.00 0.25 -0.54 0.72 -0.23 0.00 0.00 178.00 178.20 1knj n HIS 108 N -3.79 0.01 0.05 1.56 8.25 -1.26 -4.45 115.22 115.59 1knj n HIS 108 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 1knj n HIS 108 Cb 0.35 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 1knj n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1knj h ILE 109 N 0.00 0.00 -0.85 1.59 2.04 -1.93 -2.49 117.51 115.87 1knj h ILE 109 Ca 0.00 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1knj h ILE 109 Cb 0.51 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.43 1knj h ILE 109 CO 0.00 0.00 -0.03 1.55 0.00 0.00 0.00 178.15 179.67 1knj h PRO 110 N -0.63 0.06 -1.81 2.37 0.13 -1.80 -0.87 132.00 129.45 1knj h PRO 110 Ca 0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1knj h PRO 110 Cb 0.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1knj h PRO 110 CO -0.35 0.04 0.00 0.94 -0.23 0.00 0.00 178.00 178.40 1knj n GLN 111 N -5.43 0.20 0.00 0.86 -0.06 -0.94 -1.66 117.38 110.36 1knj n GLN 111 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1knj n GLN 111 Cb 0.55 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 1knj n GLN 111 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1knj n ARG 113 N 0.97 0.00 0.02 3.69 1.74 -0.33 -1.86 116.66 120.90 1knj n ARG 113 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1knj n ARG 113 Cb 0.10 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.48 1knj n ARG 113 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1knj h VAL 114 N 0.00 1.01 0.21 1.55 2.07 -1.58 -0.91 116.25 118.61 1knj h VAL 114 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1knj h VAL 114 Cb 0.00 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1knj h VAL 114 CO 0.00 0.01 -0.18 -0.26 0.02 0.00 0.00 177.57 177.16 1knj h PHE 115 N 0.05 -0.47 -0.51 1.57 0.05 -1.67 -1.57 116.94 114.40 1knj h PHE 115 Ca 0.02 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.86 1knj h PHE 115 Cb -0.00 0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.08 1knj h PHE 115 CO -0.08 -0.27 0.24 0.82 -0.18 0.00 0.00 178.31 178.85 1knj h ILE 116 N -0.41 0.92 0.00 -0.55 2.04 -1.82 -0.15 117.51 117.54 1knj h ILE 116 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1knj h ILE 116 Cb 0.37 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1knj h ILE 116 CO -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.18 1knj h ALA 117 N 1.29 1.76 0.18 1.87 0.00 -0.92 -0.46 119.26 122.98 1knj h ALA 117 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1knj h ALA 117 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1knj h ALA 117 CO -0.18 0.04 -0.09 0.93 0.00 0.00 0.00 179.25 179.95 1knj h GLU 118 N 0.00 -0.24 -0.96 0.00 5.08 -0.11 -1.61 114.58 116.74 1knj h GLU 118 Ca -0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 1knj h GLU 118 Cb 0.06 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 1knj h GLU 118 CO 0.00 -0.16 0.54 -0.44 -1.00 0.00 0.00 179.01 177.96 1knj h ASP 119 N -1.03 0.66 0.18 1.42 3.32 -0.83 0.15 116.42 120.28 1knj h ASP 119 Ca -0.03 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1knj