#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tul n THR 8 N 0.00 3.01 -2.36 2.61 -2.24 -1.26 -4.96 114.28 109.08 1tul n THR 8 Ca 0.00 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 1tul n THR 8 Cb 0.00 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 66.67 1tul n THR 8 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1tul s PRO 9 N -2.45 3.51 0.58 -0.78 0.05 -1.26 -4.98 135.00 129.68 1tul s PRO 9 Ca 0.65 1.52 -0.19 0.00 0.05 0.00 0.00 61.00 63.04 1tul s PRO 9 Cb -0.47 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.00 1tul s PRO 9 CO 0.55 -0.70 1.16 -0.51 0.05 0.00 0.00 177.00 177.55 1tul s ASP 10 N -1.85 5.40 -0.11 6.66 1.01 -1.26 -4.89 116.67 121.63 1tul s ASP 10 Ca 0.71 2.26 -0.18 0.00 0.71 0.00 0.00 52.55 56.04 1tul s ASP 10 Cb -0.21 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1tul s ASP 10 CO 0.24 -1.44 0.49 -0.63 0.21 0.00 0.00 175.17 174.05 1tul s ILE 11 N -1.75 5.17 -0.19 0.77 1.01 -0.92 -4.88 121.20 120.40 1tul s ILE 11 Ca 0.74 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 62.31 1tul s ILE 11 Cb -0.26 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1tul s ILE 11 CO 0.31 0.33 0.04 -0.63 0.00 0.00 0.00 174.94 174.99 1tul s ILE 12 N 0.57 4.50 0.20 2.92 1.01 -1.26 0.15 121.20 129.28 1tul s ILE 12 Ca 0.27 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.84 1tul s ILE 12 Cb -0.15 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1tul s ILE 12 CO 0.11 0.44 -0.08 0.68 0.00 0.00 0.00 174.94 176.09 1tul s VAL 13 N 0.60 1.30 -0.04 2.92 -7.23 -0.30 -0.84 120.40 116.82 1tul s VAL 13 Ca 0.02 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1tul s VAL 13 Cb -0.13 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1tul s VAL 13 CO 0.02 -0.55 -0.09 0.20 -0.31 0.00 0.00 175.10 174.37 1tul s ASN 14 N -3.27 1.32 0.08 4.85 0.01 -0.66 -2.13 114.94 115.14 1tul s ASN 14 Ca 0.22 -0.21 -0.25 0.00 -0.71 0.00 0.00 52.86 51.92 1tul s ASN 14 Cb 0.03 -0.49 -0.06 0.00 0.41 0.00 0.00 41.25 41.13 1tul s ASN 14 CO 0.05 0.03 0.76 0.00 -1.51 0.00 0.00 177.10 176.44 1tul s ALA 15 N 0.48 3.40 0.03 0.60 0.00 -1.26 -0.87 121.76 124.14 1tul s ALA 15 Ca -0.08 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1tul s ALA 15 Cb -0.12 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1tul s ALA 15 CO 0.01 0.13 -0.05 -0.65 0.00 0.00 0.00 175.76 175.21 1tul s GLN 16 N -0.37 0.42 0.08 0.00 -0.21 0.80 -4.98 119.66 115.41 1tul s GLN 16 Ca 0.37 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.75 1tul s GLN 16 Cb -0.21 -0.06 -0.06 0.00 1.00 0.00 0.00 33.01 33.68 1tul s GLN 16 CO 0.24 -0.01 1.15 0.42 -2.12 0.00 0.00 175.29 174.96 1tul s ILE 17 N -1.55 4.11 0.43 1.08 1.01 -1.26 0.01 121.20 125.03 1tul s ILE 17 Ca -0.12 1.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.84 1tul s ILE 17 Cb -0.09 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1tul s ILE 17 CO -0.01 0.16 1.41 0.21 0.00 0.00 0.00 174.94 176.71 1tul s ASN 18 N 0.79 6.03 0.24 3.58 3.84 0.38 -4.80 114.94 125.00 1tul s ASN 18 Ca 0.56 2.89 -0.04 0.00 0.21 0.00 0.00 52.86 56.48 1tul s ASN 18 Cb -0.28 -2.65 0.27 0.00 -0.55 0.00 0.00 41.25 38.03 1tul s ASN 18 CO 0.30 -1.07 1.74 0.28 -2.79 0.00 0.00 177.10 175.57 1tul h SER 19 N 2.50 0.86 0.15 -4.21 0.02 -1.93 -3.33 113.55 107.62 1tul h SER 19 Ca -0.51 -0.20 -0.32 0.00 -0.84 0.00 0.00 61.79 59.92 1tul h SER 19 Cb 1.