#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 4.26 0.16 4.33 2.12 -1.26 -0.36 118.70 127.95 1ktj s GLU 2 Ca 0.00 2.11 0.07 0.00 0.36 0.00 0.00 54.97 57.52 1ktj s GLU 2 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1ktj s GLU 2 CO 0.00 -0.59 -0.03 0.14 -0.54 0.00 0.00 175.26 174.24 1ktj s VAL 3 N 2.09 3.58 -0.18 3.70 -7.23 -0.41 -0.48 120.40 121.48 1ktj s VAL 3 Ca 0.67 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 59.17 1ktj s VAL 3 Cb -0.36 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1ktj s VAL 3 CO 0.29 -0.07 0.76 -1.81 -0.31 0.00 0.00 175.10 173.96 1ktj s ASP 4 N -2.80 6.86 0.17 4.85 1.01 0.21 -4.60 116.67 122.37 1ktj s ASP 4 Ca 0.26 1.05 0.07 0.00 0.71 0.00 0.00 52.55 54.64 1ktj s ASP 4 Cb -0.10 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1ktj s ASP 4 CO 0.17 -0.35 -0.14 0.68 0.21 0.00 0.00 175.17 175.74 1ktj s VAL 5 N 2.05 1.53 -0.30 -1.27 -7.23 -1.26 -4.76 120.40 109.16 1ktj s VAL 5 Ca 0.35 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 1ktj s VAL 5 Cb -0.16 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1ktj s VAL 5 CO 0.12 -0.54 0.43 -0.75 -0.31 0.00 0.00 175.10 174.04 1ktj s LYS 6 N -3.30 3.87 0.28 4.82 2.20 0.91 -4.92 119.74 123.61 1ktj s LYS 6 Ca 0.17 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1ktj s LYS 6 Cb -0.02 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 1ktj s LYS 6 CO 0.05 -0.41 1.31 0.34 -0.36 0.00 0.00 175.35 176.28 1ktj s ASP 7 N 1.66 6.83 -0.14 1.43 2.15 -1.26 -0.41 116.67 126.94 1ktj s ASP 7 Ca 0.16 2.58 0.15 0.00 0.43 0.00 0.00 52.55 55.88 1ktj s ASP 7 Cb -0.16 -2.63 0.31 0.00 -0.30 0.00 0.00 42.92 40.14 1ktj s ASP 7 CO 0.11 -0.53 1.16 0.00 -0.17 0.00 0.00 175.17 175.74 1ktj n ALA 9 N -1.16 0.36 -2.79 0.00 0.00 -1.26 -4.84 120.51 110.83 1ktj n ALA 9 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ktj n ALA 9 Cb 0.68 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.20 1ktj n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ktj n ASN 10 N 0.00 0.83 -1.78 0.00 4.05 -1.26 -5.01 115.26 112.09 1ktj n ASN 10 Ca 0.00 -2.07 -0.16 0.00 0.45 0.00 0.00 54.58 52.81 1ktj n ASN 10 Cb 0.00 -0.20 -0.01 0.00 1.23 0.00 0.00 39.78 40.80 1ktj n ASN 10 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1ktj n HIS 11 N -0.79 -0.75 0.08 1.20 8.25 -1.26 -4.90 115.22 117.04 1ktj n HIS 11 Ca 0.01 0.01 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1ktj n HIS 11 Cb 0.83 -3.22 0.20 0.00 1.12 0.00 0.00 29.99 28.92 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 -0.02 0.29 -6.19 -0.41 3.07 -1.87 -3.41 114.58 106.04 1ktj h GLU 12 Ca -0.37 -0.14 -0.56 0.00 -0.50 0.00 0.00 59.36 57.79 1ktj h GLU 12 Cb 1.27 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1ktj h GLU 12 CO 0.44 0.66 0.95 0.42 -1.40 0.00 0.00 179.01 180.08 1ktj s ILE 13 N -4.16 4.10 -0.19 3.13 1.01 -1.26 -1.04 121.20 122.79 1ktj s ILE 13 Ca -0.05 1.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 1ktj s ILE 13 Cb 0.13 -3.88 -0.20 0.00 0.01 0.00 0.00 42.46 38.52 1ktj s ILE 13 CO 0.78 -0.14 0.12 0.29 0.00 0.00 0.00 174.94 175.99 1ktj n LYS 14 N 6.79 0.65 -3.66 2.79 4.76 0.64 -4.97 118.16 125.16 1ktj n LYS 14 Ca 0.15 0.35 -0.11 0.00 -2.87 0.00 0.00 58.31 55.83 1ktj n LYS 14 Cb 0.44 -1.66 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.48 0.68 -0.22 1.97 -2.85 -0.97 -5.00 119.74 110.88 1ktj s LYS 15 Ca -0.29 0.97 -0.04 0.00 -1.00 0.00 0.00 55.97 55.61 1ktj s LYS 15 Cb 0.08 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1ktj s LYS 15 CO 0.64 -0.12 -0.03 0.08 0.10 0.00 0.00 175.35 176.03 1ktj s VAL 16 N 0.88 3.55 -0.19 1.79 1.01 -1.26 -1.15 120.40 125.03 1ktj s VAL 16 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1ktj s VAL 16 Cb -0.05 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1ktj s VAL 16 CO -0.07 0.42 -0.04 -0.76 0.00 0.00 0.00 175.10 174.64 1ktj s LEU 17 N 1.36 3.00 -0.24 3.92 2.01 0.92 -1.29 118.68 128.36 1ktj s LEU 17 Ca 0.04 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.89 1ktj s LEU 17 Cb -0.14 -1.75 0.06 0.00 0.01 0.00 0.00 46.19 44.37 1ktj s