#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl5 n THR 2 N 0.00 1.34 -4.31 0.00 5.66 -1.26 -4.55 114.28 111.17 1hl5 n THR 2 Ca 0.00 -0.52 -0.22 0.00 -3.05 0.00 0.00 64.05 60.25 1hl5 n THR 2 Cb 0.00 -1.30 -0.13 0.00 -1.55 0.00 0.00 70.33 67.35 1hl5 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1hl5 s LYS 3 N -2.47 1.05 0.15 1.09 1.02 -1.26 -0.23 119.74 119.09 1hl5 s LYS 3 Ca -0.31 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 1hl5 s LYS 3 Cb 0.08 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.14 1hl5 s LYS 3 CO 0.55 0.28 0.07 0.00 -0.92 0.00 0.00 175.35 175.33 1hl5 s ALA 4 N -1.12 0.97 0.07 5.17 0.00 -0.15 -0.94 121.76 125.76 1hl5 s ALA 4 Ca 0.04 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.40 1hl5 s ALA 4 Cb -0.10 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1hl5 s ALA 4 CO 0.03 -0.49 0.15 0.54 0.00 0.00 0.00 175.76 175.99 1hl5 s VAL 5 N -4.03 0.15 -0.12 0.00 0.11 0.34 -0.69 120.40 116.15 1hl5 s VAL 5 Ca 0.27 -1.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.03 1hl5 s VAL 5 Cb 0.07 -1.27 0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1hl5 s VAL 5 CO 0.04 -0.68 0.28 0.00 -3.33 0.00 0.00 175.10 171.41 1hl5 s VAL 7 N 1.54 5.22 -0.16 0.00 1.01 -1.26 -0.68 120.40 126.07 1hl5 s VAL 7 Ca -0.07 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 1hl5 s VAL 7 Cb -0.10 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1hl5 s VAL 7 CO -0.09 -0.02 0.49 -0.76 0.00 0.00 0.00 175.10 174.72 1hl5 s LEU 8 N 1.91 4.21 0.07 3.92 1.02 -0.13 -3.94 118.68 125.74 1hl5 s LEU 8 Ca 0.10 0.74 -0.08 0.00 0.02 0.00 0.00 54.13 54.91 1hl5 s LEU 8 Cb -0.17 -2.70 -0.00 0.00 0.02 0.00 0.00 46.19 43.34 1hl5 s LEU 8 CO 0.11 -0.09 0.18 -0.54 0.02 0.00 0.00 176.35 176.03 1hl5 s LYS 9 N 1.11 0.78 0.00 1.70 1.02 -0.44 -2.49 119.74 121.42 1hl5 s LYS 9 Ca 0.25 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1hl5 s LYS 9 Cb -0.15 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1hl5 s LYS 9 CO 0.10 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1hl5 n GLY 10 N 0.17 2.68 0.18 -3.33 0.00 -1.25 -0.91 105.19 102.73 1hl5 n GLY 10 Ca -0.16 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 44.94 1hl5 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl5 h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.92 -3.47 116.42 115.96 1hl5 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hl5 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hl5 h ASP 11 CO 0.00 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 1hl5 n GLY 12 N 0.61 2.82 0.05 2.75 0.00 -1.26 -5.00 105.19 105.16 1hl5 n GLY 12 Ca 0.01 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.33 1hl5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 13 N 0.00 0.64 -2.66 1.61 -0.04 -1.26 -4.87 135.00 128.42 1hl5 n PRO 13 Ca 0.00 -0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 1hl5 n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1hl5 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl5 s VAL 14 N -2.44 4.71 0.04 0.52 1.01 -1.26 -4.17 120.40 118.80 1hl5 s VAL 14 Ca 0.32 2.01 -0.19 0.00 0.00 0.00 0.00 61.98 64.12 1hl5 s VAL 14 Cb 0.20 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1hl5 s VAL 14 CO 0.45 -0.08 0.43 0.00 0.00 0.00 0.00 175.10 175.90 1hl5 s GLN 15 N 2.59 0.92 0.04 2.72 -2.07 -0.90 -3.88 119.66 119.09 1hl5 s GLN 15 Ca 0.47 -0.31 -0.27 0.00 -1.82 0.00 0.00 55.36 53.42 1hl5 s GLN 15 Cb -0.17 0.41 0.10 0.00 -1.09 0.00 0.00 33.01 32.26 1hl5 s GLN 15 CO 0.13 -0.31 1.20 0.20 -1.32 0.00 0.00 175.29 175.19 1hl5 s GLY 16 N -1.92 -0.17 -0.05 2.60 0.00 -1.04 -0.09 107.32 106.65 1hl5 s GLY 16 Ca -0.06 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1hl5 s GLY 16 CO -0.01 2.73 -0.07 -0.42 0.00 0.00 0.00 173.10 175.32 1hl5 s ILE 17 N -2.28 0.72 -0.07 0.90 1.01 -0.91 -0.96 121.20 119.61 1hl5 s ILE 17 Ca 0.22 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1hl5 s ILE 17 Cb 0.01 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1hl5 s ILE 17 CO -0.00 0.26 -0.20 -0.63 0.00 0.00 0.00 174.94 174.37 1hl5 s ILE 18 N 0.76 1.69 0.08 2.92 -1.09 0.14 -2.36 121.20 123.34 1hl5 s ILE 18 Ca -0.12 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 1hl5 s ILE 18 Cb -0.14 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1hl5 s ILE 18 CO 0.01 0.48 -0.06 0.20 -1.23 0.00 0.00 174.94 174.34 1hl5 s ASN 19 N 0.25 4.62 0.02 3.58 -0.87 0.57 -0.01 114.94 123.10 1hl5 s ASN 19 Ca -0.12 -0.28 0.05 0.00 -1.57 0.00 0.00 52.86 50.94 1hl5 s ASN 19 Cb -0.15 -0.99 -0.02 0.00 -0.02 0.00 0.00 41.25 40.07 1hl5 s ASN 19 CO 0.05 0.20 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.27 1hl5 s PHE 20 N -1.20 1.33 -0.08 2.20 0.40 0.13 -1.68 117.98 119.07 1hl5 s PHE 20 Ca 0.22 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1hl5 s PHE 20 Cb -0.11 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.63 1hl5 s PHE 20 CO 0.14 0.02 