h ASP 119 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1knj h ASP 119 CO 0.04 0.20 -0.15 0.18 -1.72 0.00 0.00 179.24 177.79 1knj n LEU 120 N -4.84 1.05 -2.99 1.55 4.77 -0.21 -4.73 117.00 111.60 1knj n LEU 120 Ca 0.22 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1knj n LEU 120 Cb 0.58 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1knj n LEU 120 CO 0.19 0.19 -0.16 0.61 -1.33 0.00 0.00 177.39 176.89 1knj n GLY 121 N 1.27 -1.46 2.12 -0.72 0.00 0.51 -4.93 105.19 101.98 1knj n GLY 121 Ca 0.15 1.01 -0.01 0.00 0.00 0.00 0.00 46.02 47.16 1knj n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1knj n HIS 123 N -0.41 0.00 0.00 0.00 -0.00 -1.26 -4.66 115.22 108.89 1knj n HIS 123 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1knj n HIS 123 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 1knj n HIS 123 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1knj n ASP 125 N 0.00 0.00 -0.94 0.26 -0.08 -1.26 -4.10 116.55 110.43 1knj n ASP 125 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1knj n ASP 125 Cb 0.00 -0.05 0.27 0.00 2.34 0.00 0.00 41.12 43.68 1knj n ASP 125 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1knj n ASP 126 N 0.00 2.80 -3.78 1.67 8.00 -1.26 -4.84 116.55 119.14 1knj n ASP 126 Ca 0.00 -1.91 -0.21 0.00 0.71 0.00 0.00 54.79 53.38 1knj n ASP 126 Cb 0.00 -0.23 -0.17 0.00 -0.02 0.00 0.00 41.12 40.70 1knj n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1knj s VAL 127 N -1.55 0.26 0.03 2.53 0.11 -1.26 -0.86 120.40 119.67 1knj s VAL 127 Ca 0.36 0.14 0.09 0.00 -2.93 0.00 0.00 61.98 59.64 1knj s VAL 127 Cb 0.20 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 1knj s VAL 127 CO 0.29 0.22 -0.25 0.21 -3.33 0.00 0.00 175.10 172.23 1knj s ASN 128 N 1.69 3.24 -0.01 3.54 2.47 0.32 -4.98 114.94 121.21 1knj s ASN 128 Ca 0.00 -0.53 0.01 0.00 0.42 0.00 0.00 52.86 52.76 1knj s ASN 128 Cb -0.13 -0.36 0.01 0.00 -1.45 0.00 0.00 41.25 39.32 1knj s ASN 128 CO -0.04 0.28 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.91 1knj s VAL 129 N -0.77 0.22 0.24 -5.21 1.01 -1.26 -0.01 120.40 114.61 1knj s VAL 129 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1knj s VAL 129 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1knj s VAL 129 CO 0.02 0.09 0.20 -1.59 0.00 0.00 0.00 175.10 173.81 1knj s LYS 130 N 0.24 1.37 0.03 2.72 -2.85 -0.83 -4.96 119.74 115.46 1knj s LYS 130 Ca -0.02 -1.70 -0.00 0.00 -1.00 0.00 0.00 55.97 53.24 1knj s LYS 130 Cb -0.05 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 1knj s LYS 130 CO -0.01 -0.48 -0.03 0.00 0.10 0.00 0.00 175.35 174.93 1knj s ALA 131 N -3.95 0.29 0.07 0.59 0.00 -1.26 -1.05 121.76 116.46 1knj s ALA 131 Ca 0.38 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 1knj s ALA 131 Cb 0.05 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1knj s ALA 131 CO 0.16 -0.24 0.49 -0.08 0.00 0.00 0.00 175.76 176.09 1knj s THR 132 N -2.44 0.04 0.52 0.00 -1.32 0.82 -4.91 115.64 108.33 1knj s THR 132 Ca -0.07 -0.31 0.06 0.00 -1.21 0.00 0.00 61.69 60.16 1knj s THR 132 Cb -0.03 