#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kew s THR 2 N 0.00 5.06 -0.55 1.47 2.01 -0.84 -5.02 115.64 117.77 3kew s THR 2 Ca 0.00 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.29 3kew s THR 2 Cb 0.00 -3.99 0.14 0.00 0.01 0.00 0.00 72.50 68.66 3kew s THR 2 CO 0.00 0.28 0.37 -0.54 -0.69 0.00 0.00 174.62 174.04 3kew s LYS 3 N 0.67 2.43 0.35 4.92 1.02 -1.26 -1.35 119.74 126.52 3kew s LYS 3 Ca 0.35 -2.21 0.08 0.00 0.02 0.00 0.00 55.97 54.21 3kew s LYS 3 Cb -0.17 -3.75 0.66 0.00 -0.52 0.00 0.00 37.83 34.06 3kew s LYS 3 CO 0.17 -1.15 1.85 -0.07 -0.92 0.00 0.00 175.35 175.22 3kew h LEU 4 N 7.57 0.26 -2.18 3.17 3.38 -0.45 -2.95 115.31 124.11 3kew h LEU 4 Ca -0.07 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kew h LEU 4 Cb 1.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3kew h LEU 4 CO 0.73 0.48 0.20 0.10 0.09 0.00 0.00 178.44 180.04 3kew h TYR 5 N 0.25 0.00 -0.01 1.13 -0.00 -1.77 0.20 116.97 116.76 3kew h TYR 5 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.78 3kew h TYR 5 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.23 3kew h TYR 5 CO 0.01 0.00 -0.27 0.66 -0.00 0.00 0.00 178.16 178.55 3kew n TYR 6 N -3.97 0.00 -0.14 0.10 0.53 -1.11 -3.82 117.16 108.75 3kew n TYR 6 Ca 0.02 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.62 3kew n TYR 6 Cb 0.33 -0.07 -0.10 0.00 -1.03 0.00 0.00 39.34 38.47 3kew n TYR 6 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3kew n GLU 7 N -0.26 0.60 -3.49 -0.72 -0.58 0.48 -4.91 120.64 111.75 3kew n GLU 7 Ca 0.12 0.26 -0.21 0.00 -0.42 0.00 0.00 57.16 56.92 3kew n GLU 7 Cb 0.40 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.63 3kew n GLU 7 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3kew s ASP 8 N -7.37 1.90 0.00 1.62 3.68 -0.02 -5.03 116.67 111.45 3kew s ASP 8 Ca -0.38 -0.57 0.20 0.00 2.13 0.00 0.00 52.55 53.93 3kew s ASP 8 Cb 0.14 0.23 0.95 0.00 -1.45 0.00 0.00 42.92 42.78 3kew s ASP 8 CO 0.51 -0.36 1.64 0.00 0.13 0.00 0.00 175.17 177.08 3kew n GLN 9 N 5.30 0.16 0.00 4.34 0.00 -1.25 -2.75 117.38 123.19 3kew n GLN 9 Ca -0.05 0.12 0.12 0.00 0.00 0.00 0.00 57.00 57.19 3kew n GLN 9 Cb 0.47 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.37 3kew n GLN 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kew n TYR 10 N -1.38 0.00 -2.00 2.61 4.02 -1.26 -4.89 117.16 114.27 3kew n TYR 10 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.54 3kew n TYR 10 Cb 0.19 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 3kew n TYR 10 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kew s ILE 11 N -2.24 3.56 -0.14 -0.72 1.01 -1.11 -4.86 121.20 116.70 3kew s ILE 11 Ca 0.25 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.63 3kew s ILE 11 Cb 0.19 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.12 3kew s ILE 11 CO 0.43 -0.10 0.19 2.29 0.00 0.00 0.00 174.94 177.75 3kew n LYS 12 N 7.29 2.55 -4.32 2.79 2.85 -1.26 -4.95 118.16 123.11 3kew n LYS 12 Ca 0.18 -0.03 -0.18 0.00 -1.05 0.00 0.00 58.31 57.23 3kew n LYS 12 Cb 0.43 -0.96 -0.14 0.00 -0.65 0.00 0.00 35.03 33.71 3kew n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kew s GLU 13 N -1.99 0.73 0.26 -1.58 2.02 -1.26 -0.70 118.70 116.18 3kew s GLU 13 Ca -0.00 -0.46 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 3kew s GLU 13 Cb 0.04 -0.69 0.02 0.00 0.10 0.00 0.00 34.13 33.60 3kew s GLU 13 CO 0.24 0.18 0.66 -0.59 0.02 0.00 0.00 175.26 175.77 3kew s PHE 14 N -0.49 -0.12 -0.15 1.61 -0.12 0.18 -5.02 117.98 113.86 3kew s PHE 14 Ca 0.01 -0.29 -0.07 0.00 -0.05 0.00 0.00 56.93 56.53 3kew s PHE 14 Cb -0.05 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3kew s PHE 14 CO 0.00 -1.15 0.08 0.15 -0.05 0.00 0.00 175.22 174.25 3kew s LYS 15 N -3.92 3.68 0.05 1.99 3.01 -1.26 -0.82 119.74 122.47 3kew s LYS 15 Ca 0.12 -0.28 -0.02 0.00 -1.01 0.00 0.00 55.97 54.78 3kew s LYS 15 Cb -0.04 -3.16 -0.03 0.00 -1.01 0.00 0.00 37.83 33.59 3kew s LYS 15 CO 0.05 0.49 0.01 0.20 0.51 0.00 0.00 175.35 176.61 3kew s GLY 16 N -0.24 0.36 -0.11 -3.33 0.00 -0.76 -4.82 107.32 98.43 3kew s GLY 16 Ca 0.09 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3kew s GLY 16 CO 0.01 -1.07 -0.14 1.85 0.00 0.00 0.00 173.10 173.74 3kew s GLU 17 N -3.32 2.12 -0.10 2.90 2.12 -1.26 -0.89 118.70 120.26 3kew s GLU 17 Ca 0.01 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 3kew s GLU 17 Cb 0.03 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 3kew s GLU 17 CO -0.08 -0.07 1.51 0.42 -0.54 0.00 0.00 175.26 176.50 3kew s ILE 18 N 1.02 3.84 -0.13 -3.70 1.01 -0.61 -1.22 121.20 121.41 3kew s ILE 18 Ca -0.06 1.01 0.18 0.00 0.00 0.00 0.00 60.65 61.78 3kew s ILE 18 Cb -0.15 -3.67 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 3kew s ILE 18 CO -0.02 -0.11 0.38 -0.38 0.00 0.00 0.00 174.94 174.82 3kew n ILE 19 N 5.50 1.03 -3.75 2.92 -0.00 -0.13 -4.91 119.36 120.02 3kew n ILE 19 Ca 0.16 -0.73 -0.13 0.00 -0.00 0.00 0.00 62.75 62.05 3kew n ILE 19 Cb 0.44 -0.45 -0.10 0.00 -0.00 0.00 0.00 39.64 39.52 3kew n ILE 19 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3kew s GLU 20 N -2.84 0.51 -0.10 0.38 2.12 -1.24 -4.96 118.70 112.57 3kew s GLU 20 Ca -0.08 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.57 3kew s GLU 20 Cb 0.09 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.74 3kew s GLU 20 CO 0.84 -0.09 -0.10 0.08 -0.54 0.00 0.00 175.26 175.45 3kew s VAL 21 N -0.26 1.12 -0.15 3.70 1.01 -1.26 -2.10 120.40 122.46 3kew s VAL 21 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3kew s VAL 21 Cb -0.03 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.28 3kew s VAL 21 CO 0.02 0.37 -0.16 -0.54 0.00 0.00 0.00 175.10 174.79 3kew s LYS 22 N 1.31 2.50 -0.35 2.72 1.02 -0.60 -4.99 119.74 121.35 3kew s LYS 22 Ca -0.02 -0.64 -0.27 0.00 0.02 0.00 0.00 55.97 55.06 3kew s LYS 22 Cb -0.14 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.97 3kew s LYS 22 CO -0.04 -0.20 0.97 -2.00 -0.92 0.00 0.00 175.35 173.16 3kew s GLU 23 N 1.36 3.92 -0.27 1.68 2.12 -1.26 -0.76 118.70 125.49 3kew s GLU 23 Ca 0.03 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.12 3kew s GLU 23 Cb -0.13 -3.78 0.07 0.00 0.26 0.00 0.00 34.13 30.55 3kew s GLU 23 CO -0.10 -0.93 -0.04 0.42 -0.54 0.00 0.00 175.26 174.06 3kew s ILE 24 N 3.54 1.92 -0.05 -3.70 1.01 -0.19 -4.92 121.20 118.81 3kew s ILE 24 Ca 0.40 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 3kew s ILE 24 Cb -0.12 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3kew s ILE 24 CO 0.18 -0.22 0.07 -0.90 0.00 0.00 0.00 174.94 174.07 3kew n ASP 25 N 4.49 -1.06 0.00 3.58 5.75 -1.26 -2.68 116.55 125.37 3kew n ASP 25 Ca -0.09 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 3kew n ASP 25 Cb 0.43 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3kew n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kew n GLY 26 N 0.26 3.06 3.47 6.12 0.00 -1.26 -5.00 105.19 111.83 3kew n GLY 26 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3kew n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kew s LYS 27 N -0.31 1.69 -0.36 1.61 1.02 -1.09 -4.82 119.74 117.48 3kew s LYS 27 Ca 0.00 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 54.61 3kew s LYS 27 Cb 0.00 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.40 3kew s LYS 27 CO 0.00 0.43 0.11 -0.06 -0.92 0.00 0.00 175.35 174.91 3kew s PHE 28 N -1.47 3.47 -0.46 3.18 0.40 -0.18 -1.02 117.98 121.90 3kew s PHE 28 Ca 0.20 -2.22 -0.27 0.00 -0.60 0.00 0.00 56.93 54.04 3kew s PHE 28 Cb -0.09 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.73 3kew s PHE 28 CO 0.11 -0.90 1.01 -1.01 0.70 0.00 0.00 175.22 175.13 3kew s HIS 29 N 1.17 2.88 0.04 0.36 3.76 0.06 -0.65 115.29 122.92 3kew s HIS 29 Ca 0.03 0.54 0.05 0.00 -0.15 0.00 0.00 55.06 55.53 3kew s HIS 29 Cb -0.21 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.29 3kew s HIS 29 CO -0.03 -1.16 -0.10 0.14 -0.85 0.00 0.00 174.74 172.74 3kew s VAL 30 N 