0.19 -1.21 0.70 0.00 0.00 175.22 175.06 1hl5 s GLU 21 N -0.78 0.17 -0.32 0.44 2.02 -0.76 -0.98 118.70 118.50 1hl5 s GLU 21 Ca 0.04 0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.39 1hl5 s GLU 21 Cb -0.07 -0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.21 1hl5 s GLU 21 CO 0.00 -0.11 0.12 -1.14 0.02 0.00 0.00 175.26 174.16 1hl5 s GLN 22 N 0.79 0.60 0.52 1.61 0.74 0.68 -0.65 119.66 123.95 1hl5 s GLN 22 Ca -0.06 -1.01 0.29 0.00 0.05 0.00 0.00 55.36 54.63 1hl5 s GLN 22 Cb -0.07 -1.75 1.37 0.00 1.10 0.00 0.00 33.01 33.65 1hl5 s GLN 22 CO -0.04 -1.02 2.01 0.87 -0.55 0.00 0.00 175.29 176.55 1hl5 h LYS 23 N 8.02 0.00 -4.49 1.67 1.57 -1.83 -3.43 116.57 118.08 1hl5 h LYS 23 Ca -0.13 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.16 1hl5 h LYS 23 Cb 1.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.98 1hl5 h LYS 23 CO 0.45 0.12 -0.80 -1.21 -0.57 0.00 0.00 179.45 177.44 1hl5 s GLU 24 N -3.93 1.43 0.00 3.15 2.02 -1.26 -5.01 118.70 115.09 1hl5 s GLU 24 Ca -0.01 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1hl5 s GLU 24 Cb 0.11 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.12 1hl5 s GLU 24 CO 0.58 0.03 0.00 -1.13 0.02 0.00 0.00 175.26 174.76 1hl5 n SER 25 N 3.74 0.00 0.00 -0.19 3.41 -1.26 0.39 113.62 119.70 1hl5 n SER 25 Ca -0.23 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1hl5 n SER 25 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1hl5 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1hl5 n ASN 26 N 1.16 0.00 -2.30 4.04 6.94 -1.26 -4.97 115.26 118.87 1hl5 n ASN 26 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1hl5 n ASN 26 Cb 0.00 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 1hl5 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hl5 n GLY 27 N 0.00 -0.51 3.62 4.83 0.00 0.16 -5.00 105.19 108.30 1hl5 n GLY 27 Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1hl5 n GLY 27 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hl5 n PRO 28 N -1.35 0.71 -4.12 1.61 -0.02 -1.26 -4.75 135.00 125.81 1hl5 n PRO 28 Ca 0.02 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 1hl5 n PRO 28 Cb 0.08 -2.21 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 1hl5 n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hl5 s VAL 29 N -1.65 2.38 -0.09 -1.45 1.01 0.24 -4.28 120.40 116.56 1hl5 s VAL 29 Ca 0.75 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 1hl5 s VAL 29 Cb -0.38 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1hl5 s VAL 29 CO 0.48 0.51 0.73 -0.54 0.00 0.00 0.00 175.10 176.28 1hl5 s LYS 30 N 1.28 4.40 -0.16 2.72 1.02 0.17 -1.30 119.74 127.87 1hl5 s LYS 30 Ca 0.04 0.91 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1hl5 s LYS 30 Cb -0.14 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1hl5 s LYS 30 CO -0.10 -0.04 -0.18 0.08 -0.92 0.00 0.00 175.35 174.19 1hl5 s VAL 31 N 1.15 2.30 0.05 3.17 1.01 0.01 -1.82 120.40 126.27 1hl5 s VAL 31 Ca 0.38 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 1hl5 s VAL 31 Cb -0.17 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1hl5 s VAL 31 CO 0.17 0.53 0.41 -1.66 0.00 0.00 0.00 175.10 174.55 1hl5 s TRP 32 N 1.03 -0.26 -4.68 5.22 -2.14 -0.68 -0.07 118.94 117.35 1hl5 s TRP 32 Ca -0.02 0.19 0.00 0.00 2.66 0.00 0.00 56.10 58.94 1hl5 s TRP 32 Cb -0.15 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 1hl5 s TRP 32 CO -0.05 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.06 1hl5 n GLY 33 N 0.43 -0.49 2.94 3.67 0.00 -0.70 -0.31 105.19 110.72 1hl5 n GLY 33 Ca -0.18 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1hl5 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hl5 s SER 34 N -4.00 -0.04 -0.06 1.61 0.15 -0.99 -0.66 113.70 109.71 1hl5 s SER 34 Ca 0.00 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.75 1hl5 s SER 34 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1hl5 s SER 34 CO 0.00 -0.05 -0.17 -0.63 1.20 0.00 0.00 173.24 173.59 1hl5 s ILE 35 N -0.10 1.49 0.44 6.45 1.01 -0.25 -2.14 121.20 128.10 1hl5 s ILE 35 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1hl5 s ILE 35 Cb -0.01 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 1hl5 s ILE 35 CO 0.00 0.43 0.01 -1.59 0.00 0.00 0.00 174.94 173.79 1hl5 s LYS 36 N 0.22 2.02 0.00 2.79 -2.85 0.87 -0.09 119.74 122.70 1hl5 s LYS 36 Ca -0.09 -2.20 0.00 0.00 -1.00 0.00 0.00 55.97 52.69 1hl5 s LYS 36 Cb -0.14 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 1hl5 s LYS 36 CO 0.04 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.73 1hl5 n GLY 37 N -1.05 0.63 3.93 0.59 0.00 -0.93 -2.11 105.19 106.26 1hl5 n GLY 37 Ca -0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1hl5 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 38 N 0.00 4.34 0.42 0.99 1.43 -0.81 -4.34 118.68 120.71 1hl5 s LEU 38 Ca 0.00 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.09 1hl5 s LEU 38 Cb 0.00 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 