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1tul h SER 19 CO 0.62 0.90 -1.65 -0.33 -1.14 0.00 0.00 176.83 175.23 1tul h GLU 20 N 0.85 0.32 -4.40 3.45 3.07 -1.97 -3.45 114.58 112.44 1tul h GLU 20 Ca 0.17 -0.54 -0.58 0.00 -0.50 0.00 0.00 59.36 57.91 1tul h GLU 20 Cb 0.43 0.20 -0.37 0.00 -0.84 0.00 0.00 28.75 28.17 1tul h GLU 20 CO 0.01 1.26 -0.81 0.34 -1.40 0.00 0.00 179.01 178.42 1tul s ASP 21 N -7.16 2.94 0.10 1.42 -1.08 -1.25 -4.99 116.67 106.65 1tul s ASP 21 Ca -0.18 -0.67 0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1tul s ASP 21 Cb 0.05 -1.07 0.59 0.00 -1.46 0.00 0.00 42.92 41.04 1tul s ASP 21 CO 0.81 -0.14 1.40 -1.84 0.52 0.00 0.00 175.17 175.92 1tul n GLU 22 N 4.80 0.06 -0.75 4.34 0.28 -1.26 -2.01 120.64 126.10 1tul n GLU 22 Ca -0.14 0.42 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 1tul n GLU 22 Cb 0.48 -1.64 0.37 0.00 1.43 0.00 0.00 31.44 32.08 1tul n GLU 22 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1tul n ASN 23 N -1.76 5.19 -4.07 -1.84 3.02 -1.26 -4.87 115.26 109.67 1tul n ASN 23 Ca 0.01 -2.82 -0.27 0.00 -0.03 0.00 0.00 54.58 51.48 1tul n ASN 23 Cb 0.11 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.48 1tul n ASN 23 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tul s VAL 24 N -2.53 1.38 -0.17 2.41 1.01 -0.85 -0.87 120.40 120.78 1tul s VAL 24 Ca 0.51 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1tul s VAL 24 Cb 0.38 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1tul s VAL 24 CO 0.17 0.41 -0.01 -0.76 0.00 0.00 0.00 175.10 174.91 1tul s LEU 25 N 0.63 3.35 0.03 3.92 1.43 -0.36 -0.47 118.68 127.22 1tul s LEU 25 Ca -0.15 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1tul s LEU 25 Cb -0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 1tul s LEU 25 CO 0.04 0.14 0.42 -1.81 0.23 0.00 0.00 176.35 175.38 1tul s ASP 26 N 0.53 6.79 -0.33 2.29 1.01 0.10 -1.36 116.67 125.70 1tul s ASP 26 Ca -0.01 0.95 0.02 0.00 0.71 0.00 0.00 52.55 54.22 1tul s ASP 26 Cb -0.14 -2.24 0.09 0.00 1.01 0.00 0.00 42.92 41.63 1tul s ASP 26 CO 0.02 0.28 0.04 -0.36 0.21 0.00 0.00 175.17 175.35 1tul s PHE 27 N -1.17 3.58 -0.05 4.23 0.40 0.07 -0.14 117.98 124.89 1tul s PHE 27 Ca 0.27 -2.64 -0.15 0.00 -0.60 0.00 0.00 56.93 53.81 1tul s PHE 27 Cb -0.16 -2.68 -0.05 0.00 0.51 0.00 0.00 43.02 40.64 1tul s PHE 27 CO 0.15 -0.92 0.38 0.42 0.70 0.00 0.00 175.22 175.95 1tul s ILE 28 N 1.02 5.13 0.02 0.64 1.09 -0.05 -0.50 121.20 128.54 1tul s ILE 28 Ca 0.05 0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 60.06 1tul s ILE 28 Cb -0.20 -3.69 -0.07 0.00 -1.06 0.00 0.00 42.46 37.44 1tul s ILE 28 CO -0.06 0.52 1.53 -0.63 -0.10 0.00 0.00 174.94 176.20 1tul s ILE 29 N -0.61 3.44 0.03 2.92 1.01 0.14 -1.65 121.20 126.47 1tul s ILE 29 Ca 0.22 0.81 -0.18 0.00 0.00 0.00 0.00 60.65 61.51 1tul s ILE 29 Cb -0.16 -3.52 -0.26 0.00 0.01 0.00 0.00 42.46 38.53 1tul s ILE 29 CO 0.11 -0.01 1.09 -0.08 0.00 0.00 0.00 174.94 176.05 1tul h GLU 30 N 8.26 0.52 -4.62 2.79 4.81 -1.32 0.38 114.58 125.41 1tul h GLU 30 Ca -0.40 -0.63 -0.26 0.00 -0.13 0.00 0.00 59.36 57.95 1tul h GLU 30 Cb 1.19 0.19 -0.19 0.00 0.63 0.00 0.00 28.75 30.57 1tul h GLU 30 CO 0.92 1.25 -0.72 -0.51 -0.73 0.00 0.00 179.01 179.22 1tul s ASP 31 N -7.08 0.97 0.30 1.04 1.01 -1.26 -4.55 116.67 107.11 1tul s ASP 31 Ca -0.12 -0.70 -0.29 0.00 0.71 0.00 0.00 52.55 52.15 1tul s ASP 31 Cb 0.04 0.05 -0.12 0.00 1.01 0.00 0.00 42.92 43.90 1tul