4.04 3.38 0.07 -0.90 -7.23 0.11 -1.56 120.40 118.31 3kew s VAL 30 Ca 0.42 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3kew s VAL 30 Cb -0.09 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3kew s VAL 30 CO 0.28 0.30 0.15 -0.22 -0.31 0.00 0.00 175.10 175.31 3kew s LEU 31 N -1.65 4.10 0.15 1.32 0.20 -0.89 -0.61 118.68 121.31 3kew s LEU 31 Ca 0.18 0.14 0.09 0.00 0.69 0.00 0.00 54.13 55.22 3kew s LEU 31 Cb -0.11 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 3kew s LEU 31 CO 0.09 0.17 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.36 3kew s LEU 32 N -2.49 2.40 0.20 -0.68 1.02 -1.26 -0.96 118.68 116.91 3kew s LEU 32 Ca 0.32 -0.82 -0.08 0.00 0.02 0.00 0.00 54.13 53.57 3kew s LEU 32 Cb -0.13 -0.89 0.13 0.00 0.02 0.00 0.00 46.19 45.32 3kew s LEU 32 CO 0.25 0.01 1.70 -2.24 0.02 0.00 0.00 176.35 176.09 3kew h ASP 33 N 3.44 1.05 -3.99 2.29 -0.00 -1.53 -3.44 116.42 114.23 3kew h ASP 33 Ca -0.44 -0.25 -0.20 0.00 -0.00 0.00 0.00 57.03 56.15 3kew h ASP 33 Cb 1.20 -0.28 -0.26 0.00 -0.00 0.00 0.00 39.33 39.99 3kew h ASP 33 CO 0.48 1.04 -0.61 0.00 -0.00 0.00 0.00 179.24 180.14 3kew s GLN 34 N -5.21 0.16 0.00 4.15 -2.07 -1.26 -1.99 119.66 113.44 3kew s GLN 34 Ca -0.12 0.00 -0.00 0.00 -1.82 0.00 0.00 55.36 53.43 3kew s GLN 34 Cb 0.14 0.07 -0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3kew s GLN 34 CO 0.85 -0.03 -0.00 -0.08 -1.32 0.00 0.00 175.29 174.71 3kew s THR 35 N -0.23 0.03 -1.93 3.63 -1.32 -0.45 -4.77 115.64 110.59 3kew s THR 35 Ca -0.03 -0.21 0.18 0.00 -1.21 0.00 0.00 61.69 60.42 3kew s THR 35 Cb -0.02 -0.07 0.34 0.00 -1.51 0.00 0.00 72.50 71.24 3kew s THR 35 CO 0.00 -0.12 1.27 0.00 -2.21 0.00 0.00 174.62 173.56 3kew n ALA 36 N 2.73 2.38 -2.62 11.08 0.00 -1.26 0.37 120.51 133.19 3kew n ALA 36 Ca -0.15 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 3kew n ALA 36 Cb 0.59 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 3kew n ALA 36 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kew s PHE 37 N -1.27 2.98 0.05 0.00 0.08 -1.26 -4.55 117.98 114.02 3kew s PHE 37 Ca 0.31 0.95 -0.31 0.00 0.12 0.00 0.00 56.93 58.00 3kew s PHE 37 Cb 0.18 -4.06 -0.06 0.00 -0.57 0.00 0.00 43.02 38.51 3kew s PHE 37 CO 0.25 -1.02 1.31 0.12 -0.10 0.00 0.00 175.22 175.78 3kew s PHE 38 N 4.05 3.20 -0.65 0.36 5.99 -1.26 -4.89 117.98 124.78 3kew s PHE 38 Ca 0.47 1.05 0.26 0.00 0.00 0.00 0.00 56.93 58.71 3kew s PHE 38 Cb -0.10 -3.57 0.82 0.00 0.00 0.00 0.00 43.02 40.18 3kew s PHE 38 CO 0.24 -1.95 1.76 -1.00 -0.00 0.00 0.00 175.22 174.27 3kew h PRO 39 N 7.12 0.00 0.00 10.12 0.13 -1.91 0.30 132.00 147.77 3kew h PRO 39 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kew h PRO 39 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3kew h PRO 39 CO 0.86 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 3kew n GLY 40 N 1.03 3.07 0.00 1.56 0.00 -1.26 -4.12 105.19 105.47 3kew n GLY 40 Ca 0.05 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3kew n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 41 N -0.39 3.73 2.56 -0.02 0.00 -0.58 -4.94 105.19 105.55 3kew n GLY 41 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3kew n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 42 N -0.97 1.50 0.00 -0.02 0.00 -1.26 -1.78 105.19 102.65 3kew n GLY 42 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kew n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kew n GLY 43 N -0.56 0.34 3.80 -0.02 0.00 -1.26 -4.86 105.19 102.64 3kew n GLY 43 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3kew n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kew s GLN 44 N -0.97 4.04 0.78 1.61 0.74 -0.74 -4.44 119.66 120.68 3kew s GLN 44 Ca 0.00 0.41 -0.11 0.00 0.05 0.00 0.00 55.36 55.71 3kew s GLN 44 Cb 0.00 -3.28 0.06 0.00 1.10 0.00 0.00 33.01 30.89 3kew s GLN 44 CO 0.00 0.55 1.10 -1.64 -0.55 0.00 0.00 175.29 174.75 3kew s MET 45 N -0.62 2.20 0.74 1.67 -1.94 -1.26 -1.52 119.30 118.56 3kew s MET 45 Ca 0.24 1.22 -0.06 0.00 -1.71 0.00 0.00 55.69 55.38 3kew s MET 45 Cb -0.16 -1.89 0.11 0.00 2.01 0.00 0.00 34.83 34.90 3kew s MET 45 CO 0.12 -1.70 1.04 0.20 -0.01 0.00 0.00 175.02 174.68 3kew s GLY 46 N -3.28 1.74 0.57 -0.03 0.00 -1.26 -4.40 107.32 100.67 3kew s GLY 46 Ca 0.62 -1.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 3kew s GLY 46 CO 0.55 -0.75 0.89 0.99 0.00 0.00 0.00 173.10 174.78 3kew s ASP 47 N -4.65 5.78 0.42 1.64 1.01 0.11 -4.91 116.67 116.07 3kew s ASP 47 Ca 0.64 0.83 0.04 0.00 0.71 0.00 0.00 52.55 54.78 3kew s ASP 47 Cb -0.08 -1.90 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 3kew s ASP 47 CO 0.46 -0.95 0.15 0.18 0.21 0.00 0.00 175.17 175.21 3kew n LEU 48 N -2.54 0.00 0.00 1.23 4.77 -1.26 -4.23 117.00 114.97 3kew n LEU 48 Ca 0.04 -3.19 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 3kew n LEU 48 Cb 0.57 1.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.72 3kew n LEU 48 CO 0.53 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3kew n GLY 49 N -0.87 0.26 2.98 -0.72 0.00 -1.22 -1.49 105.19 104.13 3kew n GLY 49 Ca -0.06 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 3kew n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kew s LEU 50 N 0.00 1.89 -0.21 0.99 1.43 -0.09 -0.31 118.68 122.38 3kew s LEU 50 Ca 0.00 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3kew s LEU 50 Cb 0.00 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.86 3kew s LEU 50 CO 0.00 0.07 -0.13 -0.63 0.23 0.00 0.00 176.35 175.89 3kew s ILE 51 N 0.02 1.85 -1.51 -0.59 1.01 -0.25 -0.99 121.20 120.75 3kew s ILE 51 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 3kew s ILE 51 Cb -0.05 -1.87 0.08 0.00 0.01 0.00 0.00 42.46 40.63 3kew s ILE 51 CO -0.00 0.22 0.90 -0.67 0.00 0.00 0.00 174.94 175.39 3kew n ASP 52 N 4.62 -3.97 0.00 3.58 2.03 -0.31 -1.16 116.55 121.34 3kew n ASP 52 Ca -0.16 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.34 3kew n ASP 52 Cb 0.46 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 3kew n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kew n GLY 53 N -1.67 1.11 3.70 0.27 0.00 -1.26 -4.99 105.19 102.35 3kew n GLY 53 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3kew n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kew s ILE 54 N -3.04 5.28 0.07 -0.61 1.01 -0.31 -5.04 121.20 118.56 3kew s ILE 54 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 3kew s ILE 54 Cb 0.00 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 3kew s ILE 54 CO 0.00 0.33 1.34 -1.59 0.00 0.00 0.00 174.94 175.03 3kew s LYS 55 N 0.86 4.34 -0.22 2.79 -2.85 -1.26 -1.09 119.74 122.31 3kew s LYS 55 Ca 0.16 1.97 -0.28 0.00 -1.00 0.00 0.00 55.97 56.82 3kew s LYS 55 Cb -0.14 -3.35 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 3kew s LYS 55 CO 0.05 -0.42 0.97 0.08 0.10 0.00 0.00 175.35 176.13 3kew s VAL 56 N 1.41 4.74 -0.11 1.79 1.01 0.58 -2.61 120.40 127.20 3kew s VAL 56 Ca 0.63 1.90 0.20 0.00 0.00 0.00 0.00 61.98 64.71 3kew s VAL 56 Cb -0.34 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.50 3kew s VAL 56 CO 0.29 -0.13 0.33 0.18 0.00 0.00 0.00 175.10 175.77 3kew n LEU 57 N 6.07 0.04 -3.60 3.92 4.77 0.48 -3.46 117.00 125.23 3kew n LEU 57 Ca 0.10 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 3kew n LEU 57 Cb 0.47 0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 3kew n LEU 57 CO 0.51 0.21 0.35 -0.62 -1.33 0.00 0.00 177.39 176.51 3kew s ASP 58 N -4.98 -0.60 -0.05 -1.43 2.15 -1.24 -5.00 116.67 105.52 3kew s ASP 58 Ca -0.09 0.82 0.01 0.00 0.43 0.00 0.00 52.55 53.73 3kew s ASP 58 Cb 0.10 0.76 0.02 0.00 -0.30 0.00 0.00 42.92 43.50 3kew s ASP 58 CO 0.87 -0.46 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.65 3kew s VAL 59 N -0.72 0.68 0.08 1.11 1.01 -1.26 -0.74 120.40 120.57 3kew s VAL 59 Ca -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 3kew s VAL 59 Cb -0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3kew s VAL 59 CO 