LEU 17 CO -0.01 0.05 -0.07 -0.69 1.01 0.00 0.00 176.35 176.64 1ktj s VAL 18 N 1.05 1.75 -0.03 -1.59 1.01 0.51 -1.17 120.40 121.94 1ktj s VAL 18 Ca 0.01 -1.36 -0.36 0.00 0.00 0.00 0.00 61.98 60.27 1ktj s VAL 18 Cb -0.15 -1.96 -0.14 0.00 0.00 0.00 0.00 36.38 34.13 1ktj s VAL 18 CO 0.00 -0.07 1.65 -2.65 0.00 0.00 0.00 175.10 174.02 1ktj n PRO 19 N 4.59 1.70 -0.26 2.72 -0.02 -1.26 -1.76 135.00 140.72 1ktj n PRO 19 Ca -0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1ktj n PRO 19 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1ktj n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ktj n GLY 20 N 3.66 0.74 3.39 -1.23 0.00 -1.26 -4.94 105.19 105.55 1ktj n GLY 20 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.03 -0.58 0.00 0.00 -3.43 -1.26 -4.22 115.29 102.77 1ktj s HIS 22 Ca 0.27 1.24 0.00 0.00 -0.80 0.00 0.00 55.06 55.77 1ktj s HIS 22 Cb 0.02 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 1ktj s HIS 22 CO 0.10 -0.39 0.00 0.41 -2.00 0.00 0.00 174.74 172.86 1ktj n GLY 23 N 1.69 2.53 1.13 -1.38 0.00 0.37 -2.69 105.19 106.84 1ktj n GLY 23 Ca -0.14 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.45 4.01 -4.77 1.61 7.64 -1.26 -0.62 113.62 120.68 1ktj n SER 24 Ca 0.00 -2.48 -0.36 0.00 1.01 0.00 0.00 58.87 57.04 1ktj n SER 24 Cb 0.00 -0.47 0.00 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 -1.88 3.39 -0.41 1.43 2.02 -1.09 -4.94 118.70 117.22 1ktj s GLU 25 Ca 0.41 1.70 -0.44 0.00 0.02 0.00 0.00 54.97 56.66 1ktj s GLU 25 Cb 0.27 -2.10 -0.18 0.00 0.10 0.00 0.00 34.13 32.23 1ktj s GLU 25 CO 0.18 -0.84 1.70 -2.30 0.02 0.00 0.00 175.26 174.02 1ktj n PRO 26 N -1.13 0.50 -3.39 0.39 -0.02 -1.26 -4.72 135.00 125.37 1ktj n PRO 26 Ca 0.11 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1ktj n PRO 26 Cb 0.50 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.98 4.98 -0.33 0.00 -1.09 -1.26 -1.52 121.20 123.94 1ktj s ILE 28 Ca 0.10 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.70 1ktj s ILE 28 Cb -0.17 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1ktj s ILE 28 CO 0.12 0.07 0.20 -0.63 -1.23 0.00 0.00 174.94 173.47 1ktj s ILE 29 N 2.09 4.92 -0.19 2.92 1.01 0.46 -4.94 121.20 127.47 1ktj s ILE 29 Ca 0.31 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 1ktj s ILE 29 Cb -0.16 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1ktj s ILE 29 CO 0.10 0.00 0.50 -1.00 0.00 0.00 0.00 174.94 174.55 1ktj s HIS 30 N 1.66 3.40 0.24 3.97 3.76 -1.26 -1.55 115.29 125.50 1ktj s HIS 30 Ca 0.05 0.78 -0.31 0.00 -0.15 0.00 0.00 55.06 55.43 1ktj s HIS 30 Cb -0.17 -2.64 -0.14 0.00 1.11 0.00 0.00 32.58 30.74 1ktj s HIS 30 CO 0.08 -0.05 1.26 0.54 -0.85 0.00 0.00 174.74 175.72 1ktj n ARG 31 N 4.57 1.68 -1.00 1.40 1.74 -0.74 -2.38 116.66 121.93 1ktj n ARG 31 Ca -0.05 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1ktj n ARG 31 Cb 0.51 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 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 1.81 0.82 3.37 -0.13 0.00 0.50 -4.81 105.19 106.75 1ktj n GLY 32 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 1.35 0.49 1.61 1.02 -1.00 -4.88 119.74 118.31 1ktj s LYS 33 Ca 0.00 -1.36 -0.23 0.00 0.02 0.00 0.00 55.97 54.40 1ktj s LYS 33 Cb 0.00 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.57 1ktj s LYS 33 CO 0.00 0.38 1.29 -1.25 -0.92 0.00 0.00 175.35 174.85 1ktj s PRO 34 N -2.31 3.49 -0.26 -1.68 0.04 -1.26 -1.80 135.00 131.23 1ktj s PRO 34 Ca 0.14 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1ktj s PRO 34 Cb -0.09 -2.40 0.07 0.00 0.04 0.00 0.00 34.50 32.12 1ktj s PRO 34 CO 0.07 -0.86 -0.01 0.12 0.04 0.00 0.00 177.00 176.35 1ktj s PHE 35 N -1.37 2.51 0.00 0.56 5.36 0.83 -4.87 117.98 121.00 1ktj s PHE 35 Ca 0.66 -1.95 -0.13 0.00 -0.96 0.00 0.00 56.93 54.55 1ktj s PHE 35 Cb -0.36 -1.81 -0.06 0.00 -0.34 0.00 0.00 43.02 40.45 1ktj s PHE 35 CO 0.44 -0.82 0.38 -0.65 -1.46 0.00 0.00 175.22 173.11 1ktj s GLN 36 N 1.35 3.84 0.06 10.12 -0.21 -1.26 -0.46 119.66 133.10 1ktj s GLN 36 Ca -0.01 0.31 -0.05 0.00 0.02 0.00 0.00 55.36 55.63 1ktj s GLN 36 Cb -0.19 