#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktj s GLU 2 N 0.00 4.45 0.32 1.43 2.12 -1.26 -1.31 118.70 124.45 1ktj s GLU 2 Ca 0.00 1.91 0.09 0.00 0.36 0.00 0.00 54.97 57.33 1ktj s GLU 2 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1ktj s GLU 2 CO 0.00 -0.17 0.03 0.14 -0.54 0.00 0.00 175.26 174.71 1ktj s VAL 3 N 0.22 2.92 -0.12 3.70 -7.23 -0.01 -0.46 120.40 119.42 1ktj s VAL 3 Ca 0.55 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1ktj s VAL 3 Cb -0.33 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 1ktj s VAL 3 CO 0.35 -0.25 0.21 -1.81 -0.31 0.00 0.00 175.10 173.29 1ktj s ASP 4 N -3.72 6.43 0.03 4.85 1.01 -0.05 -4.49 116.67 120.72 1ktj s ASP 4 Ca 0.34 0.51 0.02 0.00 0.71 0.00 0.00 52.55 54.13 1ktj s ASP 4 Cb -0.03 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1ktj s ASP 4 CO 0.20 0.30 -0.06 -0.69 0.21 0.00 0.00 175.17 175.13 1ktj s VAL 5 N -0.53 0.43 -0.13 -1.27 1.01 -1.26 -4.73 120.40 113.91 1ktj s VAL 5 Ca 0.15 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1ktj s VAL 5 Cb -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ktj s VAL 5 CO 0.04 -0.28 0.58 -0.54 0.00 0.00 0.00 175.10 174.91 1ktj s LYS 6 N -1.19 4.32 0.25 2.72 1.02 0.25 -4.91 119.74 122.19 1ktj s LYS 6 Ca -0.08 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.22 1ktj s LYS 6 Cb -0.08 -3.49 -0.09 0.00 -0.52 0.00 0.00 37.83 33.65 1ktj s LYS 6 CO 0.00 -0.00 0.96 0.34 -0.92 0.00 0.00 175.35 175.73 1ktj s ASP 7 N 0.87 7.60 -0.09 2.83 -1.08 -1.26 -0.34 116.67 125.20 1ktj s ASP 7 Ca 0.30 1.99 0.13 0.00 -0.52 0.00 0.00 52.55 54.45 1ktj s ASP 7 Cb -0.16 -2.61 0.21 0.00 -1.46 0.00 0.00 42.92 38.90 1ktj s ASP 7 CO 0.12 0.12 1.11 0.00 0.52 0.00 0.00 175.17 177.04 1ktj n ALA 9 N -0.94 0.43 -2.35 0.00 0.00 -1.25 -4.83 120.51 111.57 1ktj n ALA 9 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1ktj n ALA 9 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.14 1ktj n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ktj n ASN 10 N 0.00 -0.58 -1.28 0.00 3.02 -1.26 -5.01 115.26 110.15 1ktj n ASN 10 Ca 0.00 -2.07 -0.11 0.00 -0.03 0.00 0.00 54.58 52.37 1ktj n ASN 10 Cb 0.00 0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1ktj n ASN 10 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1ktj n HIS 11 N -0.44 -0.55 0.02 3.10 8.25 -1.26 -4.92 115.22 119.41 1ktj n HIS 11 Ca -0.16 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 1ktj n HIS 11 Cb 0.83 -2.57 0.16 0.00 1.12 0.00 0.00 29.99 29.53 1ktj n HIS 11 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1ktj h GLU 12 N -0.05 0.47 -6.43 -0.41 3.07 -1.87 -3.42 114.58 105.93 1ktj h GLU 12 Ca -0.26 -0.21 -0.54 0.00 -0.50 0.00 0.00 59.36 57.85 1ktj h GLU 12 Cb 1.19 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1ktj h GLU 12 CO 0.31 0.76 0.73 0.42 -1.40 0.00 0.00 179.01 179.82 1ktj s ILE 13 N -4.31 3.77 -0.26 3.13 1.01 -1.26 -1.14 121.20 122.13 1ktj s ILE 13 Ca -0.07 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 1ktj s ILE 13 Cb 0.13 -3.78 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 1ktj s ILE 13 CO 0.80 0.04 -0.24 0.29 0.00 0.00 0.00 174.94 175.84 1ktj n LYS 14 N 4.69 0.62 -3.71 2.79 4.76 0.12 -4.98 118.16 122.45 1ktj n LYS 14 Ca 0.11 0.25 -0.14 0.00 -2.87 0.00 0.00 58.31 55.67 1ktj n LYS 14 Cb 0.44 -1.53 -0.09 0.00 -1.84 0.00 0.00 35.03 32.01 1ktj n LYS 14 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1ktj s LYS 15 N -2.50 0.63 -0.14 1.97 -2.85 -1.16 -5.02 119.74 110.67 1ktj s LYS 15 Ca -0.36 0.37 0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1ktj s LYS 15 Cb 0.12 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1ktj s LYS 15 CO 0.55 -0.13 -0.18 0.08 0.10 0.00 0.00 175.35 175.77 1ktj s VAL 16 N -0.34 2.48 -0.10 1.79 1.01 -1.26 -1.92 120.40 122.06 1ktj s VAL 16 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1ktj s VAL 16 Cb -0.03 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1ktj s VAL 16 CO 0.03 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.71 1ktj s LEU 17 N 0.72 2.42 -0.07 3.92 1.02 0.41 -0.83 118.68 126.28 1ktj s LEU 17 Ca -0.08 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1ktj s LEU 17 Cb -0.16 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.57 1ktj s LEU 17 CO 0.01 