0.06 0.25 0.02 -0.72 0.00 0.00 0.00 175.10 174.72 3kew s TYR 60 N 0.79 0.62 -0.13 5.22 1.13 -0.84 -4.67 117.35 119.47 3kew s TYR 60 Ca -0.12 -1.09 -0.01 0.00 -1.41 0.00 0.00 57.07 54.44 3kew s TYR 60 Cb -0.14 -0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 3kew s TYR 60 CO 0.01 -0.45 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.49 3kew s GLU 61 N -3.96 3.37 -0.09 -3.49 2.12 -1.26 -0.21 118.70 115.18 3kew s GLU 61 Ca 0.13 -0.65 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3kew s GLU 61 Cb 0.08 -2.66 0.03 0.00 0.26 0.00 0.00 34.13 31.83 3kew s GLU 61 CO -0.06 0.26 0.01 -2.00 -0.54 0.00 0.00 175.26 172.93 3kew s GLU 62 N 0.25 0.60 -1.42 4.30 2.12 0.07 -4.86 118.70 119.77 3kew s GLU 62 Ca -0.08 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 3kew s GLU 62 Cb -0.15 -1.10 0.04 0.00 0.26 0.00 0.00 34.13 33.18 3kew s GLU 62 CO 0.05 -0.34 0.89 0.39 -0.54 0.00 0.00 175.26 175.70 3kew n GLU 63 N 5.14 -5.54 -1.01 4.30 1.02 -1.26 -2.03 120.64 121.26 3kew n GLU 63 Ca -0.07 0.64 -0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3kew n GLU 63 Cb 0.50 -5.41 -0.00 0.00 -0.02 0.00 0.00 31.44 26.50 3kew n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kew n GLY 64 N -1.66 0.47 3.11 0.62 0.00 -1.26 -5.03 105.19 101.45 3kew n GLY 64 Ca -0.11 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3kew n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kew s LYS 65 N -0.81 2.09 -0.30 1.61 1.02 -0.86 -4.92 119.74 117.57 3kew s LYS 65 Ca 0.00 -0.61 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 3kew s LYS 65 Cb 0.00 -1.70 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3kew s LYS 65 CO 0.00 0.14 0.60 0.08 -0.92 0.00 0.00 175.35 175.25 3kew s VAL 66 N 0.37 4.97 -0.12 3.17 1.01 -1.26 -0.75 120.40 127.79 3kew s VAL 66 Ca -0.12 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 3kew s VAL 66 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3kew s VAL 66 CO 0.05 -0.09 0.00 -0.31 0.00 0.00 0.00 175.10 174.75 3kew s TYR 67 N 2.52 3.15 -0.20 5.22 1.51 0.71 -4.41 117.35 125.86 3kew s TYR 67 Ca 0.24 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.34 3kew s TYR 67 Cb -0.15 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3kew s TYR 67 CO 0.11 0.31 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.79 3kew s HIS 68 N -0.40 2.94 -0.43 2.71 3.76 0.22 -1.99 115.29 122.11 3kew s HIS 68 Ca 0.08 -0.82 -0.22 0.00 -0.15 0.00 0.00 55.06 53.95 3kew s HIS 68 Cb -0.12 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.55 3kew s HIS 68 CO 0.02 -0.43 0.71 0.08 -0.85 0.00 0.00 174.74 174.27 3kew s VAL 69 N 1.16 4.76 -0.09 -0.90 1.01 0.08 0.07 120.40 126.49 3kew s VAL 69 Ca 0.02 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3kew s VAL 69 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3kew s VAL 69 CO -0.01 -0.59 0.13 -0.76 0.00 0.00 0.00 175.10 173.86 3kew s LEU 70 N 3.01 4.27 0.39 3.92 1.43 0.17 -0.38 118.68 131.50 3kew s LEU 70 Ca 0.26 0.39 0.21 0.00 -1.03 0.00 0.00 54.13 53.97 3kew s LEU 70 Cb -0.13 -2.15 0.35 0.00 0.03 0.00 0.00 46.19 44.30 3kew s LEU 70 CO 0.20 0.37 1.59 1.05 0.23 0.00 0.00 176.35 179.79 3kew h GLU 71 N 4.75 0.00 -5.69 1.70 4.11 -1.81 -0.45 114.58 117.20 3kew h GLU 71 Ca -0.53 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.36 3kew h GLU 71 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 3kew h GLU 71 CO 0.60 0.18 -0.69 0.15 0.07 0.00 0.00 179.01 179.32 3kew s LYS 72 N -3.19 1.63 0.00 1.06 1.02 -1.26 -4.82 119.74 114.18 3kew s LYS 72 Ca 0.05 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.92 3kew s LYS 72 Cb 0.06 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 3kew s LYS 72 CO 0.68 0.10 1.19 -2.00 -0.92 0.00 0.00 175.35 174.40 3kew s GLU 73 N -3.67 4.40 0.35 1.68 2.12 -1.26 -4.71 118.70 117.61 3kew s GLU 73 Ca 0.30 1.71 -0.28 0.00 0.36 0.00 0.00 54.97 57.05 3kew s GLU 73 Cb 0.02 -3.46 -0.11 0.00 0.26 0.00 0.00 34.13 30.85 3kew s GLU 73 CO 0.13 -0.34 1.40 -1.25 -0.54 0.00 0.00 175.26 174.66 3kew s PRO 74 N 1.63 4.23 0.00 4.30 0.04 -1.26 -4.98 135.00 138.95 3kew s PRO 74 Ca 0.57 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3kew s PRO 74 Cb -0.27 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3kew s PRO 74 CO 0.26 -0.37 0.00 1.63 0.04 0.00 0.00 177.00 178.56 3kew n LYS 75 N 0.62 0.00 -2.10 4.56 4.01 -1.26 -5.00 118.16 118.99 3kew n LYS 75 Ca 0.00 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.41 3kew n LYS 75 Cb 0.40 -0.13 -0.01 0.00 -0.51 0.00 0.00 35.03 34.78 3kew n LYS 75 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3kew s LYS 76 N -0.43 4.08 0.00 1.97 2.20 -1.26 -4.97 119.74 121.32 3kew s LYS 76 Ca 0.00 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 3kew s LYS 76 Cb 0.00 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 3kew s LYS 76 CO 0.00 -0.39 0.18 1.47 -0.36 0.00 0.00 175.35 176.25 3kew n LEU 77 N 0.30 0.36 -4.54 5.43 -0.00 -1.26 -4.99 117.00 112.31 3kew n LEU 77 Ca 0.03 -0.40 -0.30 0.00 -0.00 0.00 0.00 56.01 55.34 3kew n LEU 77 Cb 0.43 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.75 3kew n LEU 77 CO 0.56 0.09 -0.45 -0.54 -0.00 0.00 0.00 177.39 177.05 3kew s LYS 78 N -0.07 2.04 -1.33 1.47 1.02 -1.26 -1.57 119.74 120.04 3kew s LYS 78 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 3kew s LYS 78 Cb 0.00 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3kew s LYS 78 CO 0.00 0.51 0.74 -1.71 -0.92 0.00 0.00 175.35 173.96 3kew n ASN 79 N 0.88 -1.60 -4.79 2.83 5.15 -1.20 -4.94 115.26 111.59 3kew n ASN 79 Ca -0.14 -0.81 -0.39 0.00 -0.60 0.00 0.00 54.58 52.64 3kew n ASN 79 Cb 0.52 -4.05 -0.06 0.00 -0.53 0.00 0.00 39.78 35.66 3kew n ASN 79 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kew s LEU 80 N -6.75 4.51 -0.29 1.20 1.43 -0.07 -4.84 118.68 113.88 3kew s LEU 80 Ca 0.08 1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 3kew s LEU 80 Cb -0.04 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 3kew s LEU 80 CO 0.81 0.22 1.43 -1.10 0.23 0.00 0.00 176.35 177.95 3kew s GLN 81 N -0.88 3.82 -0.13 1.70 -1.52 -1.26 -1.82 119.66 119.56 3kew s GLN 81 Ca 0.31 1.36 0.02 0.00 -1.95 0.00 0.00 55.36 55.09 3kew s GLN 81 Cb -0.20 -3.96 0.00 0.00 -0.22 0.00 0.00 33.01 28.64 3kew s GLN 81 CO 0.20 -1.25 -0.20 0.00 -0.25 0.00 0.00 175.29 173.79 3kew s GLU 83 N 0.60 0.82 0.47 0.00 -1.05 -0.16 -0.65 118.70 118.74 3kew s GLU 83 Ca -0.11 -0.22 -0.21 0.00 -0.15 0.00 0.00 54.97 54.29 3kew s GLU 83 Cb -0.16 -0.79 -0.09 0.00 -0.44 0.00 0.00 34.13 32.65 3kew s GLU 83 CO 0.03 0.05 1.02 -0.51 0.95 0.00 0.00 175.26 176.81 3kew s LEU 84 N 0.37 3.87 -0.69 1.83 1.43 0.12 -0.91 118.68 124.70 3kew s LEU 84 Ca -0.05 1.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.68 3kew s LEU 84 Cb -0.09 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 3kew s LEU 84 CO 0.00 -0.70 1.81 -0.62 0.23 0.00 0.00 176.35 177.07 3kew s ASP 85 N -2.00 5.36 0.26 2.29 -1.08 -0.55 -4.86 116.67 116.09 3kew s ASP 85 Ca 0.66 0.03 0.08 0.00 -0.52 0.00 0.00 52.55 52.80 3kew s ASP 85 Cb -0.15 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.07 3kew s ASP 85 CO 0.19 -2.37 1.58 -0.25 0.52 0.00 0.00 175.17 174.84 3kew h TRP 86 N 13.68 0.10 -0.34 -5.34 2.91 -1.92 -2.72 115.95 122.32 3kew h TRP 86 Ca -0.18 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.79 3kew h TRP 86 Cb 1.12 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.74 3kew h TRP 86 CO 1.09 0.68 0.18 0.93 -1.03 0.00 0.00 178.44 180.29 3kew h GLU 87 N 0.05 0.47 -0.40 2.65 3.07 -1.99 0.04 114.58 118.48 3kew h GLU 87 Ca -0.01 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 3kew h GLU 87 Cb 1.