1hl5 s LEU 38 CO 0.00 0.11 1.28 0.42 0.23 0.00 0.00 176.35 178.38 1hl5 s THR 39 N -1.63 2.68 0.30 5.49 -4.23 -1.26 -3.99 115.64 113.00 1hl5 s THR 39 Ca 0.35 0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1hl5 s THR 39 Cb -0.12 -3.33 -0.12 0.00 1.34 0.00 0.00 72.50 70.26 1hl5 s THR 39 CO 0.28 0.07 1.39 1.21 -0.54 0.00 0.00 174.62 177.03 1hl5 n GLU 40 N -0.04 2.23 0.00 3.99 2.13 -1.26 -4.63 120.64 123.06 1hl5 n GLU 40 Ca 0.05 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1hl5 n GLU 40 Cb 0.44 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1hl5 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl5 n GLY 41 N 1.41 0.25 3.81 8.31 0.00 0.46 -4.92 105.19 114.51 1hl5 n GLY 41 Ca 0.07 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 1hl5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 42 N 0.00 4.49 -0.03 0.99 1.02 -1.26 -0.47 118.68 123.41 1hl5 s LEU 42 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 54.13 55.46 1hl5 s LEU 42 Cb 0.00 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 43.16 1hl5 s LEU 42 CO 0.00 0.22 0.01 -1.00 0.02 0.00 0.00 176.35 175.59 1hl5 s HIS 43 N -1.21 0.31 0.63 0.29 3.76 -0.45 -2.77 115.29 115.85 1hl5 s HIS 43 Ca 0.33 0.01 -0.18 0.00 -0.15 0.00 0.00 55.06 55.06 1hl5 s HIS 43 Cb -0.19 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 1hl5 s HIS 43 CO 0.20 -0.15 1.18 0.41 -0.85 0.00 0.00 174.74 175.54 1hl5 n GLY 44 N 4.30 0.26 2.93 -2.22 0.00 -0.42 -0.65 105.19 109.39 1hl5 n GLY 44 Ca -0.23 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1hl5 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hl5 s PHE 45 N -1.42 -0.81 0.03 1.61 5.36 -0.44 -0.76 117.98 121.55 1hl5 s PHE 45 Ca 0.80 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 57.60 1hl5 s PHE 45 Cb -0.39 0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.29 1hl5 s PHE 45 CO 0.43 -0.70 0.02 -1.01 -1.46 0.00 0.00 175.22 172.50 1hl5 s HIS 46 N 2.55 0.28 -0.30 10.12 3.76 -0.79 -2.46 115.29 128.45 1hl5 s HIS 46 Ca 0.12 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.27 1hl5 s HIS 46 Cb -0.15 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.30 1hl5 s HIS 46 CO -0.16 -0.30 0.35 0.08 -0.85 0.00 0.00 174.74 173.87 1hl5 s VAL 47 N -2.40 5.18 0.49 -0.90 1.01 -0.09 -0.66 120.40 123.04 1hl5 s VAL 47 Ca -0.07 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1hl5 s VAL 47 Cb -0.03 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1hl5 s VAL 47 CO -0.04 0.05 0.72 -1.00 0.00 0.00 0.00 175.10 174.84 1hl5 s HIS 48 N 2.03 3.12 0.01 5.22 3.76 0.19 -1.26 115.29 128.36 1hl5 s HIS 48 Ca 0.13 0.20 -0.23 0.00 -0.15 0.00 0.00 55.06 55.01 1hl5 s HIS 48 Cb -0.16 -2.48 -0.17 0.00 1.11 0.00 0.00 32.58 30.88 1hl5 s HIS 48 CO 0.11 -0.55 1.31 1.49 -0.85 0.00 0.00 174.74 176.25 1hl5 h GLU 49 N 0.25 0.18 -5.86 1.40 4.81 -0.64 -3.02 114.58 111.70 1hl5 h GLU 49 Ca -0.45 -0.09 -0.63 0.00 -0.13 0.00 0.00 59.36 58.05 1hl5 h GLU 49 Cb 1.27 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1hl5 h GLU 49 CO 0.56 0.61 -0.40 -0.06 -0.73 0.00 0.00 179.01 178.99 1hl5 s PHE 50 N -4.31 3.59 -0.55 0.92 0.08 0.53 -4.65 117.98 113.58 1hl5 s PHE 50 Ca -0.15 0.57 -0.03 0.00 0.12 0.00 0.00 56.93 57.44 1hl5 s PHE 50 Cb 0.03 -1.98 0.21 0.00 -0.57 0.00 0.00 43.02 40.71 1hl5 s PHE 50 CO 0.71 0.64 2.36 0.41 -0.10 0.00 0.00 175.22 179.25 1hl5 n GLY 51 N 1.28 4.79 3.30 4.36 0.00 -1.12 -3.17 105.19 114.63 1hl5 n GLY 51 Ca -0.13 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1hl5 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hl5 s ASP 52 N -0.31 4.32 -0.14 1.61 -1.08 -1.26 -4.94 116.67 114.86 1hl5 s ASP 52 Ca 0.53 -0.44 0.17 0.00 -0.52 0.00 0.00 52.55 52.29 1hl5 s ASP 52 Cb 0.39 -1.74 0.30 0.00 -1.46 0.00 0.00 42.92 40.41 1hl5 s ASP 52 CO -0.20 -0.03 1.16 0.59 0.52 0.00 0.00 175.17 177.20 1hl5 n ASN 53 N 4.79 2.14 0.26 -0.34 4.13 -1.26 -2.61 115.26 122.36 1hl5 n ASN 53 Ca -0.18 -3.17 0.09 0.00 1.68 0.00 0.00 54.58 53.00 1hl5 n ASN 53 Cb 0.50 -0.44 0.65 0.00 -1.54 0.00 0.00 39.78 38.96 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1hl5 h THR 54 N 0.51 0.91 -0.07 3.41 1.35 -1.93 -1.88 112.91 115.21 1hl5 h THR 54 Ca -0.00 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 1hl5 h THR 54 Cb 1.02 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1hl5 h THR 54 CO 0.00 0.07 -0.36 0.00 -0.25 0.00 0.00 175.52 174.98 1hl5 n ALA 55 N -2.46 3.61 0.00 6.62 0.00 -1.26 -5.08 120.51 121.93 1hl5 n ALA 55 Ca -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1hl5 n ALA 55 Cb 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1hl5 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 56 N -1.15 -0.84 0.28 0.00 0.00 -0.71 -4.22 105.19 98.56 1hl5 n GLY 56 Ca 0.21 -1.23 0.16 0.00 0.00 0.00 0.00 46.02 45.17 1hl5 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hl5 h THR 58 N 0.00 0.08 0.00 0.00 1.03 -1.90 -2.69 112.91 109.43 1hl5 