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 1ktj s GLN 36 CO -0.09 0.68 0.10 -0.48 -2.12 0.00 0.00 175.29 173.37 1ktj s LEU 37 N -1.21 1.85 -0.01 2.90 2.34 -0.68 -4.09 118.68 119.78 1ktj s LEU 37 Ca 0.24 -0.70 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1ktj s LEU 37 Cb -0.16 0.65 0.01 0.00 -0.56 0.00 0.00 46.19 46.14 1ktj s LEU 37 CO 0.13 -0.61 0.00 -0.70 -1.06 0.00 0.00 176.35 174.11 1ktj s GLU 38 N -3.42 0.06 0.01 1.48 2.12 -0.32 -1.52 118.70 117.12 1ktj s GLU 38 Ca 0.02 0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1ktj s GLU 38 Cb 0.04 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 1ktj s GLU 38 CO -0.08 -0.04 -0.09 0.00 -0.54 0.00 0.00 175.26 174.50 1ktj s ALA 39 N 0.32 0.77 -0.14 6.30 0.00 -0.11 -0.05 121.76 128.85 1ktj s ALA 39 Ca -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1ktj s ALA 39 Cb -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1ktj s ALA 39 CO -0.01 0.15 -0.20 0.14 0.00 0.00 0.00 175.76 175.84 1ktj s VAL 40 N -0.49 1.92 0.10 0.00 -7.23 -0.30 -0.68 120.40 113.73 1ktj s VAL 40 Ca 0.01 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1ktj s VAL 40 Cb -0.05 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1ktj s VAL 40 CO 0.00 0.52 -0.02 0.72 -0.31 0.00 0.00 175.10 176.02 1ktj s PHE 41 N 0.91 0.82 -0.17 2.82 -0.71 -0.70 -0.26 117.98 120.68 1ktj s PHE 41 Ca -0.06 -1.05 -0.06 0.00 -1.04 0.00 0.00 56.93 54.73 1ktj s PHE 41 Cb -0.15 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1ktj s PHE 41 CO -0.03 -0.31 0.02 -2.00 -1.34 0.00 0.00 175.22 171.57 1ktj s GLU 42 N -3.92 3.85 0.17 1.99 2.12 -0.20 -0.36 118.70 122.34 1ktj s GLU 42 Ca 0.15 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.76 1ktj s GLU 42 Cb 0.07 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1ktj s GLU 42 CO -0.04 0.25 1.40 0.00 -0.54 0.00 0.00 175.26 176.34 1ktj s ALA 43 N 0.41 3.61 -1.70 6.30 0.00 0.26 -4.82 121.76 125.82 1ktj s ALA 43 Ca 0.00 1.19 0.20 0.00 0.00 0.00 0.00 51.96 53.36 1ktj s ALA 43 Cb -0.13 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.11 1ktj s ALA 43 CO 0.01 -0.64 1.55 0.27 0.00 0.00 0.00 175.76 176.96 1ktj n ASN 44 N 3.34 4.12 -3.56 0.00 0.23 -1.26 -0.89 115.26 117.24 1ktj n ASN 44 Ca 0.10 -2.16 -0.08 0.00 -0.53 0.00 0.00 54.58 51.91 1ktj n ASN 44 Cb 0.41 -0.51 -0.03 0.00 -2.08 0.00 0.00 39.78 37.57 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 -1.34 0.56 -0.13 -3.83 -2.07 -1.26 -4.94 119.66 106.66 1ktj s GLN 45 Ca 0.48 -0.05 -0.26 0.00 -1.82 0.00 0.00 55.36 53.71 1ktj s GLN 45 Cb 0.27 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1ktj s GLN 45 CO 0.29 -0.22 0.84 -0.80 -1.32 0.00 0.00 175.29 174.09 1ktj s ASN 46 N -1.74 7.02 -0.19 12.60 0.01 -1.26 -3.49 114.94 127.89 1ktj s ASN 46 Ca 0.03 1.25 -0.14 0.00 -0.71 0.00 0.00 52.86 53.29 1ktj s ASN 46 Cb -0.01 -2.47 0.06 0.00 0.41 0.00 0.00 41.25 39.24 1ktj s ASN 46 CO -0.04 -0.34 0.49 0.28 -1.51 0.00 0.00 177.10 175.98 1ktj s THR 47 N 1.80 -0.01 -0.17 1.60 -1.32 -0.83 -4.74 115.64 111.98 1ktj s THR 47 Ca 0.40 0.03 0.16 0.00 -1.21 0.00 0.00 61.69 61.07 1ktj s THR 47 Cb -0.17 -0.70 0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1ktj s THR 47 CO 0.15 0.01 1.35 0.11 -2.21 0.00 0.00 174.62 174.04 1ktj h LYS 48 N 6.18 0.00 -6.49 7.08 1.57 -1.94 0.42 116.57 123.40 1ktj h LYS 48 Ca -0.31 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.84 1ktj h LYS 48 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1ktj h LYS 48 CO 0.23 0.43 -0.75 0.95 -0.57 0.00 0.00 179.45 179.74 1ktj s THR 49 N -2.98 3.01 -0.30 -0.16 -4.23 -1.26 -4.75 115.64 104.97 1ktj s THR 49 Ca 0.03 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 1ktj s THR 49 Cb 0.08 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.60 1ktj s THR 49 CO 0.75 -0.10 0.41 0.00 -0.54 0.00 0.00 174.62 175.14 1ktj s ALA 50 N -1.68 -1.15 -0.13 3.99 0.00 -1.26 -4.19 121.76 117.35 1ktj s ALA 50 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1ktj s ALA 50 Cb -0.09 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1ktj s ALA 50 CO 0.14 -1.81 -0.09 0.15 0.00 0.00 0.00 