0.20 -0.04 -0.69 0.02 0.00 0.00 176.35 175.85 1ktj s VAL 18 N 0.12 0.61 0.20 -1.59 1.01 -0.43 -1.47 120.40 118.85 1ktj s VAL 18 Ca -0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ktj s VAL 18 Cb -0.15 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1ktj s VAL 18 CO 0.06 0.27 1.41 -2.16 0.00 0.00 0.00 175.10 174.68 1ktj s PRO 19 N 1.40 4.31 0.00 2.72 0.04 -1.26 -0.48 135.00 141.72 1ktj s PRO 19 Ca -0.03 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ktj s PRO 19 Cb -0.13 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1ktj s PRO 19 CO -0.03 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1ktj n GLY 20 N 2.71 1.16 3.36 0.56 0.00 -1.26 -4.77 105.19 106.95 1ktj n GLY 20 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ktj n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ktj s HIS 22 N -0.75 0.97 0.00 0.00 3.76 -1.26 -1.54 115.29 116.47 1ktj s HIS 22 Ca 0.12 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1ktj s HIS 22 Cb -0.10 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.74 1ktj s HIS 22 CO 0.01 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 1ktj n GLY 23 N 4.35 3.08 1.33 -2.22 0.00 0.39 -0.86 105.19 111.25 1ktj n GLY 23 Ca -0.19 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1ktj n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ktj n SER 24 N 4.25 4.27 -4.78 1.61 7.64 -1.26 -0.87 113.62 124.47 1ktj n SER 24 Ca 0.00 -2.37 -0.33 0.00 1.01 0.00 0.00 58.87 57.18 1ktj n SER 24 Cb 0.00 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 62.73 1ktj n SER 24 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ktj s GLU 25 N -1.70 2.92 -0.13 1.43 2.02 -0.04 -4.91 118.70 118.30 1ktj s GLU 25 Ca 0.45 1.35 -0.36 0.00 0.02 0.00 0.00 54.97 56.44 1ktj s GLU 25 Cb 0.29 -1.97 -0.13 0.00 0.10 0.00 0.00 34.13 32.42 1ktj s GLU 25 CO 0.23 -1.15 1.81 -2.30 0.02 0.00 0.00 175.26 173.86 1ktj n PRO 26 N -2.32 1.84 -3.68 0.39 -0.02 -1.26 -4.73 135.00 125.23 1ktj n PRO 26 Ca 0.10 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.87 1ktj n PRO 26 Cb 0.52 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1ktj n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ktj s ILE 28 N 1.58 5.09 -0.30 0.00 -1.09 -1.26 -1.01 121.20 124.21 1ktj s ILE 28 Ca 0.04 0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 59.14 1ktj s ILE 28 Cb -0.17 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1ktj s ILE 28 CO 0.05 0.11 0.39 -0.63 -1.23 0.00 0.00 174.94 173.63 1ktj s ILE 29 N 2.18 5.15 -0.12 2.92 1.01 0.10 -4.94 121.20 127.51 1ktj s ILE 29 Ca 0.20 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 1ktj s ILE 29 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1ktj s ILE 29 CO 0.09 0.03 0.46 -1.00 0.00 0.00 0.00 174.94 174.53 1ktj s HIS 30 N 2.09 3.51 0.15 3.97 3.76 -1.26 -2.04 115.29 125.47 1ktj s HIS 30 Ca 0.14 0.87 -0.34 0.00 -0.15 0.00 0.00 55.06 55.58 1ktj s HIS 30 Cb -0.16 -2.53 -0.14 0.00 1.11 0.00 0.00 32.58 30.86 1ktj s HIS 30 CO 0.11 0.18 1.59 0.54 -0.85 0.00 0.00 174.74 176.31 1ktj n ARG 31 N 3.63 2.16 -1.00 1.40 1.74 -0.71 -2.32 116.66 121.56 1ktj n ARG 31 Ca -0.07 0.78 -0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1ktj n ARG 31 Cb 0.52 -2.55 -0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1ktj n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ktj n GLY 32 N 3.47 0.47 3.32 -0.13 0.00 0.50 -4.83 105.19 107.98 1ktj n GLY 32 Ca 0.17 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1ktj n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ktj s LYS 33 N -0.39 1.25 0.29 1.61 1.02 -0.98 -4.87 119.74 117.67 1ktj s LYS 33 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1ktj s LYS 33 Cb 0.00 -1.19 -0.10 0.00 -0.52 0.00 0.00 37.83 36.02 1ktj s LYS 33 CO 0.00 0.23 1.26 -1.25 -0.92 0.00 0.00 175.35 174.67 1ktj s PRO 34 N -3.04 4.43 -0.31 -1.68 0.04 -1.26 -1.51 135.00 131.67 1ktj s PRO 34 Ca 0.17 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1ktj s PRO 34 Cb -0.04 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.44 1ktj s PRO 34 CO 0.06 -0.11 0.00 0.12 0.04 0.00 0.00 177.00 177.11 1ktj s PHE 35 N -0.89 3.33 0.06 0.56 5.36 0.14 -4.90 117.98 121.64 1ktj s PHE 35 Ca 0.49 -2.08 -0.19 0.00 -0.96 0.00 0.00 56.93 54.19 1ktj s