h THR 58 Ca -0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1hl5 h THR 58 Cb 0.35 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1hl5 h THR 58 CO 0.01 0.03 0.00 -1.20 -0.01 0.00 0.00 175.52 174.34 1hl5 n SER 59 N -3.15 0.35 0.00 0.00 7.64 -1.07 -3.32 113.62 114.08 1hl5 n SER 59 Ca -0.00 0.57 0.09 0.00 1.01 0.00 0.00 58.87 60.54 1hl5 n SER 59 Cb 0.28 -0.65 0.43 0.00 -1.01 0.00 0.00 64.21 63.27 1hl5 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hl5 n ALA 60 N -1.64 1.92 -0.11 -0.43 0.00 -1.02 -4.42 120.51 114.82 1hl5 n ALA 60 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hl5 n ALA 60 Cb 0.25 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1hl5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 61 N 0.35 -1.68 0.09 0.00 0.00 -1.21 -0.35 105.19 102.39 1hl5 n GLY 61 Ca 0.07 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.75 1hl5 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 62 N -0.14 0.39 -2.01 1.61 -0.05 -1.26 -4.59 135.00 128.94 1hl5 n PRO 62 Ca 0.00 -0.06 -0.39 0.00 -0.05 0.00 0.00 63.50 63.00 1hl5 n PRO 62 Cb 0.00 -0.02 0.01 0.00 -0.05 0.00 0.00 33.50 33.44 1hl5 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1hl5 s HIS 63 N -0.26 2.68 -0.05 0.54 3.76 -1.26 -0.86 115.29 119.84 1hl5 s HIS 63 Ca 0.02 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.04 1hl5 s HIS 63 Cb -0.00 -3.66 -0.08 0.00 1.11 0.00 0.00 32.58 29.94 1hl5 s HIS 63 CO 0.01 -2.23 2.04 0.34 -0.85 0.00 0.00 174.74 174.05 1hl5 n PHE 64 N -0.29 2.33 -2.96 1.40 7.35 -0.39 -4.45 117.46 120.45 1hl5 n PHE 64 Ca 0.06 -0.27 -0.12 0.00 -0.76 0.00 0.00 57.45 56.36 1hl5 n PHE 64 Cb 0.45 -2.77 -0.02 0.00 0.35 0.00 0.00 39.48 37.49 1hl5 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1hl5 n ASN 65 N 8.69 -2.31 0.13 -2.13 5.15 -1.26 -2.13 115.26 121.39 1hl5 n ASN 65 Ca 0.23 -2.82 0.13 0.00 -0.60 0.00 0.00 54.58 51.52 1hl5 n ASN 65 Cb 0.41 0.98 0.45 0.00 -0.53 0.00 0.00 39.78 41.08 1hl5 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1hl5 h PRO 66 N 4.92 0.00 -0.02 1.20 0.13 -1.95 -2.95 132.00 133.33 1hl5 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1hl5 h PRO 66 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1hl5 h PRO 66 CO 0.19 0.00 -0.02 1.28 -0.23 0.00 0.00 178.00 179.22 1hl5 n LEU 67 N -2.30 2.10 -0.04 1.56 4.77 -1.26 -4.95 117.00 116.87 1hl5 n LEU 67 Ca 0.04 -0.70 -0.01 0.00 -0.03 0.00 0.00 56.01 55.31 1hl5 n LEU 67 Cb 0.34 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1hl5 n LEU 67 CO 0.26 0.35 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.46 1hl5 n SER 68 N 0.61 -4.80 -3.45 -1.43 7.64 -1.12 -4.99 113.62 106.09 1hl5 n SER 68 Ca 0.17 0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.80 1hl5 n SER 68 Cb 0.46 -2.35 0.22 0.00 -1.01 0.00 0.00 64.21 61.53 1hl5 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hl5 n ARG 69 N -0.67 -2.78 -3.36 1.43 1.74 -1.26 -5.07 116.66 106.69 1hl5 n ARG 69 Ca -0.01 -1.56 -0.27 0.00 -0.77 0.00 0.00 57.85 55.24 1hl5 n ARG 69 Cb 0.31 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1hl5 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1hl5 s LYS 70 N -5.21 3.58 0.35 5.56 -0.14 -1.26 -4.92 119.74 117.70 1hl5 s LYS 70 Ca 0.63 -0.11 -0.27 0.00 -1.36 0.00 0.00 55.97 54.86 1hl5 s LYS 70 Cb -0.06 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 1hl5 s LYS 70 CO 0.48 0.20 1.20 -1.58 -0.76 0.00 0.00 175.35 174.89 1hl5 s HIS 71 N -2.15 3.16 0.00 3.18 5.65 0.15 -3.73 115.29 121.55 1hl5 s HIS 71 Ca 0.42 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.27 1hl5 s HIS 71 Cb -0.10 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.83 1hl5 s HIS 71 CO 0.32 -1.35 0.00 0.41 -0.65 0.00 0.00 174.74 173.47 1hl5 n GLY 72 N 0.80 2.58 3.99 1.59 0.00 -1.24 -4.29 105.19 108.62 1hl5 n GLY 72 Ca 0.02 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 1hl5 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hl5 s GLY 73 N -0.92 1.83 0.14 -0.02 0.00 -1.21 -4.66 107.32 102.48 1hl5 s GLY 73 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 44.72 42.99 1hl5 s GLY 73 CO 0.00 -1.21 1.70 -2.55 0.00 0.00 0.00 173.10 171.04 1hl5 h PRO 74 N 0.07 0.05 0.00 2.90 0.11 -1.87 -2.38 132.00 130.88 1hl5 h PRO 74 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1hl5 h PRO 74 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1hl5 h PRO 74 CO 0.47 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 179.93 1hl5 n LYS 75 N -5.19 0.34 -1.05 1.05 5.02 -1.26 -4.81 118.16 112.26 1hl5 n LYS 75 Ca -0.00 0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1hl5 n LYS 75 Cb 0.15 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.92 1hl5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hl5 s ASP 76 N -2.36 0.59 -0.14 4.39 1.11 -0.90 -4.98 116.67 114.38 1hl5 s ASP 76 Ca 0.19 0.54 0.08 0.00 0.18 0.00 0.00 52.55 53.54 1hl5 s ASP 76 Cb 0.11 -0.71 -0.15 0.00 1.07 0.00 0.00 