175.76 174.15 1ktj s LYS 51 N 2.40 3.36 -0.15 0.00 -0.14 0.11 -1.21 119.74 124.11 1ktj s LYS 51 Ca 0.11 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 54.00 1ktj s LYS 51 Cb -0.12 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 1ktj s LYS 51 CO -0.27 0.31 0.23 0.42 -0.76 0.00 0.00 175.35 175.28 1ktj s ILE 52 N 0.13 5.35 -0.12 2.17 1.01 0.10 -0.89 121.20 128.95 1ktj s ILE 52 Ca -0.04 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1ktj s ILE 52 Cb -0.14 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1ktj s ILE 52 CO 0.04 0.46 -0.22 -1.61 0.00 0.00 0.00 174.94 173.61 1ktj s GLU 53 N 0.05 2.97 -0.07 2.79 2.02 0.35 -4.73 118.70 122.07 1ktj s GLU 53 Ca 0.14 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.34 1ktj s GLU 53 Cb -0.13 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1ktj s GLU 53 CO 0.03 0.05 -0.22 0.42 0.02 0.00 0.00 175.26 175.55 1ktj s ILE 54 N 0.67 2.30 -0.10 -1.63 1.01 -1.26 -0.91 121.20 121.27 1ktj s ILE 54 Ca -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 1ktj s ILE 54 Cb -0.16 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.47 1ktj s ILE 54 CO 0.02 0.57 -0.06 -0.75 0.00 0.00 0.00 174.94 174.72 1ktj s LYS 55 N -0.11 1.30 -0.03 2.79 2.20 -0.42 -4.86 119.74 120.61 1ktj s LYS 55 Ca -0.05 -0.17 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 1ktj s LYS 55 Cb -0.14 -1.43 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 1ktj s LYS 55 CO 0.04 -0.27 -0.25 0.00 -0.36 0.00 0.00 175.35 174.52 1ktj s ALA 56 N 1.75 2.08 -0.05 3.13 0.00 -1.26 -0.51 121.76 126.90 1ktj s ALA 56 Ca 0.05 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1ktj s ALA 56 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1ktj s ALA 56 CO -0.07 0.46 -0.15 -1.54 0.00 0.00 0.00 175.76 174.46 1ktj s SER 57 N -0.41 1.95 -0.27 0.00 1.04 -0.28 -1.02 113.70 114.71 1ktj s SER 57 Ca 0.04 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 1ktj s SER 57 Cb -0.11 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.33 1ktj s SER 57 CO 0.01 0.10 0.04 -0.63 0.98 0.00 0.00 173.24 173.74 1ktj s ILE 58 N 0.29 3.77 -1.48 -1.02 1.09 0.42 -1.83 121.20 122.44 1ktj s ILE 58 Ca -0.08 -0.64 -0.06 0.00 -1.10 0.00 0.00 60.65 58.77 1ktj s ILE 58 Cb -0.13 -2.89 0.05 0.00 -1.06 0.00 0.00 42.46 38.43 1ktj s ILE 58 CO 0.03 0.18 0.57 0.47 -0.10 0.00 0.00 174.94 176.08 1ktj n ASP 59 N 4.84 -1.45 0.00 3.58 8.00 -0.09 -0.92 116.55 130.51 1ktj n ASP 59 Ca -0.16 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1ktj n ASP 59 Cb 0.49 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 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 -1.80 0.87 3.66 0.44 0.00 -1.26 -5.03 105.19 102.07 1ktj n GLY 60 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 3.78 0.06 0.99 1.43 -0.10 -5.03 118.68 119.82 1ktj s LEU 61 Ca 0.00 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 1ktj s LEU 61 Cb 0.00 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1ktj s LEU 61 CO 0.00 0.24 1.25 -0.70 0.23 0.00 0.00 176.35 177.36 1ktj s GLU 62 N -0.00 4.39 0.04 1.70 2.12 -1.26 -0.43 118.70 125.26 1ktj s GLU 62 Ca 0.05 1.84 0.08 0.00 0.36 0.00 0.00 54.97 57.29 1ktj s GLU 62 Cb -0.12 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1ktj s GLU 62 CO 0.01 -0.33 -0.22 0.54 -0.54 0.00 0.00 175.26 174.73 1ktj s VAL 63 N 1.23 1.74 0.28 3.70 0.11 -0.19 -4.95 120.40 122.32 1ktj s VAL 63 Ca 0.60 -1.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.14 1ktj s VAL 63 Cb -0.31 -1.50 -0.10 0.00 -1.53 0.00 0.00 36.38 32.94 1ktj s VAL 63 CO 0.29 0.24 1.32 -0.62 -3.33 0.00 0.00 175.10 172.99 1ktj s ASP 64 N -1.16 6.82 -0.44 3.54 2.15 -1.26 -4.19 116.67 122.13 1ktj s ASP 64 Ca 0.08 2.57 -0.08 0.00 0.43 0.00 0.00 52.55 55.55 1ktj s ASP 64 Cb -0.09 -2.63 0.10 0.00 -0.30 0.00 0.00 42.92 40.00 1ktj s ASP 64 CO 0.02 -0.53 0.28 -0.69 -0.17 0.00 0.00 175.17 174.08 1ktj s VAL 65 N -0.59 4.03 0.74 1.11 1.01 -1.26 -5.04 120.40 120.41 1ktj s VAL 65 Ca 0.53 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1ktj s VAL 65 Cb -0.39 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1ktj