PHE 35 Cb -0.37 -2.24 -0.07 0.00 -0.34 0.00 0.00 43.02 40.00 1ktj s PHE 35 CO 0.47 -0.84 0.57 -0.65 -1.46 0.00 0.00 175.22 173.30 1ktj s GLN 36 N 1.19 4.21 0.01 10.12 -0.21 -1.26 -1.00 119.66 132.71 1ktj s GLN 36 Ca -0.03 0.73 -0.11 0.00 0.02 0.00 0.00 55.36 55.96 1ktj s GLN 36 Cb -0.20 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.57 1ktj s GLN 36 CO -0.03 0.61 0.23 -0.48 -2.12 0.00 0.00 175.29 173.51 1ktj s LEU 37 N -1.02 1.18 -0.00 2.90 0.05 0.03 -4.39 118.68 117.43 1ktj s LEU 37 Ca 0.29 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.37 1ktj s LEU 37 Cb -0.19 1.02 -0.00 0.00 -2.05 0.00 0.00 46.19 44.97 1ktj s LEU 37 CO 0.19 -0.45 -0.03 -0.70 -0.55 0.00 0.00 176.35 174.80 1ktj s GLU 38 N -1.65 0.28 -0.06 1.48 2.12 -0.54 -1.39 118.70 118.93 1ktj s GLU 38 Ca -0.12 -0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.05 1ktj s GLU 38 Cb -0.05 -0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.08 1ktj s GLU 38 CO 0.01 0.06 0.16 0.00 -0.54 0.00 0.00 175.26 174.96 1ktj s ALA 39 N -0.03 -0.38 -0.10 6.30 0.00 -0.34 -0.45 121.76 126.77 1ktj s ALA 39 Ca 0.01 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1ktj s ALA 39 Cb -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1ktj s ALA 39 CO -0.00 -0.09 -0.23 0.54 0.00 0.00 0.00 175.76 175.98 1ktj s VAL 40 N 0.23 2.16 0.20 0.00 0.11 -0.81 0.10 120.40 122.40 1ktj s VAL 40 Ca -0.01 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1ktj s VAL 40 Cb -0.02 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 1ktj s VAL 40 CO -0.01 0.56 0.04 0.72 -3.33 0.00 0.00 175.10 173.08 1ktj s PHE 41 N 0.25 1.31 -0.21 1.54 -0.71 -0.25 -0.70 117.98 119.22 1ktj s PHE 41 Ca -0.16 -1.09 -0.04 0.00 -1.04 0.00 0.00 56.93 54.60 1ktj s PHE 41 Cb -0.17 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.87 1ktj s PHE 41 CO 0.08 -0.27 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.67 1ktj s GLU 42 N -3.96 3.51 0.17 1.99 2.12 -0.30 -0.31 118.70 121.91 1ktj s GLU 42 Ca 0.29 -0.57 -0.32 0.00 0.36 0.00 0.00 54.97 54.74 1ktj s GLU 42 Cb 0.07 -3.04 -0.11 0.00 0.26 0.00 0.00 34.13 31.31 1ktj s GLU 42 CO 0.07 -0.07 1.73 0.00 -0.54 0.00 0.00 175.26 176.45 1ktj s ALA 43 N 1.19 3.85 -1.01 6.30 0.00 0.25 -4.82 121.76 127.51 1ktj s ALA 43 Ca 0.03 1.49 0.18 0.00 0.00 0.00 0.00 51.96 53.65 1ktj s ALA 43 Cb -0.14 -3.71 0.68 0.00 0.00 0.00 0.00 23.12 19.95 1ktj s ALA 43 CO 0.00 -1.01 1.59 0.27 0.00 0.00 0.00 175.76 176.62 1ktj n ASN 44 N 4.62 4.60 -3.53 0.00 0.23 -1.26 0.42 115.26 120.35 1ktj n ASN 44 Ca 0.16 -2.48 -0.09 0.00 -0.53 0.00 0.00 54.58 51.64 1ktj n ASN 44 Cb 0.37 -0.55 -0.03 0.00 -2.08 0.00 0.00 39.78 37.48 1ktj n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ktj s GLN 45 N -1.89 0.73 -0.05 -3.83 -2.07 -1.26 -4.93 119.66 106.35 1ktj s GLN 45 Ca 0.49 -0.13 -0.25 0.00 -1.82 0.00 0.00 55.36 53.64 1ktj s GLN 45 Cb 0.32 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.54 1ktj s GLN 45 CO 0.23 -0.29 0.77 -0.80 -1.32 0.00 0.00 175.29 173.87 1ktj s ASN 46 N -1.99 7.08 -0.16 12.60 0.01 -1.26 -2.43 114.94 128.78 1ktj s ASN 46 Ca 0.03 1.30 -0.16 0.00 -0.71 0.00 0.00 52.86 53.32 1ktj s ASN 46 Cb -0.01 -2.45 0.04 0.00 0.41 0.00 0.00 41.25 39.25 1ktj s ASN 46 CO -0.05 -0.15 0.46 0.28 -1.51 0.00 0.00 177.10 176.12 1ktj s THR 47 N 0.87 0.00 -0.97 1.60 -1.32 -0.82 -4.76 115.64 110.24 1ktj s THR 47 Ca 0.41 -0.02 0.23 0.00 -1.21 0.00 0.00 61.69 61.11 1ktj s THR 47 Cb -0.18 -0.65 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 1ktj s THR 47 CO 0.20 -0.01 1.17 0.29 -2.21 0.00 0.00 174.62 174.07 1ktj n LYS 48 N 2.75 0.02 -4.26 7.08 5.02 -1.26 0.52 118.16 128.04 1ktj n LYS 48 Ca -0.14 -0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.86 1ktj n LYS 48 Cb 0.57 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1ktj n LYS 48 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ktj s THR 49 N -3.02 3.17 -0.30 -0.18 2.01 -1.26 -4.74 115.64 111.33 1ktj s THR 49 Ca 0.09 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.75 1ktj s THR 49 Cb 0.17 -2.48 0.20 0.00 0.01 0.00 0.00 72.50 70.40 1ktj s THR 49 CO 0.78 0.09 0.66 0.00 -0.69 0.00 0.00 174.62 175.46 1ktj s ALA 50 N -1.22 -2.64 -0.07 7.40 0.00 -1.25 -4.28 121.76 119.70 1ktj s ALA 50 Ca 0.20 