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.99 1knj s THR 132 CO -0.05 -0.17 0.40 0.42 -2.21 0.00 0.00 174.62 173.02 1knj s THR 133 N -2.74 1.87 -0.28 5.08 -4.23 -1.26 -1.08 115.64 113.00 1knj s THR 133 Ca -0.04 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1knj s THR 133 Cb -0.00 -2.33 0.48 0.00 1.34 0.00 0.00 72.50 71.99 1knj s THR 133 CO -0.04 0.00 1.40 0.35 -0.54 0.00 0.00 174.62 175.79 1knj n THR 134 N -1.72 2.51 -4.05 3.99 -2.24 -1.26 -4.92 114.28 106.59 1knj n THR 134 Ca 0.00 -3.00 -0.27 0.00 -2.27 0.00 0.00 64.05 58.51 1knj n THR 134 Cb 0.64 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1knj n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1knj n GLU 135 N -1.09 -2.71 -2.62 -0.78 -0.58 -1.26 -0.71 120.64 110.89 1knj n GLU 135 Ca 0.32 0.33 -0.21 0.00 -0.42 0.00 0.00 57.16 57.17 1knj n GLU 135 Cb 0.94 -4.30 0.00 0.00 -0.57 0.00 0.00 31.44 27.51 1knj n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1knj n LYS 136 N -4.45 -2.77 -4.65 3.49 4.01 -1.26 -4.99 118.16 107.54 1knj n LYS 136 Ca -0.31 0.95 -0.29 0.00 -0.51 0.00 0.00 58.31 58.14 1knj n LYS 136 Cb 0.69 -5.67 -0.14 0.00 -0.51 0.00 0.00 35.03 29.40 1knj n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1knj s LEU 137 N -6.23 2.24 0.00 -0.35 1.43 0.12 -4.53 118.68 111.36 1knj s LEU 137 Ca 0.10 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1knj s LEU 137 Cb -0.05 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1knj s LEU 137 CO 0.13 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1knj n GLY 138 N 1.35 -1.48 0.25 -3.19 0.00 -1.26 -0.09 105.19 100.76 1knj n GLY 138 Ca -0.17 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.49 1knj n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1knj h PHE 139 N -0.00 0.00 0.21 1.61 -5.15 -1.95 0.12 116.94 111.77 1knj h PHE 139 Ca -0.00 0.00 -0.35 0.00 -0.20 0.00 0.00 57.97 57.42 1knj h PHE 139 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.19 1knj h PHE 139 CO -0.01 0.00 -1.66 1.79 -2.00 0.00 0.00 178.31 176.43 1knj h THR 140 N 0.00 1.04 -0.85 0.88 1.35 -1.76 -1.59 112.91 111.97 1knj h THR 140 Ca 0.00 -2.56 0.09 0.00 -0.55 0.00 0.00 66.41 63.39 1knj h THR 140 Cb 0.18 2.85 -0.07 0.00 -1.73 0.00 0.00 68.15 69.37 1knj h THR 140 CO 0.00 0.84 0.50 1.23 -0.25 0.00 0.00 175.52 177.84 1knj h GLY 141 N 0.49 1.32 -1.11 5.82 0.00 0.21 -3.33 103.07 106.46 1knj h GLY 141 Ca -0.32 -0.34 -0.46 0.00 0.00 0.00 0.00 47.33 46.21 1knj h GLY 141 CO 0.20 0.16 0.23 0.50 0.00 0.00 0.00 176.54 177.64 1knj s ARG 142 N -6.03 2.20 -0.37 4.80 0.52 -0.49 -4.31 118.95 115.27 1knj s ARG 142 Ca -0.12 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1knj s ARG 142 Cb 0.19 -2.16 0.16 0.00 0.52 0.00 0.00 34.95 33.66 1knj s ARG 142 CO 0.79 -1.24 2.31 0.41 0.02 0.00 0.00 175.30 177.58 1knj n GLY 143 N -2.93 4.24 0.11 -3.53 0.00 -1.26 -4.46 105.19 97.36 1knj n GLY 143 Ca 0.08 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1knj n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1knj h GLU 144 N 2.05 0.18 -2.27 1.61 5.08 -1.56 -3.43 114.58 116.25 1knj h