42.92 43.25 1hl5 s ASP 76 CO 0.23 -4.32 -0.02 1.21 1.18 0.00 0.00 175.17 173.45 1hl5 n GLU 77 N -4.88 1.34 -2.49 8.23 2.13 -1.26 -4.67 120.64 119.04 1hl5 n GLU 77 Ca 0.15 0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.57 1hl5 n GLU 77 Cb 0.60 -1.34 0.01 0.00 0.27 0.00 0.00 31.44 30.97 1hl5 n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1hl5 n GLU 78 N -2.67 4.03 -4.52 5.31 4.07 -1.26 -4.96 120.64 120.64 1hl5 n GLU 78 Ca -0.25 -3.84 -0.26 0.00 -0.06 0.00 0.00 57.16 52.76 1hl5 n GLU 78 Cb 0.89 -2.77 -0.10 0.00 -0.06 0.00 0.00 31.44 29.40 1hl5 n GLU 78 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1hl5 s ARG 79 N -0.82 1.84 0.43 5.31 1.70 -1.26 -3.61 118.95 122.54 1hl5 s ARG 79 Ca 0.39 -1.91 -0.15 0.00 -0.47 0.00 0.00 55.73 53.59 1hl5 s ARG 79 Cb 0.10 -1.73 -0.08 0.00 -0.57 0.00 0.00 34.95 32.66 1hl5 s ARG 79 CO 0.02 0.15 0.87 -1.01 -1.08 0.00 0.00 175.30 174.25 1hl5 s HIS 80 N -2.59 3.42 0.36 5.89 3.76 -1.24 -4.79 115.29 120.09 1hl5 s HIS 80 Ca 0.33 1.31 0.08 0.00 -0.15 0.00 0.00 55.06 56.63 1hl5 s HIS 80 Cb 0.02 -2.65 0.79 0.00 1.11 0.00 0.00 32.58 31.85 1hl5 s HIS 80 CO 0.17 -0.17 1.91 0.28 -0.85 0.00 0.00 174.74 176.08 1hl5 h VAL 81 N 1.31 0.91 -0.24 -0.90 2.07 -1.90 -1.14 116.25 116.37 1hl5 h VAL 81 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1hl5 h VAL 81 Cb 1.18 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1hl5 h VAL 81 CO 0.63 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1hl5 n GLY 82 N -1.44 0.26 3.56 2.17 0.00 -0.91 -4.31 105.19 104.52 1hl5 n GLY 82 Ca 0.15 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1hl5 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hl5 s ASP 83 N -1.22 6.44 -0.08 1.61 1.01 -0.43 -0.91 116.67 123.09 1hl5 s ASP 83 Ca 0.24 -1.54 0.13 0.00 0.71 0.00 0.00 52.55 52.09 1hl5 s ASP 83 Cb 0.13 -2.57 0.51 0.00 1.01 0.00 0.00 42.92 42.00 1hl5 s ASP 83 CO 0.18 -1.56 1.37 0.18 0.21 0.00 0.00 175.17 175.55 1hl5 n LEU 84 N 9.21 3.50 0.00 1.23 4.77 -1.03 -3.33 117.00 131.34 1hl5 n LEU 84 Ca 0.36 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1hl5 n LEU 84 Cb 0.50 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1hl5 n LEU 84 CO 0.67 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 1hl5 n GLY 85 N 0.87 0.54 3.25 -0.72 0.00 -1.18 -4.77 105.19 103.18 1hl5 n GLY 85 Ca 0.18 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1hl5 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hl5 s ASN 86 N -4.00 2.39 0.22 1.61 0.01 -1.26 -1.32 114.94 112.59 1hl5 s ASN 86 Ca 0.00 -0.59 0.06 0.00 -0.71 0.00 0.00 52.86 51.62 1hl5 s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1hl5 s ASN 86 CO 0.00 0.09 0.18 0.68 -1.51 0.00 0.00 177.10 176.54 1hl5 s VAL 87 N -0.99 4.46 -0.19 1.60 -7.23 0.18 -4.91 120.40 113.33 1hl5 s VAL 87 Ca 0.06 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1hl5 s VAL 87 Cb -0.09 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.50 1hl5 s VAL 87 CO 0.03 -0.27 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.47 1hl5 s THR 88 N -2.01 2.05 0.03 5.32 2.01 -1.26 -1.34 115.64 120.44 1hl5 s THR 88 Ca 0.32 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 1hl5 s THR 88 Cb -0.09 -1.89 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 1hl5 s THR 88 CO 0.24 0.47 0.50 0.00 -0.69 0.00 0.00 174.62 175.15 1hl5 s ALA 89 N 1.28 3.62 0.95 7.40 0.00 0.38 -4.15 121.76 131.24 1hl5 s ALA 89 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1hl5 s ALA 89 Cb -0.14 -2.54 0.20 0.00 0.00 0.00 0.00 23.12 20.65 1hl5 s ALA 89 CO -0.12 0.40 1.22 -0.40 0.00 0.00 0.00 175.76 176.87 1hl5 n ASP 90 N 1.91 0.31 0.05 0.00 5.68 0.78 -0.41 116.55 124.87 1hl5 n ASP 90 Ca -0.11 -1.57 0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1hl5 n ASP 90 Cb 0.51 -0.92 0.57 0.00 -1.14 0.00 0.00 41.12 40.15 1hl5 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1hl5 h LYS 91 N 0.00 0.22 -0.01 0.11 2.10 -1.96 0.52 116.57 117.55 1hl5 h LYS 91 Ca -0.40 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1hl5 h LYS 91 Cb 1.15 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1hl5 h LYS 91 CO 0.30 0.15 0.00 -0.25 -2.00 0.00 0.00 179.45 177.65 1hl5 n ASP 92 N -4.47 0.24 0.00 7.07 8.00 -1.26 -4.77 116.55 121.36 1hl5 n ASP 92 Ca 0.05 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1hl5 n ASP 92 Cb 0.29 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1hl5 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl5 n GLY 93 N 0.96 0.65 3.71 0.44 0.00 0.17 -4.73 105.19 106.40 1hl5 n GLY 93 Ca 0.20 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1hl5 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hl5 s VAL 94 N -2.00 5.12 -0.31 1.61 1.01 -1.25 -1.93 120.40 122.63 1hl5 s VAL 94 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1hl5 s VAL 94 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1hl5 s VAL 94 CO 0.00 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.63 