s VAL 65 CO 0.46 -0.64 1.11 -2.16 0.00 0.00 0.00 175.10 173.88 1ktj s PRO 66 N 1.35 2.53 -0.41 2.72 0.04 -1.26 -4.47 135.00 135.50 1ktj s PRO 66 Ca 0.05 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1ktj s PRO 66 Cb -0.24 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ktj s PRO 66 CO -0.00 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1ktj n GLY 67 N -2.93 0.66 3.53 0.56 0.00 -1.26 -4.95 105.19 100.80 1ktj n GLY 67 Ca 0.07 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.15 4.40 -0.31 -0.61 -1.09 -1.26 -4.86 121.20 115.32 1ktj s ILE 68 Ca 0.00 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 57.97 1ktj s ILE 68 Cb 0.00 -3.00 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1ktj s ILE 68 CO 0.00 0.42 1.06 -0.62 -1.23 0.00 0.00 174.94 174.56 1ktj s ASP 69 N 0.88 6.94 0.55 3.58 -1.08 -1.26 -4.93 116.67 121.34 1ktj s ASP 69 Ca 0.03 1.07 0.32 0.00 -0.52 0.00 0.00 52.55 53.45 1ktj s ASP 69 Cb -0.14 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.33 1ktj s ASP 69 CO 0.02 -0.84 2.08 1.55 0.52 0.00 0.00 175.17 178.50 1ktj h PRO 70 N 8.01 0.00 -5.36 4.34 0.13 -1.97 -3.40 132.00 133.75 1ktj h PRO 70 Ca -0.20 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.28 1ktj h PRO 70 Cb 1.06 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.04 1ktj h PRO 70 CO 1.02 0.08 0.68 1.21 -0.23 0.00 0.00 178.00 180.76 1ktj s ASN 71 N -5.87 6.33 0.43 1.44 3.84 -1.26 -0.72 114.94 119.13 1ktj s ASN 71 Ca -0.02 -1.33 0.30 0.00 0.21 0.00 0.00 52.86 52.01 1ktj s ASN 71 Cb 0.12 -2.42 1.49 0.00 -0.55 0.00 0.00 41.25 39.89 1ktj s ASN 71 CO 0.55 -1.33 1.90 0.00 -2.79 0.00 0.00 177.10 175.42 1ktj h ALA 72 N 9.36 1.00 0.00 1.71 0.00 -1.37 -2.35 119.26 127.62 1ktj h ALA 72 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ktj h ALA 72 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ktj h ALA 72 CO 1.17 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.42 1ktj h HIS 74 N 0.00 0.40 -0.03 0.00 3.86 -1.79 -3.30 115.15 114.29 1ktj h HIS 74 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1ktj h HIS 74 Cb 0.23 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1ktj h HIS 74 CO 0.00 0.77 -0.02 0.66 0.86 0.00 0.00 177.93 180.20 1ktj n TYR 75 N -3.95 0.00 -4.37 2.45 4.01 -1.07 -4.99 117.16 109.23 1ktj n TYR 75 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1ktj n TYR 75 Cb 0.56 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.77 1.60 -1.08 -0.72 -1.94 -1.15 -4.83 119.30 109.42 1ktj s MET 76 Ca 0.24 -1.91 -0.13 0.00 -1.71 0.00 0.00 55.69 52.18 1ktj s MET 76 Cb 0.17 -0.31 0.21 0.00 2.01 0.00 0.00 34.83 36.91 1ktj s MET 76 CO 0.27 -0.38 1.19 -1.59 -0.01 0.00 0.00 175.02 174.50 1ktj s LYS 77 N -3.87 3.98 0.44 2.03 0.00 -1.26 -4.80 119.74 116.26 1ktj s LYS 77 Ca 0.35 -2.64 -0.12 0.00 0.00 0.00 0.00 55.97 53.56 1ktj s LYS 77 Cb 0.06 -4.79 -0.06 0.00 0.00 0.00 0.00 37.83 33.03 1ktj s LYS 77 CO 0.16 -1.53 0.83 0.00 0.00 0.00 0.00 175.35 174.80 1ktj s PRO 79 N -3.99 2.65 0.20 0.00 0.02 -1.26 -5.12 135.00 127.50 1ktj s PRO 79 Ca 0.53 1.24 -0.18 0.00 0.02 0.00 0.00 61.00 62.61 1ktj s PRO 79 Cb -0.10 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1ktj s PRO 79 CO 0.33 -1.35 0.68 -0.51 -0.33 0.00 0.00 177.00 175.82 1ktj s LEU 80 N -5.31 4.34 -0.20 -5.54 1.43 0.15 -4.92 118.68 108.63 1ktj s LEU 80 Ca 0.63 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1ktj s LEU 80 Cb -0.18 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1ktj s LEU 80 CO 0.48 0.05 -0.01 -0.69 0.23 0.00 0.00 176.35 176.41 1ktj s VAL 81 N -1.51 3.88 0.16 -1.59 1.01 -1.26 -1.96 120.40 119.12 1ktj s VAL 81 Ca 0.42 -0.34 -0.34 0.00 0.00 0.00 0.00 61.98 61.72 1ktj s VAL 81 Cb -0.16 -2.75 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 1ktj s VAL 81 CO 0.20 0.43 1.57 1.17 0.00 0.00 0.00 175.10 178.48 1ktj n LYS 82 N 4.22 2.12 0.00 2.72 4.81 -1.23 -1.49 118.16 129.30 1ktj n LYS 82 Ca -0.17 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1ktj n LYS 82 Cb 0.52 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.04 