s ASP 31 CO 0.88 -0.29 1.42 1.21 0.21 0.00 0.00 175.17 178.59 1tul n GLU 32 N 0.96 2.29 -3.54 8.23 2.13 -1.26 -4.49 120.64 124.95 1tul n GLU 32 Ca -0.19 0.81 -0.22 0.00 0.66 0.00 0.00 57.16 58.22 1tul n GLU 32 Cb 0.57 -2.47 -0.15 0.00 0.27 0.00 0.00 31.44 29.66 1tul n GLU 32 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1tul s TYR 33 N -0.54 -0.06 -0.13 4.31 6.14 0.18 -4.94 117.35 122.30 1tul s TYR 33 Ca 0.61 -0.06 0.03 0.00 0.64 0.00 0.00 57.07 58.29 1tul s TYR 33 Cb -0.57 -0.52 0.01 0.00 0.42 0.00 0.00 41.96 41.30 1tul s TYR 33 CO 0.56 -0.58 -0.21 0.71 0.64 0.00 0.00 175.55 176.67 1tul s TYR 34 N 2.24 2.50 -0.23 4.97 1.51 -1.26 -0.60 117.35 126.49 1tul s TYR 34 Ca 0.05 -1.22 -0.03 0.00 -1.01 0.00 0.00 57.07 54.86 1tul s TYR 34 Cb -0.16 -1.71 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 1tul s TYR 34 CO -0.12 -0.56 0.26 -1.17 -1.11 0.00 0.00 175.55 172.85 1tul s LEU 35 N 0.79 -0.22 -0.74 -1.29 2.96 0.82 -4.97 118.68 116.04 1tul s LEU 35 Ca -0.08 -0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 53.32 1tul s LEU 35 Cb -0.16 0.53 0.05 0.00 0.50 0.00 0.00 46.19 47.11 1tul s LEU 35 CO -0.01 -0.34 1.18 -0.75 -1.32 0.00 0.00 176.35 175.12 1tul s LYS 36 N 2.37 3.20 0.42 1.98 2.20 -1.26 0.11 119.74 128.77 1tul s LYS 36 Ca 0.08 -0.54 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1tul s LYS 36 Cb -0.15 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.83 1tul s LYS 36 CO -0.17 -2.03 0.27 0.21 -0.36 0.00 0.00 175.35 173.27 1tul s LYS 37 N 5.04 2.35 -0.18 4.03 2.20 -1.26 -4.97 119.74 126.96 1tul s LYS 37 Ca 0.31 -1.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.19 1tul s LYS 37 Cb -0.10 -2.15 0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1tul s LYS 37 CO 0.11 -0.18 -0.07 -0.98 -0.36 0.00 0.00 175.35 173.87 1tul s ARG 38 N -4.02 1.62 0.00 4.03 1.04 -1.26 -4.57 118.95 115.79 1tul s ARG 38 Ca 0.43 -0.63 0.00 0.00 -1.04 0.00 0.00 55.73 54.49 1tul s ARG 38 Cb 0.01 -2.15 0.00 0.00 -2.04 0.00 0.00 34.95 30.76 1tul s ARG 38 CO 0.25 -0.44 0.00 0.41 -0.04 0.00 0.00 175.30 175.48 1tul n GLY 39 N 4.81 0.19 3.64 3.88 0.00 -1.26 -4.86 105.19 111.58 1tul n GLY 39 Ca -0.13 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1tul n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tul s VAL 40 N -1.32 4.27 0.27 1.61 1.01 -1.26 -4.79 120.40 120.20 1tul s VAL 40 Ca 0.00 1.46 0.10 0.00 0.00 0.00 0.00 61.98 63.54 1tul s VAL 40 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1tul s VAL 40 CO 0.00 -0.45 -0.07 -0.83 0.00 0.00 0.00 175.10 173.75 1tul s GLY 41 N 2.34 1.72 -0.15 4.51 0.00 -1.17 -4.96 107.32 109.62 1tul s GLY 41 Ca 0.52 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 1tul s GLY 41 CO 0.20 -1.78 -0.07 0.00 0.00 0.00 0.00 173.10 171.44 1tul s ALA 42 N -2.35 2.84 -0.07 3.20 0.00 -1.26 -1.85 121.76 122.27 1tul s ALA 42 Ca 0.31 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1tul s ALA 42 Cb -0.06 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1tul s ALA 42 CO 0.18 0.19 -0.10 -1.01 0.00 0.00 0.00 175.76 175.03 1tul s HIS 43 N 0.42 1.33 0.11 0.00 0.09 0.18 -4.94 115.29 112.47 1tul s HIS 43 Ca -0.06 -0.51 -0.30 0.00 -0.00 0.00 0.00 55.06 54.18 1tul s HIS 43 Cb -0.15 -1.03 -0.07 0.00 -0.00 0.00 0.00 32.58 31.34 1tul s HIS 43 CO 0.04 -0.31 1.18 0.42 -0.00 0.00 0.00 174.74 176.07 1tul s ILE 44 N 0.91 3.89 -0.17 0.60 1.01 -1.26 0.47 121.20 126.65 1tul s ILE 44 Ca -0.10 1.