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1ktj s ALA 50 Cb -0.11 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1ktj s ALA 50 CO 0.13 -1.89 -0.18 0.15 0.00 0.00 0.00 175.76 173.97 1ktj s LYS 51 N 2.81 2.70 -0.14 0.00 -0.14 -0.54 -0.84 119.74 123.58 1ktj s LYS 51 Ca 0.13 -0.76 -0.09 0.00 -1.36 0.00 0.00 55.97 53.89 1ktj s LYS 51 Cb -0.09 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1ktj s LYS 51 CO -0.25 0.46 0.16 0.42 -0.76 0.00 0.00 175.35 175.38 1ktj s ILE 52 N -0.32 5.44 -0.10 2.17 1.01 0.13 -1.05 121.20 128.47 1ktj s ILE 52 Ca 0.02 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1ktj s ILE 52 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1ktj s ILE 52 CO 0.02 0.54 -0.22 -1.61 0.00 0.00 0.00 174.94 173.68 1ktj s GLU 53 N -0.47 2.83 -0.08 2.79 2.02 -0.30 -4.71 118.70 120.78 1ktj s GLU 53 Ca 0.13 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1ktj s GLU 53 Cb -0.12 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1ktj s GLU 53 CO 0.02 0.12 -0.07 0.42 0.02 0.00 0.00 175.26 175.77 1ktj s ILE 54 N 0.49 3.65 -0.04 -1.63 -1.09 -1.26 -1.05 121.20 120.27 1ktj s ILE 54 Ca -0.16 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1ktj s ILE 54 Cb -0.17 -2.50 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1ktj s ILE 54 CO 0.06 0.58 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.61 1ktj s LYS 55 N -0.57 1.96 0.02 2.79 -0.14 -0.06 -4.91 119.74 118.82 1ktj s LYS 55 Ca 0.09 -0.71 0.08 0.00 -1.36 0.00 0.00 55.97 54.06 1ktj s LYS 55 Cb -0.12 -1.73 -0.02 0.00 -1.68 0.00 0.00 37.83 34.28 1ktj s LYS 55 CO 0.02 0.32 -0.23 0.00 -0.76 0.00 0.00 175.35 174.70 1ktj s ALA 56 N -0.13 1.95 -0.05 5.17 0.00 -1.26 -0.46 121.76 126.97 1ktj s ALA 56 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1ktj s ALA 56 Cb -0.11 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ktj s ALA 56 CO 0.02 0.46 -0.11 0.45 0.00 0.00 0.00 175.76 176.58 1ktj s SER 57 N -0.93 1.57 -0.22 0.00 0.15 0.21 -1.39 113.70 113.09 1ktj s SER 57 Ca 0.09 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.50 1ktj s SER 57 Cb -0.09 -0.66 0.04 0.00 -1.71 0.00 0.00 66.02 63.60 1ktj s SER 57 CO 0.01 0.04 -0.14 -0.63 1.20 0.00 0.00 173.24 173.71 1ktj s ILE 58 N 0.56 2.04 -1.53 6.45 1.01 -0.29 -1.33 121.20 128.11 1ktj s ILE 58 Ca -0.11 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 1ktj s ILE 58 Cb -0.14 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.39 1ktj s ILE 58 CO 0.02 0.23 0.77 0.47 0.00 0.00 0.00 174.94 176.43 1ktj n ASP 59 N 4.55 -2.90 0.00 3.58 8.00 0.67 -0.88 116.55 129.57 1ktj n ASP 59 Ca -0.17 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1ktj n ASP 59 Cb 0.46 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 1ktj n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ktj n GLY 60 N -1.66 0.37 3.23 0.44 0.00 -1.26 -5.04 105.19 101.27 1ktj n GLY 60 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ktj n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ktj s LEU 61 N 0.00 2.26 0.25 0.99 1.43 -0.06 -5.08 118.68 118.49 1ktj s LEU 61 Ca 0.00 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1ktj s LEU 61 Cb 0.00 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.64 1ktj s LEU 61 CO 0.00 0.11 1.38 -0.70 0.23 0.00 0.00 176.35 177.37 1ktj s GLU 62 N 0.66 4.31 0.01 1.70 2.12 -1.26 -1.14 118.70 125.10 1ktj s GLU 62 Ca -0.10 2.23 0.04 0.00 0.36 0.00 0.00 54.97 57.50 1ktj s GLU 62 Cb -0.16 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 1ktj s GLU 62 CO 0.02 -0.34 -0.12 0.54 -0.54 0.00 0.00 175.26 174.82 1ktj s VAL 63 N -0.20 0.97 0.30 3.70 0.11 -0.49 -4.93 120.40 119.86 1ktj s VAL 63 Ca 0.57 -0.66 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 1ktj s VAL 63 Cb -0.40 -0.84 -0.10 0.00 -1.53 0.00 0.00 36.38 33.51 1ktj s VAL 63 CO 0.44 0.17 1.26 -0.62 -3.33 0.00 0.00 175.10 173.02 1ktj s ASP 64 N -0.56 6.90 -0.34 3.54 2.15 -1.26 -4.09 116.67 123.01 1ktj s ASP 64 Ca 0.03 2.56 -0.09 0.00 0.43 0.00 0.00 52.55 55.48 1ktj s ASP 64 Cb -0.06 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1ktj s ASP 64 CO 0.00 -0.44 0.14 -0.69 -0.17 0.00 0.00 175.17 174.01 1ktj s VAL 65 N -1.00 4.25 0.58 1.11 1.01 -1.26 -5.03 120.40 120.06 1ktj s VAL 65 Ca 0.49 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1ktj