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 3.37 2.16 3.84 3.14 0.00 -0.07 -4.96 105.19 112.67 1ktj n GLY 83 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.50 4.03 -0.18 1.61 -0.21 -0.56 -4.82 119.66 119.04 1ktj s GLN 84 Ca 0.00 0.78 -0.09 0.00 0.02 0.00 0.00 55.36 56.07 1ktj s GLN 84 Cb 0.00 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 1ktj s GLN 84 CO 0.00 0.06 0.13 -0.65 -2.12 0.00 0.00 175.29 172.71 1ktj s GLN 85 N -3.18 3.98 0.11 2.91 -0.21 -1.26 -0.58 119.66 121.43 1ktj s GLN 85 Ca 0.56 -0.20 0.09 0.00 0.02 0.00 0.00 55.36 55.83 1ktj s GLN 85 Cb -0.10 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 1ktj s GLN 85 CO 0.18 0.43 -0.20 0.71 -2.12 0.00 0.00 175.29 174.29 1ktj s TYR 86 N -0.01 2.49 -0.10 0.91 2.02 0.51 -4.98 117.35 118.19 1ktj s TYR 86 Ca 0.10 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1ktj s TYR 86 Cb -0.11 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1ktj s TYR 86 CO -0.00 0.37 -0.22 0.34 -1.57 0.00 0.00 175.55 174.46 1ktj s ASP 87 N -2.08 3.25 -0.07 2.29 -1.08 -1.26 -1.73 116.67 116.00 1ktj s ASP 87 Ca 0.17 -0.52 0.03 0.00 -0.52 0.00 0.00 52.55 51.71 1ktj s ASP 87 Cb -0.10 -1.41 0.01 0.00 -1.46 0.00 0.00 42.92 39.95 1ktj s ASP 87 CO 0.09 0.17 -0.15 -0.51 0.52 0.00 0.00 175.17 175.28 1ktj s ILE 88 N 0.31 1.36 -0.08 4.11 2.07 0.14 -4.92 121.20 124.19 1ktj s ILE 88 Ca -0.17 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.48 1ktj s ILE 88 Cb -0.17 -1.21 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 1ktj s ILE 88 CO 0.08 0.40 -0.20 -0.54 -1.91 0.00 0.00 174.94 172.78 1ktj s LYS 89 N 0.46 2.85 -0.13 3.50 1.02 -1.26 -0.94 119.74 125.23 1ktj s LYS 89 Ca -0.13 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 1ktj s LYS 89 Cb -0.15 -2.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1ktj s LYS 89 CO 0.04 0.35 0.34 -0.47 -0.92 0.00 0.00 175.35 174.68 1ktj s TYR 90 N -0.04 -0.40 -0.25 3.18 5.04 -0.58 -5.02 117.35 119.28 1ktj s TYR 90 Ca -0.06 0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 55.45 1ktj s TYR 90 Cb -0.14 0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.28 1ktj s TYR 90 CO 0.05 -0.21 0.05 0.99 -1.34 0.00 0.00 175.55 175.09 1ktj s THR 91 N 0.47 4.09 -0.11 4.34 2.01 -1.26 -1.68 115.64 123.51 1ktj s THR 91 Ca -0.02 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1ktj s THR 91 Cb -0.04 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1ktj s THR 91 CO -0.02 0.33 0.33 0.86 -0.69 0.00 0.00 174.62 175.43 1ktj s TRP 92 N 1.58 3.55 -0.45 4.92 -0.00 0.40 -4.88 118.94 124.06 1ktj s TRP 92 Ca 0.06 0.73 -0.24 0.00 -0.00 0.00 0.00 56.10 56.65 1ktj s TRP 92 Cb -0.15 -2.32 0.02 0.00 -0.00 0.00 0.00 33.47 31.03 1ktj s TRP 92 CO 0.02 0.39 0.86 -0.80 -0.00 0.00 0.00 176.95 177.42 1ktj s ASN 93 N -0.07 6.48 -0.17 5.86 0.01 -1.26 -0.12 114.94 125.67 1ktj s ASN 93 Ca 0.20 0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 52.12 1ktj s ASN 93 Cb -0.14 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1ktj s ASN 93 CO 0.07 -0.97 1.50 -0.69 -1.51 0.00 0.00 177.10 175.50 1ktj s VAL 94 N 3.52 3.87 0.21 1.60 1.01 -0.74 -4.95 120.40 124.92 1ktj s VAL 94 Ca 0.34 1.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 1ktj s VAL 94 Cb -0.11 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 1ktj s VAL 94 CO 0.24 -0.20 0.98 -2.65 0.00 0.00 0.00 175.10 173.47 1ktj n PRO 95 N 7.19 0.94 0.30 2.72 -0.02 -1.26 -0.37 135.00 144.50 1ktj n PRO 95 Ca 0.17 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 1ktj n PRO 95 Cb 0.45 -1.69 0.94 0.00 -0.02 0.00 0.00 33.50 33.18 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 2.41 0.00 -0.30 -0.52 3.64 -1.90 -2.69 116.57 117.21 1ktj h LYS 96 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ktj h LYS 96 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1ktj h LYS 96 CO 0.64 0.01 0.00 1.51 -2.27 0.00 0.00 179.45 179.34 1ktj n ILE 97 N -3.76 0.54 -1.76 2.00 0.13 -1.26 -4.60 119.36 110.66 1ktj n ILE 97 Ca -0.03 -0.77 -0.42 0.00 -1.10 0.00 0.00 62.75 60.43 1ktj n ILE 97 Cb 0.09 0.89 -0.01 0.00 -0.84 0.00 0.00 39.64 39.77 1ktj n