1hl5 s ALA 95 N 0.12 2.92 -0.24 5.51 0.00 0.87 -0.15 121.76 130.78 1hl5 s ALA 95 Ca 0.07 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.08 1hl5 s ALA 95 Cb -0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1hl5 s ALA 95 CO -0.00 -1.27 0.71 -0.51 0.00 0.00 0.00 175.76 174.69 1hl5 s ASP 96 N 1.33 6.69 -0.18 0.00 -0.00 -1.26 -1.09 116.67 122.17 1hl5 s ASP 96 Ca -0.03 0.85 -0.09 0.00 -0.00 0.00 0.00 52.55 53.28 1hl5 s ASP 96 Cb -0.19 -2.38 -0.05 0.00 -0.00 0.00 0.00 42.92 40.30 1hl5 s ASP 96 CO 0.01 -0.42 0.12 -0.69 -0.00 0.00 0.00 175.17 174.19 1hl5 s VAL 97 N 2.59 5.34 -0.31 -1.27 1.01 0.17 -4.79 120.40 123.13 1hl5 s VAL 97 Ca 0.30 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1hl5 s VAL 97 Cb -0.15 -3.41 0.18 0.00 0.00 0.00 0.00 36.38 32.99 1hl5 s VAL 97 CO 0.08 0.48 0.51 -0.55 0.00 0.00 0.00 175.10 175.62 1hl5 s SER 98 N 0.07 -0.64 0.22 3.32 0.15 -1.24 -1.71 113.70 113.86 1hl5 s SER 98 Ca 0.09 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.50 1hl5 s SER 98 Cb -0.11 1.56 -0.05 0.00 -1.71 0.00 0.00 66.02 65.71 1hl5 s SER 98 CO -0.01 -0.30 -0.13 -0.63 1.20 0.00 0.00 173.24 173.38 1hl5 s ILE 99 N 2.46 1.75 -0.01 6.45 1.01 0.89 -4.99 121.20 128.77 1hl5 s ILE 99 Ca 0.11 -2.20 0.02 0.00 0.00 0.00 0.00 60.65 58.58 1hl5 s ILE 99 Cb -0.10 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1hl5 s ILE 99 CO -0.23 -0.52 -0.07 -0.70 0.00 0.00 0.00 174.94 173.42 1hl5 s GLU 100 N -3.66 0.59 -0.17 2.79 2.12 -1.26 -0.81 118.70 118.30 1hl5 s GLU 100 Ca 0.24 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.24 1hl5 s GLU 100 Cb 0.00 -0.57 0.06 0.00 0.26 0.00 0.00 34.13 33.87 1hl5 s GLU 100 CO 0.08 0.14 0.41 0.34 -0.54 0.00 0.00 175.26 175.69 1hl5 s ASP 101 N -0.09 -0.52 0.00 -1.70 2.15 -0.42 -4.92 116.67 111.17 1hl5 s ASP 101 Ca 0.02 0.90 0.19 0.00 0.43 0.00 0.00 52.55 54.08 1hl5 s ASP 101 Cb -0.04 0.78 0.44 0.00 -0.30 0.00 0.00 42.92 43.80 1hl5 s ASP 101 CO -0.00 -0.19 1.36 -1.20 -0.17 0.00 0.00 175.17 174.97 1hl5 n SER 102 N 4.22 3.37 -0.09 -0.34 7.64 -1.26 -0.59 113.62 126.57 1hl5 n SER 102 Ca -0.23 -1.95 -0.23 0.00 1.01 0.00 0.00 58.87 57.47 1hl5 n SER 102 Cb 0.55 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1hl5 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1hl5 n VAL 103 N 1.26 1.60 -1.87 0.44 0.31 -1.26 -4.90 118.33 113.91 1hl5 n VAL 103 Ca 0.18 -0.43 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1hl5 n VAL 103 Cb 0.55 -1.76 0.03 0.00 -0.91 0.00 0.00 33.84 31.75 1hl5 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hl5 s ILE 104 N -2.49 3.72 0.16 2.52 -4.36 -1.26 -4.86 121.20 114.63 1hl5 s ILE 104 Ca -0.31 0.75 -0.12 0.00 -0.26 0.00 0.00 60.65 60.72 1hl5 s ILE 104 Cb 0.09 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1hl5 s ILE 104 CO 0.62 -0.54 0.34 -0.55 0.24 0.00 0.00 174.94 175.04 1hl5 s SER 105 N -2.96 -0.04 -0.01 4.36 0.15 -0.64 -4.71 113.70 109.85 1hl5 s SER 105 Ca 0.63 -0.70 0.13 0.00 0.70 0.00 0.00 55.95 56.71 1hl5 s SER 105 Cb -0.16 0.46 0.38 0.00 -1.71 0.00 0.00 66.02 64.99 1hl5 s SER 105 CO 0.42 -0.90 1.32 0.18 1.20 0.00 0.00 173.24 175.46 1hl5 n LEU 106 N -0.22 3.19 -3.74 3.45 4.77 -1.26 -1.10 117.00 122.09 1hl5 n LEU 106 Ca -0.10 -2.06 -0.14 0.00 -0.03 0.00 0.00 56.01 53.68 1hl5 n LEU 106 Cb 0.63 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1hl5 n LEU 106 CO 0.22 0.77 0.05 -0.94 -1.33 0.00 0.00 177.39 176.16 1hl5 s SER 107 N -1.04 -0.26 0.00 -1.43 1.04 -1.26 -1.01 113.70 109.74 1hl5 s SER 107 Ca 0.29 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1hl5 s SER 107 Cb 0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1hl5 s SER 107 CO 0.19 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1hl5 n GLY 108 N 1.57 -1.76 0.35 7.32 0.00 -1.26 -4.18 105.19 107.23 1hl5 n GLY 108 Ca -0.20 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.18 1hl5 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl5 h ASP 109 N 0.00 0.57 -0.93 1.61 3.58 -2.01 -2.37 116.42 116.88 1hl5 h ASP 109 Ca 0.00 0.01 -0.52 0.00 0.42 0.00 0.00 57.03 56.94 1hl5 h ASP 109 Cb 0.00 -0.12 -0.29 0.00 1.72 0.00 0.00 39.33 40.65 1hl5 h ASP 109 CO 0.00 0.36 0.60 1.41 -2.88 0.00 0.00 179.24 178.73 1hl5 n HIS 110 N -4.48 2.89 -2.13 0.28 8.25 -1.26 -4.99 115.22 113.78 1hl5 n HIS 110 Ca 0.10 -2.07 -0.42 0.00 -0.26 0.00 0.00 57.72 55.07 1hl5 n HIS 110 Cb 0.27 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 1hl5 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl5 n ILE 112 N 3.97 0.00 -2.00 0.00 -5.35 -0.26 -4.93 119.36 110.79 1hl5 n ILE 112 Ca 0.12 -0.39 -0.41 0.00 -0.27 0.00 0.00 62.75 61.79 1hl5 n ILE 112 Cb 0.42 1.33 -0.02 0.00 -1.74 0.00 0.00 39.64 39.62 1hl5 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1hl5 s ILE 113 N -1.98 2.62 0.00 7.28 -1.09 -1.26 -2.20 121.20 124.57 1hl5 s ILE 113 Ca 0.20 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 1hl5 