s VAL 65 Cb -0.38 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ktj s VAL 65 CO 0.48 -0.09 0.88 -2.16 0.00 0.00 0.00 175.10 174.21 1ktj s PRO 66 N 1.52 2.93 0.00 2.72 0.04 -1.26 -4.50 135.00 136.45 1ktj s PRO 66 Ca 0.02 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1ktj s PRO 66 Cb -0.18 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1ktj s PRO 66 CO 0.05 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1ktj n GLY 67 N -2.54 0.58 3.40 0.56 0.00 -1.26 -4.97 105.19 100.96 1ktj n GLY 67 Ca 0.04 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1ktj n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ktj s ILE 68 N -2.00 3.65 -0.40 -0.61 -1.09 -1.26 -4.83 121.20 114.66 1ktj s ILE 68 Ca 0.00 -0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 57.75 1ktj s ILE 68 Cb 0.00 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.27 1ktj s ILE 68 CO 0.00 0.45 0.88 -0.62 -1.23 0.00 0.00 174.94 174.42 1ktj s ASP 69 N 0.97 6.58 0.44 3.58 -1.08 -1.26 -4.93 116.67 120.97 1ktj s ASP 69 Ca 0.00 0.37 0.30 0.00 -0.52 0.00 0.00 52.55 52.70 1ktj s ASP 69 Cb -0.15 -2.44 1.26 0.00 -1.46 0.00 0.00 42.92 40.14 1ktj s ASP 69 CO 0.01 -0.88 1.89 1.55 0.52 0.00 0.00 175.17 178.26 1ktj h PRO 70 N 8.66 0.00 -5.59 4.34 0.13 -1.98 -3.39 132.00 134.18 1ktj h PRO 70 Ca -0.24 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.27 1ktj h PRO 70 Cb 1.08 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 1ktj h PRO 70 CO 0.97 0.00 0.60 1.21 -0.23 0.00 0.00 178.00 180.55 1ktj s ASN 71 N -5.05 6.19 0.50 1.44 3.84 -1.26 -0.69 114.94 119.91 1ktj s ASN 71 Ca 0.02 -0.86 0.29 0.00 0.21 0.00 0.00 52.86 52.52 1ktj s ASN 71 Cb 0.09 -2.44 1.11 0.00 -0.55 0.00 0.00 41.25 39.46 1ktj s ASN 71 CO 0.47 -1.46 1.89 0.00 -2.79 0.00 0.00 177.10 175.21 1ktj h ALA 72 N 9.59 1.00 0.00 1.71 0.00 -1.19 -2.19 119.26 128.18 1ktj h ALA 72 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ktj h ALA 72 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ktj h ALA 72 CO 1.18 0.09 0.00 0.00 0.00 0.00 0.00 179.25 180.53 1ktj h HIS 74 N 0.00 0.00 -0.14 0.00 3.86 -1.76 -3.10 115.15 114.01 1ktj h HIS 74 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ktj h HIS 74 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1ktj h HIS 74 CO 0.00 0.04 0.00 0.66 0.86 0.00 0.00 177.93 179.49 1ktj n TYR 75 N -3.89 0.33 -4.06 2.45 4.01 -0.65 -5.02 117.16 110.33 1ktj n TYR 75 Ca -0.03 -0.75 -0.10 0.00 -0.16 0.00 0.00 57.90 56.86 1ktj n TYR 75 Cb 0.13 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 1ktj n TYR 75 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1ktj s MET 76 N -2.04 1.35 -0.89 -0.72 -1.94 -1.17 -4.73 119.30 109.16 1ktj s MET 76 Ca 0.25 -1.37 -0.15 0.00 -1.71 0.00 0.00 55.69 52.71 1ktj s MET 76 Cb 0.20 0.38 0.20 0.00 2.01 0.00 0.00 34.83 37.62 1ktj s MET 76 CO 0.06 -0.51 0.91 0.21 -0.01 0.00 0.00 175.02 175.68 1ktj s LYS 77 N -4.06 3.68 0.56 2.03 2.36 -1.26 -4.80 119.74 118.25 1ktj s LYS 77 Ca 0.27 -2.37 -0.08 0.00 -2.55 0.00 0.00 55.97 51.24 1ktj s LYS 77 Cb 0.03 -4.58 -0.04 0.00 -1.05 0.00 0.00 37.83 32.18 1ktj s LYS 77 CO 0.09 -1.42 0.92 0.00 1.55 0.00 0.00 175.35 176.48 1ktj s PRO 79 N -4.97 2.32 0.12 0.00 0.05 -1.26 -5.10 135.00 126.17 1ktj s PRO 79 Ca 0.52 1.14 -0.20 0.00 0.05 0.00 0.00 61.00 62.51 1ktj s PRO 79 Cb -0.11 -1.91 -0.07 0.00 0.05 0.00 0.00 34.50 32.47 1ktj s PRO 79 CO 0.50 -1.59 0.64 -0.51 0.05 0.00 0.00 177.00 176.08 1ktj s LEU 80 N -5.89 4.50 -0.25 -3.56 1.43 0.19 -4.93 118.68 110.17 1ktj s LEU 80 Ca 0.61 1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 1ktj s LEU 80 Cb -0.17 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1ktj s LEU 80 CO 0.56 0.21 0.13 -0.69 0.23 0.00 0.00 176.35 176.79 1ktj s VAL 81 N -1.21 4.96 0.06 -1.59 1.01 -1.26 -1.95 120.40 120.43 1ktj s VAL 81 Ca 0.33 0.05 -0.37 0.00 0.00 0.00 0.00 61.98 61.99 1ktj s VAL 81 Cb -0.20 -3.33 -0.19 0.00 0.00 0.00 0.00 36.38 32.67 1ktj s VAL 81 CO 0.21 0.32 1.03 1.17 0.00 0.00 0.00 175.10 177.83 1ktj n LYS 82 N 4.65 0.28 0.00 2.72 4.81 -1.02 -1.43 118.16 128.18 1ktj n LYS 82 Ca -0.15 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1ktj n LYS 82 Cb 0.52 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1ktj