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.94 1tul s ILE 44 Cb -0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1tul s ILE 44 CO 0.01 0.16 0.01 -0.63 0.00 0.00 0.00 174.94 174.49 1tul s ILE 45 N 0.58 4.25 -0.47 2.92 1.01 -0.22 -2.17 121.20 127.10 1tul s ILE 45 Ca 0.56 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 1tul s ILE 45 Cb -0.30 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.33 1tul s ILE 45 CO 0.32 0.47 0.50 -0.75 0.00 0.00 0.00 174.94 175.49 1tul s LYS 46 N 0.42 3.08 -0.31 2.79 2.20 0.39 -4.09 119.74 124.21 1tul s LYS 46 Ca -0.01 -0.97 -0.16 0.00 -0.36 0.00 0.00 55.97 54.47 1tul s LYS 46 Cb -0.13 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 1tul s LYS 46 CO 0.02 -1.05 0.42 0.08 -0.36 0.00 0.00 175.35 174.45 1tul s VAL 47 N 2.21 5.12 0.31 4.02 1.01 -1.26 -1.15 120.40 130.66 1tul s VAL 47 Ca 0.11 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1tul s VAL 47 Cb -0.20 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1tul s VAL 47 CO 0.11 -0.03 1.45 0.00 0.00 0.00 0.00 175.10 176.63 1tul s ALA 48 N 2.16 3.60 0.24 5.51 0.00 -0.91 -4.67 121.76 127.70 1tul s ALA 48 Ca 0.15 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 1tul s ALA 48 Cb -0.16 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1tul s ALA 48 CO 0.11 -0.85 1.43 -1.12 0.00 0.00 0.00 175.76 175.33 1tul s SER 49 N 0.03 6.67 -0.05 0.00 0.01 -1.26 -4.71 113.70 114.40 1tul s SER 49 Ca 0.56 2.64 -0.19 0.00 1.31 0.00 0.00 55.95 60.27 1tul s SER 49 Cb -0.44 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.21 1tul s SER 49 CO 0.52 -0.69 0.43 -0.94 0.41 0.00 0.00 173.24 172.98 1tul s SER 50 N 0.36 -0.36 0.34 2.44 1.04 -1.13 -5.04 113.70 111.35 1tul s SER 50 Ca 0.59 0.37 0.06 0.00 0.48 0.00 0.00 55.95 57.45 1tul s SER 50 Cb -0.41 0.46 0.73 0.00 0.10 0.00 0.00 66.02 66.90 1tul s SER 50 CO 0.43 -0.45 1.89 1.55 0.98 0.00 0.00 173.24 177.64 1tul h PRO 51 N 3.84 0.76 -0.49 4.02 0.13 -1.93 -1.95 132.00 136.39 1tul h PRO 51 Ca -0.29 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 64.94 1tul h PRO 51 Cb 1.17 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1tul h PRO 51 CO 0.37 0.51 0.50 1.96 -0.23 0.00 0.00 178.00 181.11 1tul h GLN 52 N 0.79 0.00 0.00 0.86 7.50 -1.94 -1.38 115.11 120.94 1tul h GLN 52 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1tul h GLN 52 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1tul h GLN 52 CO -0.18 0.00 0.00 -0.07 -1.50 0.00 0.00 178.83 177.08 1tul h LEU 53 N 0.00 0.00 -2.04 1.46 3.38 -1.58 -3.01 115.31 113.52 1tul h LEU 53 Ca 0.23 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.31 1tul h LEU 53 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1tul h LEU 53 CO -0.00 0.00 0.29 -0.09 0.09 0.00 0.00 178.44 178.73 1tul h ARG 54 N 0.00 0.00 -0.21 1.13 2.43 -0.28 -0.82 114.38 116.63 1tul h ARG 54 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1tul h ARG 54 Cb 0.