s ILE 113 Cb 0.16 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1hl5 s ILE 113 CO 0.38 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1hl5 n GLY 114 N 2.11 0.76 2.76 6.18 0.00 -0.01 -4.99 105.19 112.00 1hl5 n GLY 114 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1hl5 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl5 n ARG 115 N -2.24 0.90 -4.46 1.61 1.74 -0.93 -2.78 116.66 110.49 1hl5 n ARG 115 Ca 0.00 -2.49 -0.34 0.00 -0.77 0.00 0.00 57.85 54.26 1hl5 n ARG 115 Cb 0.00 0.25 -0.13 0.00 -1.02 0.00 0.00 32.46 31.56 1hl5 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1hl5 s THR 116 N -1.97 3.47 -0.06 0.55 2.01 -1.14 0.64 115.64 119.15 1hl5 s THR 116 Ca 0.23 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1hl5 s THR 116 Cb -0.02 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1hl5 s THR 116 CO 0.15 0.49 0.51 -0.22 -0.69 0.00 0.00 174.62 174.86 1hl5 s LEU 117 N 0.55 4.36 -0.04 4.42 2.96 -0.10 0.53 118.68 131.36 1hl5 s LEU 117 Ca -0.05 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1hl5 s LEU 117 Cb -0.15 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1hl5 s LEU 117 CO 0.03 0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.27 1hl5 s VAL 118 N 0.06 1.57 -0.11 1.68 1.01 0.17 -1.91 120.40 122.87 1hl5 s VAL 118 Ca 0.28 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1hl5 s VAL 118 Cb -0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1hl5 s VAL 118 CO 0.13 0.45 -0.03 0.54 0.00 0.00 0.00 175.10 176.19 1hl5 s VAL 119 N -0.05 4.03 0.32 2.92 0.11 -0.41 -1.89 120.40 125.44 1hl5 s VAL 119 Ca -0.03 -0.34 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 1hl5 s VAL 119 Cb -0.12 -2.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1hl5 s VAL 119 CO 0.02 0.56 0.31 -1.00 -3.33 0.00 0.00 175.10 171.66 1hl5 s HIS 120 N -0.39 2.98 0.16 1.54 3.76 0.06 -1.67 115.29 121.73 1hl5 s HIS 120 Ca 0.07 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.58 1hl5 s HIS 120 Cb -0.12 -1.77 0.04 0.00 1.11 0.00 0.00 32.58 31.84 1hl5 s HIS 120 CO 0.02 0.21 1.75 1.49 -0.85 0.00 0.00 174.74 177.36 1hl5 h GLU 121 N 1.22 0.71 -5.16 1.40 4.81 -0.69 -3.39 114.58 113.48 1hl5 h GLU 121 Ca -0.46 -0.10 -0.64 0.00 -0.13 0.00 0.00 59.36 58.04 1hl5 h GLU 121 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 1hl5 h GLU 121 CO 0.58 0.58 -0.52 0.15 -0.73 0.00 0.00 179.01 179.07 1hl5 s LYS 122 N -5.76 2.10 0.48 1.92 1.02 0.39 -4.90 119.74 114.99 1hl5 s LYS 122 Ca -0.13 -2.32 -0.22 0.00 0.02 0.00 0.00 55.97 53.32 1hl5 s LYS 122 Cb 0.12 -1.22 -0.07 0.00 -0.52 0.00 0.00 37.83 36.14 1hl5 s LYS 122 CO 0.76 -0.39 1.18 0.00 -0.92 0.00 0.00 175.35 175.98 1hl5 s ALA 123 N -2.99 2.90 -0.13 5.17 0.00 -1.12 -1.30 121.76 124.31 1hl5 s ALA 123 Ca 0.13 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 1hl5 s ALA 123 Cb 0.02 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1hl5 s ALA 123 CO 0.07 -0.76 0.84 0.34 0.00 0.00 0.00 175.76 176.25 1hl5 s ASP 124 N -1.39 7.03 0.00 0.00 -1.08 -1.26 -3.68 116.67 116.30 1hl5 s ASP 124 Ca 0.66 1.26 0.08 0.00 -0.52 0.00 0.00 52.55 54.03 1hl5 s ASP 124 Cb -0.29 -2.47 0.39 0.00 -1.46 0.00 0.00 42.92 39.09 1hl5 s ASP 124 CO 0.35 -0.34 1.27 -0.90 0.52 0.00 0.00 175.17 176.07 1hl5 n ASP 125 N 4.80 0.36 -1.19 -0.34 5.68 0.17 -4.87 116.55 121.17 1hl5 n ASP 125 Ca 0.04 -1.82 -0.15 0.00 -0.50 0.00 0.00 54.79 52.35 1hl5 n ASP 125 Cb 0.49 -0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 1hl5 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1hl5 n LEU 126 N -0.39 -1.08 0.00 -2.12 4.77 -1.26 -2.70 117.00 114.22 1hl5 n LEU 126 Ca 0.06 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1hl5 n LEU 126 Cb 0.08 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1hl5 n LEU 126 CO 0.05 -0.86 0.00 0.61 -1.33 0.00 0.00 177.39 175.86 1hl5 n GLY 127 N -0.89 0.50 1.41 -0.72 0.00 -1.26 -3.35 105.19 100.88 1hl5 n GLY 127 Ca -0.15 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1hl5 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hl5 n LYS 128 N -2.83 1.25 0.00 1.61 -0.00 -1.10 -4.65 118.16 112.43 1hl5 n LYS 128 Ca 0.00 -2.94 0.15 0.00 -0.00 0.00 0.00 58.31 55.53 1hl5 n LYS 128 Cb 0.00 -1.08 0.86 0.00 -0.00 0.00 0.00 35.03 34.81 1hl5 n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hl5 n GLY 129 N -0.38 -1.10 2.07 2.58 0.00 -1.26 -4.93 105.19 102.16 1hl5 n GLY 129 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1hl5 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hl5 n GLY 130 N 1.12 0.74 3.45 -0.02 0.00 -1.26 -5.02 105.19 104.21 1hl5 n GLY 130 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1hl5 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl5 s ASN 131 N -2.47 2.33 0.14 1.61 2.20 -1.26 -5.05 114.94 112.43 1hl5 s ASN 131 Ca 0.00 -1.41 -0.15 0.00 -0.94 0.00 0.00 52.86 50.37 1hl5 s ASN 131 Cb 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 41.25 39.25 1hl5 s ASN 131 CO 0.00 -0.65 1.66 1.05 -2.94 0.00 0.00 177.10 176.22 1hl5 h GLU 132 N 2.10 0.69 -0.72 3.55 4.11 -2.01 -2.20 114.58 120.10 1hl5 h GLU 132 Ca -0.40 -0.15 0.16 0.00 0.07 0.00 0.00 59.36 59.04 1hl5 h GLU 132 Cb 1.