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 3kew h GLU 87 CO 0.09 0.41 0.21 -0.09 -1.40 0.00 0.00 179.01 178.22 3kew h ARG 88 N 0.42 0.57 0.49 2.33 2.43 -1.97 -1.58 114.38 117.05 3kew h ARG 88 Ca 0.12 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kew h ARG 88 Cb 0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3kew h ARG 88 CO -0.02 0.48 -0.42 -0.09 -1.51 0.00 0.00 179.97 178.41 3kew h ARG 89 N 0.51 -0.87 -0.50 0.20 1.12 -1.25 -2.68 114.38 110.92 3kew h ARG 89 Ca 0.14 0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.98 3kew h ARG 89 Cb 0.08 0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 3kew h ARG 89 CO -0.02 -0.58 -0.06 0.35 -3.11 0.00 0.00 179.97 176.55 3kew h PHE 90 N -0.90 0.97 -0.19 2.20 3.57 -0.98 -1.25 116.94 120.36 3kew h PHE 90 Ca -0.05 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.33 3kew h PHE 90 Cb 0.78 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 3kew h PHE 90 CO -0.19 0.91 -0.18 0.22 -2.23 0.00 0.00 178.31 176.84 3kew h ASP 91 N 0.81 -0.56 -0.60 0.41 3.58 -1.25 -0.01 116.42 118.80 3kew h ASP 91 Ca 0.14 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3kew h ASP 91 Cb 0.57 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 3kew h ASP 91 CO 0.03 -0.22 0.22 1.23 -2.88 0.00 0.00 179.24 177.63 3kew h GLY 92 N -0.20 1.01 0.86 -0.78 0.00 -1.17 -1.74 103.07 101.06 3kew h GLY 92 Ca 0.12 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.92 3kew h GLY 92 CO -0.30 0.51 0.19 -0.33 0.00 0.00 0.00 176.54 176.61 3kew h MET 93 N 0.92 0.37 -0.34 4.80 2.86 -0.71 -2.45 114.93 120.38 3kew h MET 93 Ca 0.21 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3kew h MET 93 Cb 0.22 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kew h MET 93 CO -0.01 0.25 0.05 1.96 1.06 0.00 0.00 176.91 180.22 3kew h GLN 94 N 0.38 0.57 -0.43 1.72 4.20 -0.71 -2.38 115.11 118.46 3kew h GLN 94 Ca 0.14 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3kew h GLN 94 Cb 0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3kew h GLN 94 CO -0.09 0.65 0.07 1.96 -0.67 0.00 0.00 178.83 180.75 3kew h GLN 95 N 0.40 0.66 -0.00 1.46 1.08 -1.30 0.15 115.11 117.55 3kew h GLN 95 Ca 0.10 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kew h GLN 95 Cb 0.35 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3kew h GLN 95 CO 0.01 0.63 -0.01 1.25 -0.95 0.00 0.00 178.83 179.76 3kew h HIS 96 N 0.64 0.01 -0.62 2.96 2.76 -1.40 -2.17 115.15 117.33 3kew h HIS 96 Ca 0.14 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3kew h HIS 96 Cb 0.30 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3kew h HIS 96 CO 0.01 0.65 0.16 1.25 -1.30 0.00 0.00 177.93 178.70 3kew h LEU 97 N -0.63 0.89 -0.61 0.26 5.85 -1.42 -2.32 115.31 117.35 3kew h LEU 97 Ca -0.00 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.68 3kew h LEU 97 Cb 0.65 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 3kew h LEU 97 CO 0.00 0.86 0.04 1.23 -0.34 0.00 0.00 178.44 180.23 3kew h GLY 98 N 1.03 0.69 0.88 3.75 0.00 -0.70 0.16 103.07 108.88 3kew h GLY 98 Ca 0.20 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3kew h GLY 98 CO -0.00 -0.18 -0.02 -1.61 0.00 0.00 0.00 176.54 174.73 3kew h GLN 99 N 0.15 -0.01 -0.83 4.80 -0.00 -1.07 -2.09 115.11 116.07 3kew h GLN 99 Ca 0.32 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 59.02 3kew h GLN 99 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.94 3kew h GLN 99 CO -0.49 -0.00 0.52 0.45 0.00 0.00 0.00 178.83 179.31 3kew h HIS 100 N -0.01 0.97 0.07 3.99 3.86 -0.84 -0.86 115.15 122.33 3kew h HIS 100 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3kew h HIS 100 Cb 0.05 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3kew h HIS 100 CO -0.12 0.52 -0.03 1.25 0.86 0.00 0.00 177.93 180.41 3kew h LEU 101 N 0.98 -0.08 -0.21 2.43 5.85 -0.60 -1.19 115.31 122.50 3kew h LEU 101 Ca 0.35 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3kew h LEU 101 Cb 0.10 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kew h LEU 101 CO -0.15 0.06 0.14 -0.07 -0.34 0.00 0.00 178.44 178.08 3kew h LEU 102 N -0.21 0.24 -0.63 2.25 3.38 -1.23 0.07 115.31 119.18 3kew h LEU 102 Ca -0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3kew h LEU 102 Cb 0.18 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3kew h LEU 102 CO 0.02 0.18 0.29 0.28 0.09 0.00 0.00 178.44 179.30 3kew h SER 103 N 0.28 0.37 -0.03 -0.43 0.02 -1.14 0.13 113.55 112.75 3kew h SER 103 Ca 0.08 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3kew h SER 103 Cb -0.02 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3kew h SER 103 CO -0.02 0.23 -0.33 1.23 -1.14 0.00 0.00 176.83 176.80 3kew h GLY 104 N 0.52 0.54 0.77 -3.77 0.00 -0.82 -2.29 103.07 98.02 3kew h GLY 104 Ca 0.31 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3kew h GLY 104 CO -0.25 0.44 -0.19 0.00 0.00 0.00 0.00 176.54 176.54 3kew h PHE 106 N 0.03 0.97 -0.11 0.00 0.04 -0.69 0.01 116.94 117.20 3kew h PHE 106 Ca 0.02 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.68 3kew h PHE 106 Cb 0.75 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.60 3kew h PHE 106 CO 0.09 0.43 -0.49 -0.92 -0.60 0.00 0.00 178.31 176.82 3kew h TYR 107 N 0.91 0.70 -0.48 -0.55 3.20 -1.30 -1.66 116.97 117.78 3kew h TYR 107 Ca 0.41 -0.30 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3kew h TYR 107 Cb 0.32 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3kew h TYR 107 CO -0.04 1.08 0.17 0.22 -1.64 0.00 0.00 178.16 177.95 3kew h ASP 108 N 0.12 0.69 0.01 -2.11 1.82 -0.93 -0.88 116.42 115.14 3kew h ASP 108 Ca -0.03 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.39 3kew h ASP 108 Cb 1.13 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.96 3kew h ASP 108 CO 0.10 0.70 -0.10 -0.07 -1.61 0.00 0.00 179.24 178.27 3kew h LEU 109 N 0.65 0.07 -0.94 2.28 3.38 -1.09 -3.41 115.31 116.23 3kew h LEU 109 Ca 0.16 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3kew h LEU 109 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kew h LEU 109 CO -0.01 0.97 -0.01 0.49 0.09 0.00 0.00 178.44 179.97 3kew n PHE 110 N -4.59 0.00 -1.31 1.13 3.72 -0.66 -4.99 117.46 110.76 3kew n PHE 110 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.19 3kew n PHE 110 Cb 0.48 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 3kew n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kew n GLY 111 N 0.26 1.19 3.69 1.37 0.00 -0.34 -4.97 105.19 106.40 3kew n GLY 111 Ca 0.01 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3kew n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kew s ALA 112 N -2.35 3.44 0.28 4.61 0.00 -1.02 -4.88 121.76 121.85 3kew s ALA 112 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 3kew s ALA 112 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 3kew s ALA 112 CO 0.00 -0.31 0.58 -0.80 0.00 0.00 0.00 175.76 175.23 3kew s ASN 113 N 0.95 6.52 -0.02 0.00 0.01 -1.26 -2.98 114.94 118.16 3kew s ASN 113 Ca 0.33 0.84 -0.11 0.00 -0.71 0.00 0.00 52.86 53.21 3kew s ASN 113 Cb -0.17 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 3kew s ASN 113 CO 0.14 -0.18 0.33 -0.89 -1.51 0.00 0.00 177.10 174.99 3kew s THR 114 N -2.02 5.18 0.00 1.60 2.01 -1.26 -0.45 115.64 120.69 3kew s THR 114 Ca 0.46 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.03 3kew s THR 114 Cb -0.11 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3kew s THR 114 CO 0.27 0.53 0.35 0.00 -0.69 0.00 0.00 174.62 175.08 3kew s GLY 116 N -0.11 -0.33 0.01 0.00 0.00 -1.24 -4.97 107.32 100.68 3kew s GLY 116 Ca 0.00 1.28 -0.28 0.00 0.00 0.00 0.00 44.72 45.72 3kew s GLY 116 CO 0.00 0.39 0.65 -0.11 0.00 0.00 0.00 173.10 174.03 3kew s PHE 117 N -2.47 -0.61 -0.07 1.90 -0.12 -1.26 -0.72 117.98 114.62 3kew s PHE 117 Ca 0.11 0.89 -0.03 0.00 -0.05 0.00 0.00 56.93 57.84 3kew s PHE 117 Cb 0.01 0.44 0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3kew s PHE 117 CO -0.04 -0.67 0.16 -1.58 -0.05 0.00 0.00 175.22 173.04 3kew s HIS 118 N -1.89 -0.19 -0.35 3.49 2.46 -0.26 -4.97 115.29 113.57 3kew s HIS 118 Ca -0.08 0.54 -0.08 0.00 0.47 0.00 0.00 55.06 55.92 3kew s HIS 118 Cb -0.00 -0.08 0.04 0.00 -0.13 0.00 0.00 32.58 32.41 