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1tul h ARG 54 CO 0.00 0.00 0.16 -0.07 -1.51 0.00 0.00 179.97 178.55 1tul h LEU 55 N 0.00 0.00 -0.47 3.80 4.07 -1.76 -1.65 115.31 119.29 1tul h LEU 55 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1tul h LEU 55 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1tul h LEU 55 CO -0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 178.44 177.29 1tul h LEU 56 N 0.00 0.00 -1.81 1.67 3.38 -1.39 -2.92 115.31 114.24 1tul h LEU 56 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1tul h LEU 56 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1tul h LEU 56 CO -0.00 0.00 -0.04 -1.22 0.09 0.00 0.00 178.44 177.27 1tul n TYR 57 N -2.34 0.00 -0.01 1.13 4.02 -0.62 -4.32 117.16 115.01 1tul n TYR 57 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 1tul n TYR 57 Cb 0.32 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.50 1tul n TYR 57 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1tul n LYS 58 N 1.19 0.55 -3.82 -0.72 4.76 -1.10 -5.06 118.16 113.96 1tul n LYS 58 Ca 0.14 -0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.32 1tul n LYS 58 Cb 0.58 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 32.30 1tul n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1tul s ASN 59 N -4.07 -0.18 0.96 4.39 -0.87 -1.24 -5.09 114.94 108.84 1tul s ASN 59 Ca -0.07 -0.62 -0.11 0.00 -1.57 0.00 0.00 52.86 50.49 1tul s ASN 59 Cb 0.11 0.56 0.17 0.00 -0.02 0.00 0.00 41.25 42.07 1tul s ASN 59 CO 0.74 -1.05 1.10 0.00 -2.57 0.00 0.00 177.10 175.32 1tul s ALA 60 N -3.91 1.06 0.18 0.60 0.00 -1.26 -4.80 121.76 113.63 1tul s ALA 60 Ca 0.12 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 1tul s ALA 60 Cb -0.00 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1tul s ALA 60 CO -0.00 -2.87 0.55 1.52 0.00 0.00 0.00 175.76 174.96 1tul s TYR 61 N -2.68 -0.28 -0.04 0.00 1.13 -1.26 -0.99 117.35 113.22 1tul s TYR 61 Ca 0.66 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 56.34 1tul s TYR 61 Cb -0.22 0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 41.10 1tul s TYR 61 CO 0.59 -0.89 -0.16 -1.12 -2.51 0.00 0.00 175.55 171.47 1tul s SER 62 N -2.82 1.99 -0.02 -0.18 0.01 0.10 -4.94 113.70 107.84 1tul s SER 62 Ca 0.06 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.74 1tul s SER 62 Cb -0.01 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 1tul s SER 62 CO -0.07 0.13 0.79 -0.89 0.41 0.00 0.00 173.24 173.61 1tul s THR 63 N 0.08 4.91 -0.17 1.44 2.01 -1.26 -0.60 115.64 122.06 1tul s THR 63 Ca -0.04 1.65 -0.02 0.00 0.31 0.00 0.00 61.69 63.58 1tul s THR 63 Cb -0.11 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1tul s THR 63 CO 0.02 0.26 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.44 1tul s VAL 64 N 0.61 3.35 0.03 3.82 1.01 0.17 -4.98 120.40 124.41 1tul s VAL 64 Ca 0.41 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1tul s VAL 64 Cb -0.19 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1tul s VAL 64 CO 0.22 0.48 0.52 -0.55 0.00 0.00 0.00 175.10 175.78 1tul s SER 65 N 0.73 6.96 -0.13 3.32 0.15 -1.26 -1.80 113.70 121.68 1tul s SER 65 Ca -0.04 1.14 0.16 0.00 0.70 0.00 0.00 55.95 57.91 1tul s SER 65 Cb -0.15 -2.33 0.68 0.00 -1.71 0.00 0.00 66.02 62.51 1tul s SER 65 CO 0.02 0.24 1.57 0.00 1.20 0.00 0.00 173.24 176.27 1tul n GLY 67 N 0.97 1.89 2.58 0.00 0.00 -1.26 -5.01 105.19 104.36 1tul n GLY 67 Ca 0.24 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1tul n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1tul n ASN 68 N 0.00 7.26 -3.75 1.61 4.05 -1.26 -4.85 115.26 118.32 1tul n ASN 68 Ca 0.00 -3.12 -0.05 0.00 0.45 0.00 0.00 54.58 51.86 1tul n ASN 68 Cb 0.00 -1.40 -0.02 0.00 1.23 0.00 0.00 39.78 39.60 1tul n ASN 68 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1tul s TYR 69 N -0.67 -0.16 0.15 1.20 -0.85 -1.26 -2.59 