n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ktj n GLY 83 N 1.77 3.15 3.81 3.14 0.00 0.17 -4.92 105.19 112.31 1ktj n GLY 83 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1ktj n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ktj s GLN 84 N -0.39 4.09 -0.10 1.61 -0.21 -0.51 -4.79 119.66 119.35 1ktj s GLN 84 Ca 0.00 1.20 -0.12 0.00 0.02 0.00 0.00 55.36 56.46 1ktj s GLN 84 Cb 0.00 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 1ktj s GLN 84 CO 0.00 -0.16 0.27 -0.65 -2.12 0.00 0.00 175.29 172.64 1ktj s GLN 85 N -3.19 3.91 0.09 2.91 -0.21 -1.26 -0.58 119.66 121.33 1ktj s GLN 85 Ca 0.64 0.11 0.10 0.00 0.02 0.00 0.00 55.36 56.22 1ktj s GLN 85 Cb -0.11 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 1ktj s GLN 85 CO 0.15 0.54 -0.25 0.71 -2.12 0.00 0.00 175.29 174.32 1ktj s TYR 86 N -0.44 2.16 -0.17 0.91 2.02 0.57 -4.97 117.35 117.43 1ktj s TYR 86 Ca 0.18 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1ktj s TYR 86 Cb -0.14 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1ktj s TYR 86 CO 0.06 0.22 -0.11 0.34 -1.57 0.00 0.00 175.55 174.50 1ktj s ASP 87 N -1.67 4.01 -0.09 2.29 -1.08 -1.26 -1.09 116.67 117.78 1ktj s ASP 87 Ca 0.11 -0.39 0.04 0.00 -0.52 0.00 0.00 52.55 51.80 1ktj s ASP 87 Cb -0.10 -1.64 -0.01 0.00 -1.46 0.00 0.00 42.92 39.72 1ktj s ASP 87 CO 0.04 0.08 -0.23 -0.51 0.52 0.00 0.00 175.17 175.07 1ktj s ILE 88 N 0.85 2.16 -0.09 4.11 2.07 0.11 -4.93 121.20 125.49 1ktj s ILE 88 Ca -0.03 -1.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.25 1ktj s ILE 88 Cb -0.15 -1.82 -0.01 0.00 0.13 0.00 0.00 42.46 40.62 1ktj s ILE 88 CO 0.00 0.56 -0.22 -0.54 -1.91 0.00 0.00 174.94 172.84 1ktj s LYS 89 N 0.14 2.89 -0.16 3.50 1.02 -1.26 -1.20 119.74 124.67 1ktj s LYS 89 Ca -0.12 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1ktj s LYS 89 Cb -0.16 -2.32 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1ktj s LYS 89 CO 0.07 0.29 0.38 -0.47 -0.92 0.00 0.00 175.35 174.70 1ktj s TYR 90 N 0.07 -0.54 -0.29 3.18 5.04 -0.49 -5.03 117.35 119.30 1ktj s TYR 90 Ca -0.09 1.18 -0.08 0.00 -2.44 0.00 0.00 57.07 55.63 1ktj s TYR 90 Cb -0.15 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 1ktj s TYR 90 CO 0.06 -0.31 0.12 0.99 -1.34 0.00 0.00 175.55 175.07 1ktj s THR 91 N 1.22 4.41 -0.05 4.34 2.01 -1.26 -0.79 115.64 125.52 1ktj s THR 91 Ca -0.08 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 1ktj s THR 91 Cb -0.08 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1ktj s THR 91 CO -0.10 0.13 0.35 0.86 -0.69 0.00 0.00 174.62 175.17 1ktj s TRP 92 N 1.59 3.66 -0.37 4.92 -0.00 -0.17 -4.89 118.94 123.68 1ktj s TRP 92 Ca 0.05 0.86 -0.22 0.00 -0.00 0.00 0.00 56.10 56.78 1ktj s TRP 92 Cb -0.17 -2.25 0.01 0.00 -0.00 0.00 0.00 33.47 31.06 1ktj s TRP 92 CO 0.05 0.58 0.72 -0.80 -0.00 0.00 0.00 176.95 177.50 1ktj s ASN 93 N -0.76 6.48 -0.26 5.86 0.01 -1.26 0.27 114.94 125.27 1ktj s ASN 93 Ca 0.21 0.19 -0.29 0.00 -0.71 0.00 0.00 52.86 52.26 1ktj s ASN 93 Cb -0.15 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 1ktj s ASN 93 CO 0.10 -0.70 1.28 -0.69 -1.51 0.00 0.00 177.10 175.58 1ktj s VAL 94 N 2.95 4.21 0.22 1.60 1.01 -0.57 -4.96 120.40 124.86 1ktj s VAL 94 Ca 0.28 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 1ktj s VAL 94 Cb -0.14 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 1ktj s VAL 94 CO 0.17 -0.36 0.85 -2.65 0.00 0.00 0.00 175.10 173.11 1ktj n PRO 95 N 7.05 0.73 0.28 2.72 -0.02 -1.26 -0.37 135.00 144.13 1ktj n PRO 95 Ca 0.14 0.26 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1ktj n PRO 95 Cb 0.46 -1.51 0.84 0.00 -0.02 0.00 0.00 33.50 33.27 1ktj n PRO 95 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ktj h LYS 96 N 1.88 0.00 -0.50 -0.52 3.64 -1.92 -2.84 116.57 116.31 1ktj h LYS 96 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1ktj h LYS 96 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ktj h LYS 96 CO 0.61 0.06 0.00 1.51 -2.27 0.00 0.00 179.45 179.36 1ktj n ILE 97 N -3.60 1.42 -2.11 2.00 0.13 -1.26 -4.67 119.36 111.27 1ktj n ILE 97 Ca -0.02 -1.18 -0.41 0.00 -1.10 0.00 0.00 62.75 60.04 1ktj n ILE 97 Cb 0.18 0.29 -0.03 0.00 -0.84 0.00 0.00 39.64 39.24 1ktj n ILE 97 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ktj s ALA 98 N -1.49 