3kew s HIS 118 CO 0.04 -0.19 0.14 -0.51 -2.47 0.00 0.00 174.74 171.75 3kew s LEU 119 N 1.31 4.50 0.50 8.88 1.43 -1.26 -0.34 118.68 133.69 3kew s LEU 119 Ca -0.08 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 51.93 3kew s LEU 119 Cb -0.11 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3kew s LEU 119 CO -0.06 -0.36 0.30 -0.83 0.23 0.00 0.00 176.35 175.62 3kew s GLY 120 N 1.50 2.43 0.12 -3.19 0.00 -0.65 -4.88 107.32 102.65 3kew s GLY 120 Ca -0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 3kew s GLY 120 CO 0.04 -1.94 1.28 1.70 0.00 0.00 0.00 173.10 174.17 3kew h LYS 121 N 1.01 0.34 0.00 2.90 1.63 -2.02 -3.37 116.57 117.07 3kew h LYS 121 Ca -0.40 -0.41 -0.26 0.00 -0.85 0.00 0.00 60.65 58.73 3kew h LYS 121 Cb 1.29 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 33.01 3kew h LYS 121 CO 0.62 1.11 -1.42 0.39 -3.45 0.00 0.00 179.45 176.70 3kew n GLU 122 N -3.68 0.56 -4.22 1.90 -0.58 -1.26 -5.03 120.64 108.34 3kew n GLU 122 Ca -0.07 0.53 -0.13 0.00 -0.42 0.00 0.00 57.16 57.08 3kew n GLU 122 Cb 0.88 -1.71 -0.10 0.00 -0.57 0.00 0.00 31.44 29.94 3kew n GLU 122 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3kew s ILE 123 N -2.38 0.74 0.09 -3.67 1.10 -1.26 -5.07 121.20 110.75 3kew s ILE 123 Ca -0.30 -1.97 0.07 0.00 -0.51 0.00 0.00 60.65 57.93 3kew s ILE 123 Cb 0.07 -1.94 -0.03 0.00 0.15 0.00 0.00 42.46 40.70 3kew s ILE 123 CO 0.56 -0.64 -0.17 -0.44 -2.11 0.00 0.00 174.94 172.14 3kew s SER 124 N -3.13 2.13 0.18 4.50 0.01 -1.22 -1.63 113.70 114.54 3kew s SER 124 Ca 0.19 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.86 3kew s SER 124 Cb 0.05 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 3kew s SER 124 CO 0.01 -0.02 -0.17 0.42 0.41 0.00 0.00 173.24 173.89 3kew s THR 125 N -1.31 1.77 -0.01 1.44 -4.23 0.53 -1.43 115.64 112.40 3kew s THR 125 Ca 0.03 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3kew s THR 125 Cb -0.09 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 71.85 3kew s THR 125 CO 0.03 -0.42 -0.04 0.54 -0.54 0.00 0.00 174.62 174.19 3kew s VAL 126 N -2.39 0.35 -0.22 2.29 0.11 -0.67 -1.10 120.40 118.76 3kew s VAL 126 Ca 0.18 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 3kew s VAL 126 Cb -0.04 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3kew s VAL 126 CO 0.07 0.13 0.08 -1.81 -3.33 0.00 0.00 175.10 170.23 3kew s ASP 127 N 0.22 5.42 -0.10 3.54 1.01 0.10 -0.54 116.67 126.32 3kew s ASP 127 Ca -0.02 -0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 3kew s ASP 127 Cb -0.06 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3kew s ASP 127 CO -0.00 0.05 -0.06 -0.63 0.21 0.00 0.00 175.17 174.74 3kew s ILE 128 N 1.09 3.73 0.02 0.77 -1.09 -0.45 -1.63 121.20 123.65 3kew s ILE 128 Ca 0.05 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 3kew s ILE 128 Cb -0.14 -2.57 -0.06 0.00 -1.58 0.00 0.00 42.46 38.11 3kew s ILE 128 CO 0.03 0.56 1.42 -0.69 -1.23 0.00 0.00 174.94 175.03 3kew s VAL 129 N -0.31 3.59 0.00 2.92 1.01 0.40 -0.21 120.40 127.80 3kew s VAL 129 Ca 0.05 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3kew s VAL 129 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3kew s VAL 129 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3kew n GLY 130 N 3.65 1.15 3.75 4.51 0.00 -0.11 -4.60 105.19 113.54 3kew n GLY 130 Ca 0.13 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3kew n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kew s PHE 131 N -1.75 3.83 -0.05 1.61 5.36 -1.26 -3.05 117.98 122.68 3kew s PHE 131 Ca 0.00 1.82 0.03 0.00 -0.96 0.00 0.00 56.93 57.82 3kew s PHE 131 Cb 0.00 -3.09 0.01 0.00 -0.34 0.00 0.00 43.02 39.60 3kew s PHE 131 CO 0.00 0.09 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.20 3kew s LEU 132 N -1.02 1.78 0.72 6.12 1.43 -1.26 -5.05 118.68 121.40 3kew s LEU 132 Ca 0.43 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3kew s LEU 132 Cb -0.27 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.15 3kew s LEU 132 CO 0.34 0.09 1.08 1.51 0.23 0.00 0.00 176.35 179.59 3kew s ASP 133 N 0.34 5.11 0.28 2.29 1.47 -1.26 -4.94 116.67 119.96 3kew s ASP 133 Ca -0.09 0.86 -0.02 0.00 1.18 0.00 0.00 52.55 54.48 3kew s ASP 133 Cb -0.13 -1.58 0.41 0.00 -0.34 0.00 0.00 42.92 41.28 3kew s ASP 133 CO 0.03 -1.50 1.92 -0.08 0.68 0.00 0.00 175.17 176.22 3kew h GLU 134 N -0.68 1.15 -0.23 2.11 4.81 -2.01 -2.70 114.58 117.03 3kew h GLU 134 Ca -0.45 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3kew h GLU 134 Cb 1.29 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 3kew h GLU 134 CO 0.63 0.76 -0.09 -0.22 -0.73 0.00 0.00 179.01 179.36 3kew h LYS 135 N 1.18 -0.06 -0.29 1.92 3.64 -1.99 -0.67 116.57 120.31 3kew h LYS 135 Ca 0.38 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.60 3kew h LYS 135 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3kew h LYS 135 CO -0.12 -0.04 -0.46 1.79 -2.27 0.00 0.00 179.45 178.36 3kew h THR 136 N -0.06 1.29 -0.07 1.00 1.35 -1.90 -1.50 112.91 113.02 3kew h THR 136 Ca 0.12 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3kew h THR 136 Cb 0.24 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3kew h THR 136 CO -0.27 0.53 0.04 0.40 -0.25 0.00 0.00 175.52 175.98 3kew h ILE 137 N 0.60 1.08 -0.03 6.82 2.04 -1.32 -1.87 117.51 124.83 3kew h ILE 137 Ca 0.04 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3kew h ILE 137 Cb 1.02 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3kew h ILE 137 CO 0.10 0.07 -0.28 0.03 0.00 0.00 0.00 178.15 178.07 3kew h ARG 138 N 0.03 0.05 -0.17 2.37 2.47 -1.04 -1.46 114.38 116.63 3kew h ARG 138 Ca 0.03 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.63 3kew h ARG 138 Cb 0.08 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3kew h ARG 138 CO -0.00 0.33 -0.34 0.93 0.56 0.00 0.00 179.97 181.44 3kew h GLU 139 N 0.05 0.35 -0.15 0.04 5.08 -1.06 -1.73 114.58 117.16 3kew h GLU 139 Ca 0.01 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 3kew h GLU 139 Cb 0.52 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kew h GLU 139 CO 0.04 0.65 -0.50 0.00 -1.00 0.00 0.00 179.01 178.20 3kew h ALA 140 N 1.34 0.26 -0.65 3.43 0.00 -0.66 -1.87 119.26 121.11 3kew h ALA 140 Ca 0.04 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.55 3kew h ALA 140 Cb 0.75 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3kew h ALA 140 CO 0.06 0.43 0.27 1.49 0.00 0.00 0.00 179.25 181.50 3kew h GLU 141 N 0.24 0.45 -0.21 0.00 4.81 -1.28 0.33 114.58 118.92 3kew h GLU 141 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kew h GLU 141 Cb 1.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3kew h GLU 141 CO 0.11 0.30 0.09 -0.22 -0.73 0.00 0.00 179.01 178.55 3kew h LYS 142 N 0.47 0.32 -0.56 1.92 3.64 -1.28 -2.27 116.57 118.81 3kew h LYS 142 Ca 0.33 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3kew h LYS 142 Cb 0.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3kew h LYS 142 CO -0.30 0.36 0.03 1.49 -2.27 0.00 0.00 179.45 178.75 3kew h GLU 143 N 0.20 0.94 -0.06 1.90 4.57 -1.08 0.43 114.58 121.47 3kew h GLU 143 Ca 0.07 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3kew h GLU 143 Cb 0.16 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3kew h GLU 143 CO -0.01 0.91 0.01 0.00 -1.18 0.00 0.00 179.01 178.74 3kew h ALA 144 N 1.15 0.05 -0.28 2.92 0.00 -0.84 -0.37 119.26 121.89 3kew h ALA 144 Ca 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kew h ALA 144 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kew h ALA 144 CO 0.02 -0.47 -0.03 -0.91 0.00 0.00 0.00 179.25 177.86 3kew h ASN 145 N 0.03 0.41 -0.66 0.00 2.35 -1.21 -0.88 115.58 115.63 3kew h ASN 145 Ca 0.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3kew h ASN 145 Cb 0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3kew h ASN 145 CO -0.04 0.51 0.29 -0.09 -1.65 0.00 0.00 177.43 176.45 3kew h ARG 146 N 0.42 0.96 0.00 0.81 2.43 -0.46 -2.51 114.38 116.04 3kew h ARG 146 Ca 0.09 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3kew h ARG 146 Cb 0.