ILE 97 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ktj n ALA 98 N 1.02 2.42 -1.70 1.51 0.00 -1.03 -4.91 120.51 117.82 1ktj n ALA 98 Ca 0.14 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 1ktj n ALA 98 Cb 0.48 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 1ktj n ALA 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ktj n PRO 99 N 1.37 2.71 -2.05 0.00 -0.05 -1.26 -4.98 135.00 130.75 1ktj n PRO 99 Ca 0.05 0.98 -0.40 0.00 -0.05 0.00 0.00 63.50 64.09 1ktj n PRO 99 Cb 0.37 -2.84 -0.01 0.00 -0.05 0.00 0.00 33.50 30.98 1ktj n PRO 99 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 1ktj s LYS 100 N 1.68 4.02 -0.08 0.54 1.02 -1.26 -4.83 119.74 120.83 1ktj s LYS 100 Ca 0.78 2.18 -0.30 0.00 0.02 0.00 0.00 55.97 58.65 1ktj s LYS 100 Cb -0.52 -2.81 0.10 0.00 -0.52 0.00 0.00 37.83 34.08 1ktj s LYS 100 CO 0.35 -0.46 0.82 0.45 -0.92 0.00 0.00 175.35 175.59 1ktj s SER 101 N -0.68 -0.51 0.00 2.83 0.15 -0.84 -4.97 113.70 109.69 1ktj s SER 101 Ca 0.56 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.75 1ktj s SER 101 Cb -0.39 0.43 0.14 0.00 -1.71 0.00 0.00 66.02 64.50 1ktj s SER 101 CO 0.50 -0.52 1.03 -0.62 1.20 0.00 0.00 173.24 174.83 1ktj n GLU 102 N 0.67 2.20 -3.51 5.44 -0.58 -1.26 -0.89 120.64 122.71 1ktj n GLU 102 Ca -0.14 -1.58 -0.28 0.00 -0.42 0.00 0.00 57.16 54.73 1ktj n GLU 102 Cb 0.58 -1.14 -0.11 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.88 2.55 -0.08 1.62 3.04 -1.26 -4.92 114.94 115.00 1ktj s ASN 103 Ca 0.11 -2.80 0.05 0.00 0.04 0.00 0.00 52.86 50.26 1ktj s ASN 103 Cb 0.06 -0.63 -0.01 0.00 -1.54 0.00 0.00 41.25 39.14 1ktj s ASN 103 CO 0.08 -0.22 -0.23 -0.69 -3.04 0.00 0.00 177.10 173.00 1ktj s VAL 104 N 0.27 2.19 -0.13 -5.21 1.01 -1.25 -0.91 120.40 116.38 1ktj s VAL 104 Ca 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1ktj s VAL 104 Cb -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1ktj s VAL 104 CO -0.10 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1ktj s VAL 105 N 0.07 1.31 -0.15 2.92 1.01 -0.76 -4.40 120.40 120.40 1ktj s VAL 105 Ca -0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1ktj s VAL 105 Cb -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ktj s VAL 105 CO 0.06 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1ktj s VAL 106 N 1.53 2.82 -0.21 2.92 1.01 -0.42 -1.13 120.40 126.93 1ktj s VAL 106 Ca 0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1ktj s VAL 106 Cb -0.13 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1ktj s VAL 106 CO -0.09 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.51 1ktj s THR 107 N 0.74 2.62 -0.08 3.92 2.01 0.34 -0.51 115.64 124.67 1ktj s THR 107 Ca -0.06 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1ktj s THR 107 Cb -0.15 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1ktj s THR 107 CO 0.01 0.42 -0.20 0.68 -0.69 0.00 0.00 174.62 174.84 1ktj s VAL 108 N 1.35 2.49 -0.08 3.82 -7.23 -0.37 -1.30 120.40 119.09 1ktj s VAL 108 Ca 0.04 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1ktj s VAL 108 Cb -0.14 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1ktj s VAL 108 CO -0.08 0.56 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.56 1ktj s LYS 109 N -0.01 2.14 -0.18 4.82 1.02 -0.09 -1.75 119.74 125.69 1ktj s LYS 109 Ca -0.06 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1ktj s LYS 109 Cb -0.15 -1.70 -0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1ktj s LYS 109 CO 0.05 0.09 -0.12 0.08 -0.92 0.00 0.00 175.35 174.52 1ktj s VAL 110 N 0.53 2.83 -0.11 3.17 1.01 -0.20 -0.49 120.40 127.13 1ktj s VAL 110 Ca -0.15 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1ktj s VAL 110 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1ktj s VAL 110 CO 0.05 0.49 0.02 -0.04 0.00 0.00 0.00 175.10 175.62 1ktj s MET 111 N 1.09 3.21 0.00 2.72 1.00 -0.07 0.22 119.30 127.46 1ktj s MET 111 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 55.69 55.31 1ktj s MET 111 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 34.83 31.80 1ktj s MET 111 CO -0.03 0.61 0.00 0.41 0.00 0.00 0.00 175.02 176.01 1ktj n