117.35 113.16 1tul s TYR 69 Ca 0.50 -0.16 0.11 0.00 -0.52 0.00 0.00 57.07 57.00 1tul s TYR 69 Cb 0.16 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 43.11 1tul s TYR 69 CO -0.07 -0.90 -0.25 0.20 -1.52 0.00 0.00 175.55 173.01 1tul s GLY 70 N -2.91 1.59 -0.05 5.49 0.00 0.03 -4.86 107.32 106.61 1tul s GLY 70 Ca 0.11 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1tul s GLY 70 CO 0.02 -1.51 -0.14 0.14 0.00 0.00 0.00 173.10 171.61 1tul s VAL 71 N -1.31 1.23 -0.28 1.40 1.01 -1.26 -0.52 120.40 120.66 1tul s VAL 71 Ca 0.16 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1tul s VAL 71 Cb -0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1tul s VAL 71 CO 0.07 0.37 0.11 -0.22 0.00 0.00 0.00 175.10 175.43 1tul s LEU 72 N 0.34 3.81 0.00 3.92 2.96 -0.18 -4.98 118.68 124.55 1tul s LEU 72 Ca -0.09 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1tul s LEU 72 Cb -0.13 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1tul s LEU 72 CO 0.03 -0.13 -0.07 0.00 -1.32 0.00 0.00 176.35 174.86 1tul s ASN 74 N -1.41 0.54 0.88 0.00 0.02 -0.45 -5.00 114.94 109.53 1tul s ASN 74 Ca 0.17 -0.25 -0.12 0.00 -1.02 0.00 0.00 52.86 51.64 1tul s ASN 74 Cb -0.11 -0.01 0.12 0.00 0.02 0.00 0.00 41.25 41.27 1tul s ASN 74 CO 0.07 -0.06 1.12 -0.76 0.02 0.00 0.00 177.10 177.50 1tul s LEU 75 N -0.64 2.16 -0.00 0.60 1.43 -1.26 -1.99 118.68 118.97 1tul s LEU 75 Ca -0.03 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1tul s LEU 75 Cb -0.05 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1tul s LEU 75 CO -0.00 -2.42 -0.13 0.68 0.23 0.00 0.00 176.35 174.70 1tul s VAL 76 N -3.22 3.13 0.13 -1.59 -7.23 -1.26 -4.75 120.40 105.62 1tul s VAL 76 Ca 0.63 -0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 1tul s VAL 76 Cb -0.15 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1tul s VAL 76 CO 0.54 0.45 1.69 -0.61 -0.31 0.00 0.00 175.10 176.86 1tul h GLN 77 N 4.84 -0.08 -6.36 4.82 4.15 -1.98 -3.40 115.11 117.11 1tul h GLN 77 Ca -0.47 0.01 -0.58 0.00 0.77 0.00 0.00 58.65 58.37 1tul h GLN 77 Cb 1.16 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.77 1tul h GLN 77 CO 0.50 -0.05 0.73 1.21 -1.93 0.00 0.00 178.83 179.30 1tul s ASN 78 N -5.14 6.52 0.13 -0.69 3.04 -1.26 -4.91 114.94 112.63 1tul s ASN 78 Ca -0.14 0.19 0.00 0.00 0.04 0.00 0.00 52.86 52.95 1tul s ASN 78 Cb 0.10 -2.49 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 1tul s ASN 78 CO 0.68 -1.17 0.00 0.61 -3.04 0.00 0.00 177.10 174.18 1tul n GLY 79 N 4.94 -2.94 1.74 1.21 0.00 -1.26 -4.78 105.19 104.10 1tul n GLY 79 Ca 0.08 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1tul n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tul n GLU 80 N -2.08 4.29 -0.25 1.61 1.02 -1.26 -4.40 120.64 119.57 1tul n GLU 80 Ca -0.01 -3.00 0.08 0.00 -0.02 0.00 0.00 57.16 54.21 1tul n GLU 80 Cb 0.12 -2.08 0.13 0.00 -0.02 0.00 0.00 31.44 29.59 1tul n GLU 80 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1tul n TYR 81 N 0.90 0.00 -4.30 -0.32 4.01 -1.26 -1.64 117.16 114.55 1tul n TYR 81 Ca 0.27 -0.92 -0.16 0.00 -0.16 0.00 0.00 57.90 56.93 1tul n TYR 81 Cb 1.04 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.82 1tul n TYR 81 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1tul s ASP 82 N -2.65 1.31 -0.17 7.72 1.01 -1.26 -2.84 116.67 119.79 1tul s ASP 82 Ca 0.29 -1.29 -0.21 0.00 0.71 0.00 0.00 52.55 52.04 1tul s ASP 82 Cb 0.26 0.12 