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3kew h ARG 146 CO 0.01 0.79 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.80 3kew h LEU 147 N 0.92 0.00 -0.07 3.80 3.38 -0.52 -0.54 115.31 122.27 3kew h LEU 147 Ca 0.22 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kew h LEU 147 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kew h LEU 147 CO -0.02 0.39 -0.03 0.40 0.09 0.00 0.00 178.44 179.27 3kew h ILE 148 N 0.00 0.90 -0.42 1.22 2.04 -1.02 -1.83 117.51 118.40 3kew h ILE 148 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3kew h ILE 148 Cb 1.05 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3kew h ILE 148 CO 0.05 0.00 0.06 0.15 0.00 0.00 0.00 178.15 178.41 3kew h PHE 149 N -0.02 0.67 0.00 1.37 3.57 -1.24 -1.92 116.94 119.37 3kew h PHE 149 Ca 0.04 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kew h PHE 149 Cb 0.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3kew h PHE 149 CO -0.14 0.60 0.00 0.93 -2.23 0.00 0.00 178.31 177.47 3kew h GLU 150 N 0.63 0.00 -5.50 1.11 4.39 -0.91 -3.48 114.58 110.81 3kew h GLU 150 Ca 0.14 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 3kew h GLU 150 Cb 0.30 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.08 3kew h GLU 150 CO 0.00 0.00 -0.64 -1.71 -1.16 0.00 0.00 179.01 175.51 3kew n ASN 151 N -2.96 -6.85 -4.78 1.42 5.15 -0.71 -4.98 115.26 101.54 3kew n ASN 151 Ca 0.01 -0.56 -0.36 0.00 -0.60 0.00 0.00 54.58 53.07 3kew n ASN 151 Cb 0.32 -5.07 -0.04 0.00 -0.53 0.00 0.00 39.78 34.47 3kew n ASN 151 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kew s LEU 152 N -5.09 4.08 0.22 1.20 1.43 -1.25 -4.74 118.68 114.54 3kew s LEU 152 Ca 0.33 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 3kew s LEU 152 Cb -0.05 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 41.82 3kew s LEU 152 CO 0.75 -0.56 1.32 -0.70 0.23 0.00 0.00 176.35 177.39 3kew s GLU 153 N -2.64 4.38 -0.33 1.70 2.12 -1.26 -1.46 118.70 121.21 3kew s GLU 153 Ca 0.60 2.09 -0.02 0.00 0.36 0.00 0.00 54.97 58.00 3kew s GLU 153 Cb -0.21 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.08 3kew s GLU 153 CO 0.26 -0.25 0.06 0.08 -0.54 0.00 0.00 175.26 174.88 3kew s VAL 154 N -0.09 3.04 -0.20 3.70 1.01 -0.27 -0.61 120.40 126.98 3kew s VAL 154 Ca 0.56 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 3kew s VAL 154 Cb -0.37 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3kew s VAL 154 CO 0.40 -0.30 0.43 -0.54 0.00 0.00 0.00 175.10 175.10 3kew s LYS 155 N 1.20 4.19 -0.23 2.72 1.02 -0.13 -4.48 119.74 124.03 3kew s LYS 155 Ca -0.00 0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 3kew s LYS 155 Cb -0.20 -3.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3kew s LYS 155 CO -0.02 -0.05 -0.01 -1.12 -0.92 0.00 0.00 175.35 173.23 3kew s SER 156 N 1.05 4.55 0.05 2.83 0.01 -1.26 -0.60 113.70 120.33 3kew s SER 156 Ca 0.21 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.96 3kew s SER 156 Cb -0.15 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.31 3kew s SER 156 CO 0.08 -0.03 0.32 -0.72 0.41 0.00 0.00 173.24 173.30 3kew s TYR 157 N 1.51 -0.12 -0.48 2.43 -0.85 -0.47 -4.99 117.35 114.38 3kew s TYR 157 Ca 0.06 -0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.51 3kew s TYR 157 Cb -0.15 0.11 0.12 0.00 0.38 0.00 0.00 41.96 42.43 3kew s TYR 157 CO -0.01 -0.52 0.33 0.00 -1.52 0.00 0.00 175.55 173.83 3kew s ALA 158 N -2.64 3.37 0.39 9.51 0.00 -1.26 0.06 121.76 131.19 3kew s ALA 158 Ca -0.04 -2.60 -0.28 0.00 0.00 0.00 0.00 51.96 49.04 3kew s ALA 158 Cb -0.01 -2.74 -0.11 0.00 0.00 0.00 0.00 23.12 20.27 3kew s ALA 158 CO -0.04 -1.91 1.48 -2.30 0.00 0.00 0.00 175.76 172.99 3kew n PRO 159 N 4.73 2.61 -1.98 0.00 -0.02 -1.25 -5.00 135.00 134.09 3kew n PRO 159 Ca -0.05 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 3kew n PRO 159 Cb 0.41 -2.66 0.04 0.00 -0.02 0.00 0.00 33.50 31.26 3kew n PRO 159 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kew s SER 160 N -0.18 5.12 0.58 2.55 0.15 -1.26 -4.76 113.70 115.90 3kew s SER 160 Ca 0.54 2.42 0.28 0.00 0.70 0.00 0.00 55.95 59.89 3kew s SER 160 Cb -0.47 -2.60 1.60 0.00 -1.71 0.00 0.00 66.02 62.83 3kew s SER 160 CO 0.63 -1.64 2.07 0.11 1.20 0.00 0.00 173.24 175.61 3kew h LYS 161 N 0.86 0.00 0.59 5.44 1.57 -1.98 0.35 116.57 123.40 3kew h LYS 161 Ca -0.51 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 3kew h LYS 161 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 3kew h LYS 161 CO 0.55 0.00 -0.28 0.87 -0.57 0.00 0.00 179.45 180.01 3kew h LYS 162 N 0.00 -0.76 0.00 3.15 1.79 -2.03 -3.29 116.57 115.42 3kew h LYS 162 Ca 0.11 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3kew h LYS 162 Cb 0.58 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 3kew h LYS 162 CO -0.00 -0.46 0.00 -0.85 -1.08 0.00 0.00 179.45 177.06 3kew n GLU 163 N -5.37 0.08 0.22 3.15 0.28 -0.18 -3.09 120.64 115.73 3kew n GLU 163 Ca -0.12 0.08 0.09 0.00 -0.16 0.00 0.00 57.16 57.05 3kew n GLU 163 Cb 0.34 -1.60 0.45 0.00 1.43 0.00 0.00 31.44 32.06 3kew n GLU 163 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3kew h LEU 164 N 0.00 0.00 -0.52 -1.84 6.46 -0.47 -2.93 115.31 116.00 3kew h LEU 164 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3kew h LEU 164 Cb 0.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 3kew h LEU 164 CO 0.00 0.26 -0.22 0.11 -0.62 0.00 0.00 178.44 177.97 3kew h LYS 165 N 0.00 0.00 -0.15 1.25 1.57 -1.63 -3.01 116.57 114.60 3kew h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kew h LYS 165 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kew h LYS 165 CO 0.03 0.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.76 3kew n LYS 166 N -3.23 2.00 -2.53 3.15 4.76 -1.11 -4.89 118.16 116.31 3kew n LYS 166 Ca 0.02 -1.48 -0.43 0.00 -2.87 0.00 0.00 58.31 53.55 3kew n LYS 166 Cb 0.53 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.25 3kew n LYS 166 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kew s VAL 167 N -1.83 4.42 -0.28 -0.18 1.01 -1.14 -5.02 120.40 117.39 3kew s VAL 167 Ca 0.34 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 3kew s VAL 167 Cb 0.20 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3kew s VAL 167 CO 0.30 -0.25 0.19 -0.54 0.00 0.00 0.00 175.10 174.80 3kew s LYS 168 N 3.53 3.95 0.09 2.72 -0.14 -1.26 -5.06 119.74 123.56 3kew s LYS 168 Ca 0.50 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.83 3kew s LYS 168 Cb -0.17 -3.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.29 3kew s LYS 168 CO 0.13 -0.17 -0.11 -0.08 -0.76 0.00 0.00 175.35 174.36 3kew s THR 169 N 1.74 0.94 -0.20 2.17 -1.32 -1.26 -4.92 115.64 112.79 3kew s THR 169 Ca 0.07 -1.55 0.20 0.00 -1.21 0.00 0.00 61.69 59.20 3kew s THR 169 Cb -0.16 -1.26 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 3kew s THR 169 CO 0.11 -0.49 0.99 0.03 -2.21 0.00 0.00 174.62 173.04 3kew h ARG 170 N 3.74 0.00 -6.09 7.08 3.08 -1.98 -3.45 114.38 116.76 3kew h ARG 170 Ca -0.38 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.00 3kew h ARG 170 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.08 3kew h ARG 170 CO 0.50 0.11 -0.65 1.03 -1.07 0.00 0.00 179.97 179.89 3kew s ARG 171 N -3.19 2.85 0.41 0.04 0.52 -1.26 -5.10 118.95 113.21 3kew s ARG 171 Ca -0.01 -0.52 -0.26 0.00 -0.52 0.00 0.00 55.73 54.42 3kew s ARG 171 Cb 0.09 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.78 3kew s ARG 171 CO 0.79 0.67 1.33 0.00 0.02 0.00 0.00 175.30 178.11 3kew s ALA 172 N -0.94 3.26 0.52 2.13 0.00 -1.26 -5.00 121.76 120.48 3kew s ALA 172 Ca 0.15 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 3kew s ALA 172 Cb -0.11 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 3kew s ALA 172 CO 0.05 -0.90 1.01 -0.51 0.00 0.00 0.00 175.76 175.40 3kew s LEU 173 N -2.48 3.67 0.57 0.00 1.43 -1.26 -5.02 118.68 115.59 3kew