GLY 112 N 2.42 4.15 0.28 -0.03 0.00 0.16 -0.71 105.19 111.47 1ktj n GLY 112 Ca -0.18 -2.17 -0.05 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 0.82 -0.86 1.61 3.32 -1.87 -3.06 116.42 116.39 1ktj h ASP 113 Ca 0.00 -0.05 -0.42 0.00 0.02 0.00 0.00 57.03 56.58 1ktj h ASP 113 Cb 0.00 -0.21 -0.25 0.00 0.22 0.00 0.00 39.33 39.10 1ktj h ASP 113 CO 0.00 0.63 0.48 0.47 -1.72 0.00 0.00 179.24 179.10 1ktj n ASP 114 N -4.56 3.74 0.00 6.45 8.00 -1.26 -5.06 116.55 123.86 1ktj n ASP 114 Ca 0.06 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 51.99 1ktj n ASP 114 Cb 0.05 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 -0.98 -0.22 3.73 0.44 0.00 -1.16 -5.03 105.19 101.97 1ktj n GLY 115 Ca 0.53 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 2.52 -0.10 1.61 -7.23 -1.26 -0.66 120.40 115.27 1ktj s VAL 116 Ca 0.00 0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 60.54 1ktj s VAL 116 Cb 0.00 -3.26 -0.26 0.00 0.56 0.00 0.00 36.38 33.43 1ktj s VAL 116 CO 0.00 0.05 0.43 0.18 -0.31 0.00 0.00 175.10 175.45 1ktj n LEU 117 N 3.12 2.27 -3.55 1.32 4.77 0.13 -4.81 117.00 120.26 1ktj n LEU 117 Ca 0.11 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1ktj n LEU 117 Cb 0.39 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1ktj n LEU 117 CO 0.62 0.76 0.55 0.00 -1.33 0.00 0.00 177.39 177.98 1ktj s ALA 118 N -2.57 -1.82 -0.13 -1.18 0.00 -1.14 -4.71 121.76 110.21 1ktj s ALA 118 Ca -0.19 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 1ktj s ALA 118 Cb 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1ktj s ALA 118 CO 0.78 -0.35 0.31 0.00 0.00 0.00 0.00 175.76 176.50 1ktj s ALA 120 N 1.40 -0.13 -0.16 0.00 0.00 -0.72 -1.26 121.76 120.89 1ktj s ALA 120 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1ktj s ALA 120 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1ktj s ALA 120 CO -0.10 -0.10 -0.13 0.42 0.00 0.00 0.00 175.76 175.85 1ktj s ILE 121 N -0.61 2.87 -0.12 0.00 1.01 0.46 -1.23 121.20 123.58 1ktj s ILE 121 Ca -0.07 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1ktj s ILE 121 Cb -0.04 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1ktj s ILE 121 CO 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 174.94 175.26 1ktj s ALA 122 N 0.76 2.39 0.00 9.38 0.00 0.33 -0.06 121.76 134.55 1ktj s ALA 122 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ktj s ALA 122 Cb -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ktj s ALA 122 CO 0.01 0.26 0.57 0.25 0.00 0.00 0.00 175.76 176.85 1ktj n THR 123 N 3.54 0.18 -0.16 0.00 -2.24 -1.26 -1.30 114.28 113.04 1ktj n THR 123 Ca -0.19 -0.56 0.09 0.00 -2.27 0.00 0.00 64.05 61.12 1ktj n THR 123 Cb 0.53 0.95 0.23 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.09 0.67 -2.79 4.78 8.25 -1.26 -4.58 115.22 120.20 1ktj n HIS 124 Ca 0.00 -0.44 -0.37 0.00 -0.26 0.00 0.00 57.72 56.65 1ktj n HIS 124 Cb 0.06 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.06 3.22 -0.06 -1.41 0.00 -1.26 -0.79 121.76 120.40 1ktj s ALA 125 Ca 0.36 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ktj s ALA 125 Cb 0.19 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1ktj s ALA 125 CO 0.26 0.18 -0.13 0.15 0.00 0.00 0.00 175.76 176.21 1ktj s LYS 126 N -2.03 1.66 -0.35 0.00 -0.14 -0.58 -3.84 119.74 114.46 1ktj s LYS 126 Ca 0.50 -0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 54.52 1ktj s LYS 126 Cb -0.19 -1.40 -0.01 0.00 -1.68 0.00 0.00 37.83 34.55 1ktj s LYS 126 CO 0.24 0.09 0.24 0.42 -0.76 0.00 0.00 175.35 175.58 1ktj s ILE 127 N 0.46 5.26 0.35 2.17 1.01 -0.07 -0.40 121.20 129.98 1ktj s ILE 127 Ca -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1ktj s ILE 127 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ktj s ILE 127 CO 0.03 -0.03 0.13 -0.13 0.00 0.00 0.00 174.94 174.94 1ktj s ARG 128 N 1.72 1.76 0.00 2.79 0.52 -0.60 -1.98 118.95 123.16 1ktj s ARG 128 Ca 0.06 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.24 1ktj s ARG 128 Cb -0.18 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 34.86 1ktj s ARG 128 CO 0.10 -0.43 0.00 -0.25 0.02 0.00 0.00 175.30 174.75