0.05 0.00 1.01 0.00 0.00 42.92 44.36 1tul s ASP 82 CO 0.01 -0.64 0.57 -0.22 0.21 0.00 0.00 175.17 175.09 1tul s LEU 83 N -3.27 -0.17 -0.08 1.23 2.96 -1.26 -4.44 118.68 113.66 1tul s LEU 83 Ca 0.32 0.99 -0.05 0.00 -0.22 0.00 0.00 54.13 55.17 1tul s LEU 83 Cb 0.07 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.71 1tul s LEU 83 CO 0.10 -0.29 0.12 0.20 -1.32 0.00 0.00 176.35 175.16 1tul s ASN 84 N -0.09 6.15 -0.20 3.68 0.01 -0.84 -4.47 114.94 119.19 1tul s ASN 84 Ca -0.03 0.36 -0.20 0.00 -0.71 0.00 0.00 52.86 52.28 1tul s ASN 84 Cb -0.03 -1.92 0.05 0.00 0.41 0.00 0.00 41.25 39.76 1tul s ASN 84 CO 0.03 0.36 0.56 0.00 -1.51 0.00 0.00 177.10 176.53 1tul s ALA 85 N -1.10 -1.40 -0.04 0.60 0.00 -1.26 -1.34 121.76 117.23 1tul s ALA 85 Ca 0.19 1.54 0.03 0.00 0.00 0.00 0.00 51.96 53.72 1tul s ALA 85 Cb -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1tul s ALA 85 CO 0.08 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 175.86 1tul s ILE 86 N 0.17 1.10 -0.14 0.00 1.01 -0.57 -1.05 121.20 121.72 1tul s ILE 86 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1tul s ILE 86 Cb -0.04 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1tul s ILE 86 CO 0.01 0.33 0.04 -0.32 0.00 0.00 0.00 174.94 175.01 1tul s MET 87 N 0.17 3.56 -0.39 2.79 -2.45 0.18 -1.01 119.30 122.14 1tul s MET 87 Ca -0.04 -0.35 -0.03 0.00 -1.25 0.00 0.00 55.69 54.02 1tul s MET 87 Cb -0.11 -3.04 0.10 0.00 1.25 0.00 0.00 34.83 33.03 1tul s MET 87 CO 0.01 0.48 0.16 -0.06 1.05 0.00 0.00 175.02 176.67 1tul s PHE 88 N -0.23 3.54 0.24 4.11 0.40 0.32 0.47 117.98 126.83 1tul s PHE 88 Ca 0.07 -2.33 -0.29 0.00 -0.60 0.00 0.00 56.93 53.78 1tul s PHE 88 Cb -0.12 -3.01 -0.09 0.00 0.51 0.00 0.00 43.02 40.31 1tul s PHE 88 CO 0.02 -0.94 0.93 0.54 0.70 0.00 0.00 175.22 176.47 1tul s ASN 89 N 1.68 7.60 -0.23 1.36 4.22 -0.77 -0.79 114.94 128.01 1tul s ASN 89 Ca 0.06 1.92 -0.04 0.00 -2.14 0.00 0.00 52.86 52.65 1tul s ASN 89 Cb -0.22 -2.60 -0.18 0.00 1.28 0.00 0.00 41.25 39.53 1tul s ASN 89 CO -0.04 0.14 -0.08 0.00 -2.04 0.00 0.00 177.10 175.08 1tul n ALA 91 N -3.38 0.00 -1.80 0.00 0.00 -1.25 -4.70 120.51 109.38 1tul n ALA 91 Ca -0.43 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1tul n ALA 91 Cb 0.96 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.36 1tul n ALA 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tul s GLU 92 N 1.71 4.27 -0.44 0.00 -1.05 -1.26 -4.73 118.70 117.20 1tul s GLU 92 Ca 0.00 1.27 -0.23 0.00 -0.15 0.00 0.00 54.97 55.86 1tul s GLU 92 Cb 0.00 -2.40 0.02 0.00 -0.44 0.00 0.00 34.13 31.31 1tul s GLU 92 CO 0.00 -0.01 0.77 0.42 0.95 0.00 0.00 175.26 177.39 1tul s ILE 93 N -1.92 4.67 -0.56 1.83 1.01 0.31 -4.94 121.20 121.60 1tul s ILE 93 Ca 0.59 0.45 0.05 0.00 0.00 0.00 0.00 60.65 61.73 1tul s ILE 93 Cb -0.15 -4.30 0.18 0.00 0.01 0.00 0.00 42.46 38.20 1tul s ILE 93 CO 0.19 -0.68 0.45 1.17 0.00 0.00 0.00 174.94 176.07 1tul n LYS 94 N 6.66 1.13 -3.69 2.79 4.81 -1.26 0.29 118.16 128.89 1tul n LYS 94 Ca 0.02 -3.89 -0.37 0.00 -0.87 0.00 0.00 58.31 53.20 1tul n LYS 94 Cb 0.48 -1.97 -0.11 0.00 0.02 0.00 0.00 35.03 33.45 1tul n LYS 94 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tul s LEU 95 N -0.88 3.79 0.29 3.14 1.43 0.23 -5.01 118.68 121.68 1tul s LEU 95 Ca 0.30 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1tul s LEU 95 Cb 0.02 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1tul s LEU 95 