s LEU 173 Ca 0.58 1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 3kew s LEU 173 Cb -0.39 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.26 3kew s LEU 173 CO 0.51 -0.72 1.13 -2.84 0.23 0.00 0.00 176.35 174.66 3kew s PRO 174 N -3.83 3.19 -0.37 1.29 0.02 -1.26 -5.00 135.00 129.04 3kew s PRO 174 Ca 0.62 1.59 -0.22 0.00 0.02 0.00 0.00 61.00 63.00 3kew s PRO 174 Cb -0.12 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.42 3kew s PRO 174 CO 0.28 -0.98 0.72 0.15 -0.33 0.00 0.00 177.00 176.85 3kew s LYS 175 N -3.47 3.69 0.12 5.54 -0.14 -1.26 -5.04 119.74 119.18 3kew s LYS 175 Ca 0.72 0.16 -0.09 0.00 -1.36 0.00 0.00 55.97 55.40 3kew s LYS 175 Cb -0.24 -3.82 -0.00 0.00 -1.68 0.00 0.00 37.83 32.09 3kew s LYS 175 CO 0.31 -0.83 0.23 0.99 -0.76 0.00 0.00 175.35 175.29 3kew s THR 176 N 2.94 0.11 -0.09 2.17 2.01 -1.26 -5.02 115.64 116.50 3kew s THR 176 Ca 0.28 -1.24 0.14 0.00 0.31 0.00 0.00 61.69 61.18 3kew s THR 176 Cb -0.14 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.78 3kew s THR 176 CO 0.16 -0.51 1.16 0.44 -0.69 0.00 0.00 174.62 175.19 3kew h ASP 177 N 2.66 0.00 -4.31 3.53 3.32 -2.07 -3.47 116.42 116.08 3kew h ASP 177 Ca -0.33 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.20 3kew h ASP 177 Cb 1.21 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.89 3kew h ASP 177 CO 0.53 0.65 0.32 -1.61 -1.72 0.00 0.00 179.24 177.41 3kew s GLU 178 N -2.88 2.32 0.28 3.56 2.02 -1.26 -5.03 118.70 117.72 3kew s GLU 178 Ca 0.01 1.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 3kew s GLU 178 Cb 0.08 -1.90 -0.09 0.00 0.10 0.00 0.00 34.13 32.32 3kew s GLU 178 CO 0.79 -1.59 1.03 -1.83 0.02 0.00 0.00 175.26 173.67 3kew s GLU 179 N -4.87 4.65 -0.12 1.61 -1.05 -1.26 -5.02 118.70 112.65 3kew s GLU 179 Ca 0.61 1.64 -0.30 0.00 -0.15 0.00 0.00 54.97 56.78 3kew s GLU 179 Cb -0.17 -3.12 -0.02 0.00 -0.44 0.00 0.00 34.13 30.38 3kew s GLU 179 CO 0.55 0.27 1.15 0.42 0.95 0.00 0.00 175.26 178.61 3kew s ILE 180 N -1.25 4.44 -0.00 1.83 1.09 -1.26 -5.04 121.20 121.00 3kew s ILE 180 Ca 0.45 1.74 -0.06 0.00 -1.10 0.00 0.00 60.65 61.68 3kew s ILE 180 Cb -0.28 -4.12 -0.05 0.00 -1.06 0.00 0.00 42.46 36.95 3kew s ILE 180 CO 0.36 -0.06 0.25 -0.13 -0.10 0.00 0.00 174.94 175.26 3kew s ARG 181 N 2.64 3.56 -0.06 2.79 1.81 -1.26 -3.88 118.95 124.53 3kew s ARG 181 Ca 0.52 -0.10 0.05 0.00 -1.72 0.00 0.00 55.73 54.48 3kew s ARG 181 Cb -0.21 -3.09 -0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3kew s ARG 181 CO 0.17 0.66 -0.23 0.42 -0.68 0.00 0.00 175.30 175.63 3kew s ILE 182 N -1.29 2.21 -0.20 1.52 -1.09 0.11 -2.12 121.20 120.34 3kew s ILE 182 Ca 0.27 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 3kew s ILE 182 Cb -0.13 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 3kew s ILE 182 CO 0.16 0.57 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.64 3kew s VAL 183 N -0.15 2.85 -0.20 2.92 1.01 -0.21 -1.37 120.40 125.23 3kew s VAL 183 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3kew s VAL 183 Cb -0.14 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.02 3kew s VAL 183 CO 0.04 0.47 -0.14 -0.70 0.00 0.00 0.00 175.10 174.77 3kew s GLU 184 N 1.39 2.40 -0.63 2.72 2.12 0.24 -1.66 118.70 125.27 3kew s GLU 184 Ca 0.05 -0.94 -0.26 0.00 0.36 0.00 0.00 54.97 54.18 3kew s GLU 184 Cb -0.14 -2.56 0.04 0.00 0.26 0.00 0.00 34.13 31.74 3kew s GLU 184 CO -0.07 -0.38 1.12 0.42 -0.54 0.00 0.00 175.26 175.81 3kew s ILE 185 N 1.30 4.08 -0.13 -3.70 1.01 0.45 -0.95 121.20 123.24 3kew s ILE 185 Ca -0.01 0.42 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 3kew s ILE 185 Cb -0.16 -4.73 -0.09 0.00 0.01 0.00 0.00 42.46 37.50 3kew s ILE 185 CO -0.09 -1.44 2.06 0.52 0.00 0.00 0.00 174.94 175.99 3kew n VAL 186 N 6.36 0.51 0.00 2.92 0.31 0.22 -0.66 118.33 127.99 3kew n VAL 186 Ca 0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3kew n VAL 186 Cb 0.48 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3kew n VAL 186 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kew n GLY 187 N 5.17 1.79 0.86 2.92 0.00 -1.26 -4.67 105.19 110.00 3kew n GLY 187 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.26 3kew n GLY 187 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kew n LEU 188 N 0.00 0.99 -3.81 0.99 7.94 0.17 -5.13 117.00 118.15 3kew n LEU 188 Ca 0.00 0.14 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 3kew n LEU 188 Cb 0.00 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.54 3kew n LEU 188 CO 0.00 -0.42 -0.05 -0.62 -1.11 0.00 0.00 177.39 175.19 3kew s ASP 189 N -5.82 -0.03 -0.25 1.96 2.15 -0.56 -4.98 116.67 109.14 3kew s ASP 189 Ca -0.06 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.61 3kew s ASP 189 Cb 0.01 0.31 0.14 0.00 -0.30 0.00 0.00 42.92 43.08 3kew s ASP 189 CO 0.09 -0.57 0.38 -0.22 -0.17 0.00 0.00 175.17 174.67 3kew s LEU 190 N -2.04 -0.64 0.08 -1.34 0.20 -1.26 -0.42 118.68 113.27 3kew s LEU 190 Ca -0.05 0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.93 3kew s LEU 190 Cb -0.01 1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 46.81 3kew s LEU 190 CO -0.03 -0.31 -0.11 0.20 -0.29 0.00 0.00 176.35 175.81 3kew s ASN 191 N 2.54 1.41 -0.03 3.68 0.01 -0.67 -4.66 114.94 117.22 3kew s ASN 191 Ca 0.12 -0.72 -0.30 0.00 -0.71 0.00 0.00 52.86 51.26 3kew s ASN 191 Cb -0.15 -0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.47 3kew s ASN 191 CO -0.18 -0.20 1.15 0.00 -1.51 0.00 0.00 177.10 176.36 3kew s ALA 192 N -1.95 3.42 -0.20 0.60 0.00 -1.26 -1.05 121.76 121.32 3kew s ALA 192 Ca 0.01 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 3kew s ALA 192 Cb -0.06 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3kew s ALA 192 CO 0.01 -0.61 0.52 0.00 0.00 0.00 0.00 175.76 175.67 3kew s GLY 195 N -1.09 1.61 -0.35 0.00 0.00 -1.26 -4.54 107.32 101.69 3kew s GLY 195 Ca 0.37 -0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.77 3kew s GLY 195 CO 0.26 0.26 0.16 0.14 0.00 0.00 0.00 173.10 173.93 3kew s VAL 196 N -3.08 4.35 0.18 1.40 1.01 -1.26 -5.07 120.40 117.93 3kew s VAL 196 Ca 0.63 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.84 3kew s VAL 196 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3kew s VAL 196 CO 0.55 -0.15 0.04 -1.00 0.00 0.00 0.00 175.10 174.54 3kew s HIS 197 N 1.53 2.92 0.99 5.22 4.02 -1.26 -4.33 115.29 124.37 3kew s HIS 197 Ca 0.02 -0.11 -0.11 0.00 1.02 0.00 0.00 55.06 55.87 3kew s HIS 197 Cb -0.19 -1.40 0.19 0.00 -1.02 0.00 0.00 32.58 30.16 3kew s HIS 197 CO 0.05 0.52 1.09 -2.14 1.02 0.00 0.00 174.74 175.28 3kew s PRO 198 N -3.05 0.44 0.00 8.40 0.02 -1.26 -4.92 135.00 134.63 3kew s PRO 198 Ca 0.29 1.07 0.25 0.00 0.02 0.00 0.00 61.00 62.63 3kew s PRO 198 Cb -0.09 -1.70 0.53 0.00 0.02 0.00 0.00 34.50 33.27 3kew s PRO 198 CO 0.20 -2.87 1.43 0.54 -0.33 0.00 0.00 177.00 175.97 3kew n ARG 199 N -4.35 1.19 -3.82 5.54 1.74 -1.26 -4.72 116.66 110.98 3kew n ARG 199 Ca 0.07 -0.83 -0.09 0.00 -0.77 0.00 0.00 57.85 56.23 3kew n ARG 199 Cb 0.54 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.43 3kew n ARG 199 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kew s ASN 200 N -2.38 -0.01 0.38 0.55 2.20 -1.26 -1.12 114.94 113.30 3kew s ASN 200 Ca 0.25 -0.62 0.20 0.00 -0.94 0.00 0.00 52.86 51.75 3kew s ASN 200 Cb 0.19 0.41 0.68 0.00 -2.00 0.00 0.00 41.25 40.54 3kew s ASN 200 CO 0.49 -0.83 1.73 0.71 -2.94 0.00 0.00 177.10 176.26 3kew h THR 201 N 2.56 0.79 -0.43 0.54 1.35 -1.54 -3.16 112.91 113.01 3kew h THR 201 Ca -0.33 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.07 3kew h THR 201 Cb 1.22 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 3kew h THR 201 CO 0.51 0.34 0.29 -0.09 -0.25 0.00 0.00 175.52 176.31 3kew h ARG 202 N 0.00 0.53 0.00 4.72 9.65 -1.82 -1.71 114.38 125.74 3kew h ARG 202 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kew h ARG 202 Cb 0.90 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3kew h ARG 202 CO 