3.59 0.18 1.51 0.00 -1.08 -4.93 121.76 119.53 1ktj s ALA 98 Ca 0.39 1.22 -0.33 0.00 0.00 0.00 0.00 51.96 53.24 1ktj s ALA 98 Cb 0.24 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 1ktj s ALA 98 CO 0.21 -0.64 1.69 -2.30 0.00 0.00 0.00 175.76 174.72 1ktj n PRO 99 N 2.71 2.55 -2.33 0.00 -0.02 -1.26 -4.97 135.00 131.67 1ktj n PRO 99 Ca 0.07 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.07 1ktj n PRO 99 Cb 0.41 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1ktj n PRO 99 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ktj s LYS 100 N 1.32 4.47 -0.09 -0.52 1.02 -1.26 -4.84 119.74 119.82 1ktj s LYS 100 Ca 0.77 1.94 -0.30 0.00 0.02 0.00 0.00 55.97 58.40 1ktj s LYS 100 Cb -0.57 -3.07 0.10 0.00 -0.52 0.00 0.00 37.83 33.77 1ktj s LYS 100 CO 0.35 0.01 0.84 0.45 -0.92 0.00 0.00 175.35 176.08 1ktj s SER 101 N -0.79 -0.51 0.00 2.83 0.15 -0.57 -4.99 113.70 109.82 1ktj s SER 101 Ca 0.48 0.51 0.13 0.00 0.70 0.00 0.00 55.95 57.77 1ktj s SER 101 Cb -0.34 0.42 0.19 0.00 -1.71 0.00 0.00 66.02 64.58 1ktj s SER 101 CO 0.44 -0.49 1.04 -0.62 1.20 0.00 0.00 173.24 174.81 1ktj n GLU 102 N 0.73 1.51 -3.74 5.44 -0.58 -1.26 -1.62 120.64 121.12 1ktj n GLU 102 Ca -0.14 -1.57 -0.29 0.00 -0.42 0.00 0.00 57.16 54.73 1ktj n GLU 102 Cb 0.58 -1.27 -0.13 0.00 -0.57 0.00 0.00 31.44 30.05 1ktj n GLU 102 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ktj s ASN 103 N -1.04 3.70 -0.12 1.62 3.04 -1.26 -4.92 114.94 115.96 1ktj s ASN 103 Ca 0.19 -2.77 0.02 0.00 0.04 0.00 0.00 52.86 50.34 1ktj s ASN 103 Cb 0.12 -1.11 0.01 0.00 -1.54 0.00 0.00 41.25 38.72 1ktj s ASN 103 CO 0.17 -0.25 -0.19 -0.69 -3.04 0.00 0.00 177.10 173.10 1ktj s VAL 104 N 0.14 1.77 -0.15 -5.21 1.01 -1.26 -0.24 120.40 116.47 1ktj s VAL 104 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1ktj s VAL 104 Cb -0.22 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1ktj s VAL 104 CO -0.02 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.67 1ktj s VAL 105 N 0.85 2.06 -0.09 2.92 1.01 -0.44 -4.39 120.40 122.32 1ktj s VAL 105 Ca -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1ktj s VAL 105 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ktj s VAL 105 CO -0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1ktj s VAL 106 N 0.94 2.76 -0.14 2.92 1.01 -0.30 -0.62 120.40 126.96 1ktj s VAL 106 Ca -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ktj s VAL 106 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ktj s VAL 106 CO -0.05 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.54 1ktj s THR 107 N -0.01 1.79 -0.15 3.92 2.01 0.39 -0.58 115.64 123.01 1ktj s THR 107 Ca -0.05 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1ktj s THR 107 Cb -0.14 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.76 1ktj s THR 107 CO 0.04 0.50 -0.21 0.54 -0.69 0.00 0.00 174.62 174.80 1ktj s VAL 108 N 1.13 2.03 -0.07 3.82 0.11 -0.39 -0.88 120.40 126.16 1ktj s VAL 108 Ca -0.01 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1ktj s VAL 108 Cb -0.14 -1.82 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1ktj s VAL 108 CO -0.06 0.54 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.49 1ktj s LYS 109 N 1.02 2.67 -0.16 1.54 1.02 -0.22 -1.53 119.74 124.08 1ktj s LYS 109 Ca -0.02 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 1ktj s LYS 109 Cb -0.14 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1ktj s LYS 109 CO -0.06 0.39 -0.08 0.08 -0.92 0.00 0.00 175.35 174.75 1ktj s VAL 110 N -0.16 3.42 -0.13 3.17 1.01 0.46 -1.15 120.40 127.02 1ktj s VAL 110 Ca -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1ktj s VAL 110 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1ktj s VAL 110 CO 0.04 0.50 -0.11 -0.04 0.00 0.00 0.00 175.10 175.48 1ktj s MET 111 N 0.55 3.43 0.02 2.72 1.00 -0.22 0.21 119.30 127.01 1ktj s MET 111 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 55.69 54.99 1ktj s MET 111 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 34.83 32.00 1ktj s MET 111 CO 0.03 0.23 0.02 0.41 0.00 0.00 0.00 175.02 175.71 1ktj n GLY 112 N 3.50 2.80 0.39 -0.03 0.00 0.07 -1.47 105.19 110.45 1ktj n GLY 112 Ca -0.18 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.51 1ktj n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ktj