CO -0.17 -0.02 0.63 0.20 0.23 0.00 0.00 176.35 177.22 1tul s ASN 96 N 1.56 6.62 0.33 2.29 -0.87 -1.26 -0.65 114.94 122.96 1tul s ASN 96 Ca 0.06 1.02 -0.29 0.00 -1.57 0.00 0.00 52.86 52.08 1tul s ASN 96 Cb -0.15 -2.27 -0.12 0.00 -0.02 0.00 0.00 41.25 38.69 1tul s ASN 96 CO 0.07 -0.18 1.49 1.17 -2.57 0.00 0.00 177.10 177.09 1tul n LYS 97 N -0.49 2.56 -0.53 -0.60 4.81 -1.26 -0.97 118.16 121.67 1tul n LYS 97 Ca 0.01 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1tul n LYS 97 Cb 0.53 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1tul n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tul n GLY 98 N 1.25 1.71 3.79 3.14 0.00 0.13 -4.95 105.19 110.27 1tul n GLY 98 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1tul n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tul s GLN 99 N -0.08 3.85 -0.17 1.61 0.74 -0.15 -4.64 119.66 120.82 1tul s GLN 99 Ca 0.00 1.39 -0.23 0.00 0.05 0.00 0.00 55.36 56.56 1tul s GLN 99 Cb 0.00 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 1tul s GLN 99 CO 0.00 -0.39 0.75 1.41 -0.55 0.00 0.00 175.29 176.51 1tul s MET 100 N -3.12 4.27 -0.17 1.67 -2.45 -1.26 0.25 119.30 118.50 1tul s MET 100 Ca 0.66 0.86 -0.21 0.00 -1.25 0.00 0.00 55.69 55.75 1tul s MET 100 Cb -0.17 -3.57 -0.22 0.00 1.25 0.00 0.00 34.83 32.12 1tul s MET 100 CO 0.21 -0.27 0.40 1.25 1.05 0.00 0.00 175.02 177.65 1tul h LEU 101 N 8.18 0.10 -7.92 4.11 5.85 -1.15 -3.44 115.31 121.05 1tul h LEU 101 Ca -0.31 -0.69 0.09 0.00 0.84 0.00 0.00 57.88 57.81 1tul h LEU 101 Cb 1.14 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1tul h LEU 101 CO 0.81 1.45 0.30 0.72 -0.34 0.00 0.00 178.44 181.38 1tul s PHE 102 N -2.37 -0.15 0.08 1.25 -0.71 -1.23 -2.33 117.98 112.53 1tul s PHE 102 Ca -0.25 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1tul s PHE 102 Cb 0.04 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.52 1tul s PHE 102 CO 0.66 -1.16 -0.07 -0.65 -1.34 0.00 0.00 175.22 172.65 1tul s GLN 103 N -3.60 0.75 -0.12 1.99 -0.21 -0.74 -0.75 119.66 116.97 1tul s GLN 103 Ca 0.12 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 54.36 1tul s GLN 103 Cb -0.05 -0.27 0.02 0.00 1.00 0.00 0.00 33.01 33.71 1tul s GLN 103 CO 0.06 0.01 -0.15 0.95 -2.12 0.00 0.00 175.29 174.04 1tul s THR 104 N -2.86 1.51 -0.26 -0.19 -4.23 -0.47 0.43 115.64 109.57 1tul s THR 104 Ca 0.05 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.82 1tul s THR 104 Cb 0.00 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1tul s THR 104 CO -0.03 0.44 0.16 -0.75 -0.54 0.00 0.00 174.62 173.91 1tul s LYS 105 N 1.10 3.92 -0.18 3.99 2.47 0.23 -1.23 119.74 130.04 1tul s LYS 105 Ca -0.04 -0.34 -0.15 0.00 -1.56 0.00 0.00 55.97 53.88 1tul s LYS 105 Cb -0.14 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1tul s LYS 105 CO -0.03 -0.12 0.35 0.42 0.16 0.00 0.00 175.35 176.12 1tul s ILE 106 N 1.56 5.25 -0.59 5.43 1.01 -0.05 0.03 121.20 133.84 1tul s ILE 106 Ca 0.07 0.63 -0.19 0.00 0.00 0.00 0.00 60.65 61.16 1tul s ILE 106 Cb -0.15 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.74 1tul s ILE 106 CO 0.08 0.31 0.69 0.26 0.00 0.00 0.00 174.94 176.28 1tul s TRP 107 N 0.96 3.02 -2.00 3.97 0.52 -0.16 -4.90 118.94 120.34 1tul s TRP 107 Ca 0.18 -0.99 0.28 0.00 0.02 0.00 0.00 56.10 55.58 1tul s TRP 107 Cb -0.14 -4.00 1.65 0.00 -1.15 0.00 0.00 33.47 29.83 1tul s TRP 107 CO 0.06 -1.27 1.99 0.54 0.02 0.00 0.00 176.95 178.29