0.04 0.35 0.12 -0.44 2.80 0.00 0.00 179.97 182.84 3kew h ASP 203 N 0.54 0.00 0.96 -3.80 3.45 -1.88 -1.57 116.42 114.12 3kew h ASP 203 Ca 0.16 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 3kew h ASP 203 Cb -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3kew h ASP 203 CO -0.04 0.00 -0.13 -0.07 -1.57 0.00 0.00 179.24 177.43 3kew h LEU 204 N 0.00 0.00 0.00 1.55 4.07 -1.50 -3.48 115.31 115.95 3kew h LEU 204 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kew h LEU 204 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3kew h LEU 204 CO 0.00 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.49 3kew n GLN 205 N -3.29 0.00 -3.56 1.13 6.02 -0.59 -1.59 117.38 115.50 3kew n GLN 205 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 3kew n GLN 205 Cb 0.38 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.58 3kew n GLN 205 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kew s VAL 206 N 0.00 0.01 -0.06 5.09 0.11 -1.26 -4.93 120.40 119.35 3kew s VAL 206 Ca 0.00 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3kew s VAL 206 Cb 0.00 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3kew s VAL 206 CO 0.00 -0.04 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.10 3kew s ILE 207 N -1.29 1.08 -0.09 7.04 2.07 -1.26 -1.23 121.20 127.52 3kew s ILE 207 Ca -0.11 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3kew s ILE 207 Cb -0.01 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.60 3kew s ILE 207 CO 0.08 0.34 -0.17 -0.54 -1.91 0.00 0.00 174.94 172.74 3kew s LYS 208 N 0.66 2.34 -0.16 3.50 1.02 0.14 -4.84 119.74 122.40 3kew s LYS 208 Ca -0.14 -0.62 -0.26 0.00 0.02 0.00 0.00 55.97 54.97 3kew s LYS 208 Cb -0.16 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3kew s LYS 208 CO 0.03 0.06 0.85 0.42 -0.92 0.00 0.00 175.35 175.79 3kew s ILE 209 N 0.64 4.87 -0.18 2.17 1.01 -1.26 -0.85 121.20 127.60 3kew s ILE 209 Ca -0.14 1.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.95 3kew s ILE 209 Cb -0.16 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 37.93 3kew s ILE 209 CO 0.04 0.03 0.44 0.03 0.00 0.00 0.00 174.94 175.48 3kew h ARG 210 N 7.29 0.00 -2.22 2.79 2.47 -1.10 -3.49 114.38 120.12 3kew h ARG 210 Ca -0.30 -0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.60 3kew h ARG 210 Cb 1.13 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.35 3kew h ARG 210 CO 0.84 1.00 0.53 -0.98 0.56 0.00 0.00 179.97 181.92 3kew s ARG 211 N -2.31 1.01 0.04 0.04 1.70 -1.23 -5.04 118.95 113.16 3kew s ARG 211 Ca -0.25 -0.52 -0.15 0.00 -0.47 0.00 0.00 55.73 54.35 3kew s ARG 211 Cb 0.02 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3kew s ARG 211 CO 0.63 -0.46 0.32 1.67 -1.08 0.00 0.00 175.30 176.39 3kew s TRP 212 N -3.14 -0.14 0.18 5.89 -2.14 -1.26 -0.91 118.94 117.42 3kew s TRP 212 Ca 0.11 0.05 -0.11 0.00 2.66 0.00 0.00 56.10 58.80 3kew s TRP 212 Cb -0.01 0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 3kew s TRP 212 CO -0.01 -0.50 0.36 -1.83 -2.66 0.00 0.00 176.95 172.31 3kew s GLU 213 N -2.39 1.25 0.18 3.25 -1.05 -0.62 -5.00 118.70 114.32 3kew s GLU 213 Ca -0.06 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 3kew s GLU 213 Cb -0.01 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 34.02 3kew s GLU 213 CO -0.02 -0.49 1.17 0.21 0.95 0.00 0.00 175.26 177.08 3kew s LYS 214 N -3.95 4.52 -0.25 -4.83 2.20 -1.26 -0.15 119.74 116.02 3kew s LYS 214 Ca 0.16 1.82 -0.02 0.00 -0.36 0.00 0.00 55.97 57.58 3kew s LYS 214 Cb 0.02 -3.25 0.08 0.00 -1.51 0.00 0.00 37.83 33.16 3kew s LYS 214 CO 0.01 -0.04 0.06 -1.58 -0.36 0.00 0.00 175.35 173.44 3kew s HIS 215 N -0.11 1.35 0.00 4.03 2.46 0.97 -4.81 115.29 119.18 3kew s HIS 215 Ca 0.52 -1.27 0.00 0.00 0.47 0.00 0.00 55.06 54.77 3kew s HIS 215 Cb -0.32 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 3kew s HIS 215 CO 0.36 -0.74 0.00 1.63 -2.47 0.00 0.00 174.74 173.52 3kew n LYS 216 N 4.95 0.00 -0.36 2.88 5.02 -1.26 -0.61 118.16 128.78 3kew n LYS 216 Ca -0.06 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 3kew n LYS 216 Cb 0.45 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.69 3kew n LYS 216 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kew n ASN 217 N 6.52 3.11 -4.35 4.39 3.02 -1.26 -4.95 115.26 121.74 3kew n ASN 217 Ca 0.00 -2.19 -0.18 0.00 -0.03 0.00 0.00 54.58 52.18 3kew n ASN 217 Cb 0.00 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 3kew n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kew s ALA 218 N -1.60 1.98 -0.34 5.41 0.00 0.22 -0.93 121.76 126.49 3kew s ALA 218 Ca 0.34 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 3kew s ALA 218 Cb 0.20 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3kew s ALA 218 CO 0.19 -0.12 0.19 0.99 0.00 0.00 0.00 175.76 177.01 3kew s THR 219 N -3.19 4.73 -0.38 0.00 2.01 0.71 -0.02 115.64 119.49 3kew s THR 219 Ca 0.26 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 3kew s THR 219 Cb 0.04 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.06 3kew s THR 219 CO 0.08 -0.07 0.95 -0.60 -0.69 0.00 0.00 174.62 174.30 3kew s ARG 220 N 1.61 3.82 -0.25 4.92 3.52 0.79 -1.34 118.95 132.02 3kew s ARG 220 Ca 0.04 0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 56.13 3kew s ARG 220 Cb -0.18 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.37 3kew s ARG 220 CO 0.07 -1.00 0.07 0.42 -0.81 0.00 0.00 175.30 174.05 3kew s ILE 221 N 3.58 4.24 -0.04 4.11 1.01 0.30 -1.60 121.20 132.79 3kew s ILE 221 Ca 0.39 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 3kew s ILE 221 Cb -0.11 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3kew s ILE 221 CO 0.20 0.31 0.80 -1.61 0.00 0.00 0.00 174.94 174.64 3kew s GLU 222 N 1.60 4.48 0.11 2.79 2.02 -0.09 -1.67 118.70 127.94 3kew s GLU 222 Ca 0.06 1.08 0.01 0.00 0.02 0.00 0.00 54.97 56.14 3kew s GLU 222 Cb -0.15 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 3kew s GLU 222 CO 0.03 0.02 -0.02 1.52 0.02 0.00 0.00 175.26 176.83 3kew s TYR 223 N 0.88 0.88 -0.01 1.61 1.13 -0.51 -0.42 117.35 120.90 3kew s TYR 223 Ca 0.43 -1.02 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 3kew s TYR 223 Cb -0.19 -0.52 -0.00 0.00 -1.10 0.00 0.00 41.96 40.14 3kew s TYR 223 CO 0.22 -0.27 -0.07 0.14 -2.51 0.00 0.00 175.55 173.06 3kew s VAL 224 N -3.76 0.58 0.18 -3.49 -7.23 -0.03 -3.39 120.40 103.27 3kew s VAL 224 Ca 0.15 -0.29 0.09 0.00 -1.81 0.00 0.00 61.98 60.13 3kew s VAL 224 Cb 0.06 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 3kew s VAL 224 CO -0.03 0.17 -0.18 0.00 -0.31 0.00 0.00 175.10 174.75 3kew s ALA 225 N -0.02 2.13 0.00 1.32 0.00 -1.26 -0.69 121.76 123.25 3kew s ALA 225 Ca 0.01 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3kew s ALA 225 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3kew s ALA 225 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3kew n GLY 226 N 0.10 2.45 0.24 0.00 0.00 -0.36 -3.13 105.19 104.49 3kew n GLY 226 Ca -0.11 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3kew n GLY 226 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kew h ASN 227 N 0.40 0.00 0.38 1.61 2.35 -1.91 -2.35 115.58 116.06 3kew h ASN 227 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3kew h ASN 227 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kew h ASN 227 CO 0.00 0.15 -0.35 0.03 -1.65 0.00 0.00 177.43 175.61 3kew h ARG 228 N 0.00 0.00 0.00 0.81 3.08 -1.94 -3.18 114.38 113.15 3kew h ARG 228 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kew h ARG 228 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3kew h ARG 228 CO 0.02 0.35 -0.03 0.00 -1.07 0.00 0.00 179.97 179.24 3kew n ALA 229 N -2.46 2.39 0.06 0.04 0.00 -0.88 -4.89 120.51 114.76 3kew n ALA 229 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.33 3kew n ALA 229 Cb 0.39 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.40 3kew n ALA 229 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83