h ASP 113 N 0.02 -0.96 -2.33 1.61 3.32 -1.87 -3.24 116.42 112.98 1ktj h ASP 113 Ca -0.01 0.07 -0.72 0.00 0.02 0.00 0.00 57.03 56.39 1ktj h ASP 113 Cb 0.05 0.30 -0.34 0.00 0.22 0.00 0.00 39.33 39.57 1ktj h ASP 113 CO 0.02 -0.54 0.29 0.47 -1.72 0.00 0.00 179.24 177.76 1ktj n ASP 114 N -5.49 5.97 0.00 6.45 8.00 -1.26 -5.04 116.55 125.18 1ktj n ASP 114 Ca -0.11 -3.64 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1ktj n ASP 114 Cb 0.38 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1ktj n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ktj n GLY 115 N 0.09 0.83 3.69 0.44 0.00 -1.23 -5.01 105.19 104.01 1ktj n GLY 115 Ca 0.38 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1ktj n GLY 115 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ktj s VAL 116 N -1.07 2.77 -0.00 1.61 -7.23 -1.26 -0.75 120.40 114.47 1ktj s VAL 116 Ca 0.00 0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 1ktj s VAL 116 Cb 0.00 -3.20 -0.27 0.00 0.56 0.00 0.00 36.38 33.47 1ktj s VAL 116 CO 0.00 0.00 0.84 -0.07 -0.31 0.00 0.00 175.10 175.56 1ktj h LEU 117 N 8.31 0.37 -7.00 1.32 3.38 -0.56 -3.45 115.31 117.68 1ktj h LEU 117 Ca -0.44 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 57.13 1ktj h LEU 117 Cb 1.21 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1ktj h LEU 117 CO 0.94 1.44 0.57 0.00 0.09 0.00 0.00 178.44 181.47 1ktj s ALA 118 N -2.62 -1.91 -0.19 1.53 0.00 -1.10 -4.75 121.76 112.72 1ktj s ALA 118 Ca -0.09 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1ktj s ALA 118 Cb 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1ktj s ALA 118 CO 0.85 -0.49 0.47 0.00 0.00 0.00 0.00 175.76 176.59 1ktj s ALA 120 N 1.16 -0.40 -0.09 0.00 0.00 -0.58 -1.72 121.76 120.12 1ktj s ALA 120 Ca -0.07 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1ktj s ALA 120 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1ktj s ALA 120 CO -0.11 -0.10 -0.22 0.42 0.00 0.00 0.00 175.76 175.76 1ktj s ILE 121 N -0.16 2.31 -0.13 0.00 1.01 0.54 -1.26 121.20 123.51 1ktj s ILE 121 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1ktj s ILE 121 Cb -0.02 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1ktj s ILE 121 CO 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.32 1ktj s ALA 122 N 0.18 1.97 -0.09 9.38 0.00 0.25 -0.59 121.76 132.86 1ktj s ALA 122 Ca -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1ktj s ALA 122 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1ktj s ALA 122 CO 0.07 -0.08 0.68 0.25 0.00 0.00 0.00 175.76 176.67 1ktj n THR 123 N 4.19 0.31 -0.09 0.00 -2.24 -1.26 -1.15 114.28 114.04 1ktj n THR 123 Ca -0.19 -0.65 0.08 0.00 -2.27 0.00 0.00 64.05 61.01 1ktj n THR 123 Cb 0.51 0.86 0.18 0.00 -2.10 0.00 0.00 70.33 69.78 1ktj n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ktj n HIS 124 N -0.10 0.53 -2.68 4.78 8.25 -1.26 -4.65 115.22 120.09 1ktj n HIS 124 Ca 0.01 -0.42 -0.39 0.00 -0.26 0.00 0.00 57.72 56.66 1ktj n HIS 124 Cb 0.09 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1ktj n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ktj s ALA 125 N -1.05 3.31 -0.03 -1.41 0.00 -1.26 -0.52 121.76 120.81 1ktj s ALA 125 Ca 0.29 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1ktj s ALA 125 Cb 0.16 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1ktj s ALA 125 CO 0.21 0.09 -0.19 0.15 0.00 0.00 0.00 175.76 176.01 1ktj s LYS 126 N -1.50 1.77 -0.32 0.00 -0.14 -0.18 -4.18 119.74 115.18 1ktj s LYS 126 Ca 0.45 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.23 1ktj s LYS 126 Cb -0.26 -1.62 -0.02 0.00 -1.68 0.00 0.00 37.83 34.25 1ktj s LYS 126 CO 0.32 0.35 0.31 0.42 -0.76 0.00 0.00 175.35 176.00 1ktj s ILE 127 N -0.24 5.21 0.30 2.17 1.01 -0.64 0.02 121.20 129.04 1ktj s ILE 127 Ca 0.02 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1ktj s ILE 127 Cb -0.10 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1ktj s ILE 127 CO 0.01 0.02 0.10 -0.13 0.00 0.00 0.00 174.94 174.93 1ktj s ARG 128 N 1.93 1.57 0.00 2.79 0.52 -0.87 -1.52 118.95 123.38 1ktj s ARG 128 Ca 0.10 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 1ktj s ARG 128 Cb -0.16 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1ktj s ARG 128 CO 0.11 -0.30 0.00 -0.25 0.02 0.00 0.00 175.30 174.88