GLU 144 Ca 0.34 -0.23 0.24 0.00 -1.00 0.00 0.00 59.36 58.71 1knj h GLU 144 Cb 0.85 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.12 1knj h GLU 144 CO 0.83 1.01 0.71 0.20 -1.00 0.00 0.00 179.01 180.75 1knj s GLY 145 N -4.56 -0.05 -0.03 -3.84 0.00 -1.10 -0.32 107.32 97.43 1knj s GLY 145 Ca -0.03 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.69 1knj s GLY 145 CO 0.84 3.00 -0.23 -0.42 0.00 0.00 0.00 173.10 176.29 1knj s ILE 146 N -2.24 1.81 0.28 0.90 1.01 -0.29 -4.38 121.20 118.29 1knj s ILE 146 Ca 0.23 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.00 1knj s ILE 146 Cb -0.01 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 1knj s ILE 146 CO 0.02 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.35 1knj s ALA 147 N -0.43 2.53 -0.24 9.38 0.00 -0.75 -1.40 121.76 130.85 1knj s ALA 147 Ca 0.06 -1.90 -0.20 0.00 0.00 0.00 0.00 51.96 49.92 1knj s ALA 147 Cb -0.10 -0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1knj s ALA 147 CO 0.00 0.08 0.63 0.00 0.00 0.00 0.00 175.76 176.47 1knj s GLU 149 N 0.72 1.91 -0.07 0.00 2.02 0.37 -1.68 118.70 121.97 1knj s GLU 149 Ca -0.03 -1.10 -0.06 0.00 0.02 0.00 0.00 54.97 53.80 1knj s GLU 149 Cb -0.05 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 32.05 1knj s GLU 149 CO -0.05 0.50 0.18 0.00 0.02 0.00 0.00 175.26 175.91 1knj s ALA 150 N -1.08 -0.43 0.16 5.21 0.00 -0.01 0.25 121.76 125.86 1knj s ALA 150 Ca 0.17 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.80 1knj s ALA 150 Cb -0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1knj s ALA 150 CO 0.09 -0.10 -0.16 0.14 0.00 0.00 0.00 175.76 175.73 1knj s VAL 151 N 0.34 2.87 0.04 0.00 -7.23 -0.44 -0.54 120.40 115.44 1knj s VAL 151 Ca -0.02 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1knj s VAL 151 Cb -0.03 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1knj s VAL 151 CO -0.01 -0.03 -0.00 0.00 -0.31 0.00 0.00 175.10 174.74 1knj s ALA 152 N -1.49 0.23 -0.12 1.32 0.00 0.82 -1.85 121.76 120.68 1knj s ALA 152 Ca 0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1knj s ALA 152 Cb -0.09 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1knj s ALA 152 CO 0.12 -0.27 0.03 -1.17 0.00 0.00 0.00 175.76 174.46 1knj s LEU 153 N -2.16 0.69 0.23 0.00 0.20 -0.11 -0.45 118.68 117.07 1knj s LEU 153 Ca -0.05 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.49 1knj s LEU 153 Cb -0.01 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.28 1knj s LEU 153 CO -0.05 -0.25 0.19 -0.76 -0.29 0.00 0.00 176.35 175.19 1knj s LEU 154 N 1.98 3.85 0.15 -0.68 1.43 -0.06 -1.48 118.68 123.87 1knj s LEU 154 Ca 0.03 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1knj s LEU 154 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1knj s LEU 154 CO -0.06 -0.01 -0.16 0.27 0.23 0.00 0.00 176.35 176.62 1knj s ILE 155 N -2.01 1.58 -2.77 -0.59 -4.36 0.35 -2.73 121.20 110.67 1knj s ILE 155 Ca 0.32 -1.87 0.22 0.00 -0.26 0.00 0.00 60.65 59.07 1knj s ILE 155 Cb -0.09 -1.73 0.18 0.00 1.25 0.00 0.00 42.46 42.07 1knj s ILE 155 CO 0.25 -0.40 1.20 1.17 0.24 0.00 0.00 174.94 177.40