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1hl5 h GLU 132 CO 0.68 0.66 0.49 1.49 0.07 0.00 0.00 179.01 182.40 1hl5 h GLU 133 N 0.58 0.30 -0.76 1.06 4.57 -2.01 0.87 114.58 119.19 1hl5 h GLU 133 Ca 0.14 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1hl5 h GLU 133 Cb 0.26 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1hl5 h GLU 133 CO -0.01 0.20 0.39 1.03 -1.18 0.00 0.00 179.01 179.45 1hl5 h SER 134 N 0.31 0.96 0.17 1.04 0.87 -1.74 -2.10 113.55 113.05 1hl5 h SER 134 Ca 0.35 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1hl5 h SER 134 Cb 0.94 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1hl5 h SER 134 CO -0.09 0.79 0.00 0.35 -0.53 0.00 0.00 176.83 177.34 1hl5 n THR 135 N -4.34 0.42 0.00 2.23 -2.24 0.30 -2.06 114.28 108.59 1hl5 n THR 135 Ca 0.08 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1hl5 n THR 135 Cb 0.11 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1hl5 n THR 135 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1hl5 n LYS 136 N -1.19 0.00 0.00 -0.78 2.85 -0.94 0.34 118.16 118.44 1hl5 n LYS 136 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1hl5 n LYS 136 Cb 0.09 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 1hl5 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1hl5 n THR 137 N -2.33 0.00 -1.02 0.58 -2.24 -0.84 -4.69 114.28 103.76 1hl5 n THR 137 Ca 0.00 -0.43 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 1hl5 n THR 137 Cb 0.40 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1hl5 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hl5 n GLY 138 N 0.58 0.32 2.48 3.38 0.00 -0.87 -2.98 105.19 108.10 1hl5 n GLY 138 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1hl5 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hl5 n ASN 139 N -0.40 -5.41 0.00 1.61 3.02 -1.26 0.43 115.26 113.25 1hl5 n ASN 139 Ca -0.01 -0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1hl5 n ASN 139 Cb 0.23 -4.42 0.72 0.00 -0.61 0.00 0.00 39.78 35.70 1hl5 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hl5 n ALA 140 N -2.25 2.39 -0.43 5.41 0.00 -1.16 -4.72 120.51 119.74 1hl5 n ALA 140 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1hl5 n ALA 140 Cb 0.65 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1hl5 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 141 N 0.72 -0.07 3.68 0.00 0.00 -1.26 -0.47 105.19 107.79 1hl5 n GLY 141 Ca 0.16 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1hl5 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hl5 s SER 142 N -4.00 3.14 -0.38 1.61 1.04 -1.26 -4.61 113.70 109.24 1hl5 s SER 142 Ca 0.00 1.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.99 1hl5 s SER 142 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1hl5 s SER 142 CO 0.00 -2.88 0.34 -0.13 0.98 0.00 0.00 173.24 171.55 1hl5 s ARG 143 N -4.79 3.26 0.05 4.02 0.52 -1.26 -0.43 118.95 120.32 1hl5 s ARG 143 Ca 0.65 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1hl5 s ARG 143 Cb -0.20 -3.90 -0.25 0.00 0.52 0.00 0.00 34.95 31.12 1hl5 s ARG 143 CO 0.58 -0.66 1.02 -0.07 0.02 0.00 0.00 175.30 176.20 1hl5 h LEU 144 N 8.74 0.21 -7.00 2.53 3.38 -1.61 -3.48 115.31 118.08 1hl5 h LEU 144 Ca -0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1hl5 h LEU 144 Cb 1.13 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.64 1hl5 h LEU 144 CO 0.72 1.22 0.26 0.00 0.09 0.00 0.00 178.44 180.73 1hl5 s ALA 145 N -2.65 -1.75 0.23 1.53 0.00 -1.18 -4.09 121.76 113.86 1hl5 s ALA 145 Ca -0.04 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 1hl5 s ALA 145 Cb 0.08 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.43 1hl5 s ALA 145 CO 0.84 -0.50 0.61 0.00 0.00 0.00 0.00 175.76 176.72 1hl5 s GLY 147 N -2.89 -0.48 0.08 0.00 0.00 -0.80 -1.33 107.32 101.89 1hl5 s GLY 147 Ca 0.10 0.64 -0.23 0.00 0.00 0.00 0.00 44.72 45.23 1hl5 s GLY 147 CO 0.01 0.21 0.69 0.14 0.00 0.00 0.00 173.10 174.15 1hl5 s VAL 148 N -3.44 4.64 -0.08 1.40 1.01 -1.26 -0.92 120.40 121.75 1hl5 s VAL 148 Ca 0.04 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 1hl5 s VAL 148 Cb -0.01 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1hl5 s VAL 148 CO -0.09 0.47 1.13 -0.63 0.00 0.00 0.00 175.10 175.99 1hl5 s ILE 149 N -0.69 4.44 0.21 2.22 1.01 0.21 -4.54 121.20 124.07 1hl5 s ILE 149 Ca 0.34 1.75 0.11 0.00 0.00 0.00 0.00 60.65 62.84 1hl5 s ILE 149 Cb -0.21 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1hl5 s ILE 149 CO 0.22 -0.01 -0.17 -0.83 0.00 0.00 0.00 174.94 174.15 1hl5 s GLY 150 N 1.35 1.75 0.24 6.18 0.00 0.27 -0.83 107.32 116.28 1hl5 s GLY 150 Ca 0.53 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 1hl5 s GLY 150 CO 0.20 -1.69 1.33 -0.42 0.00 0.00 0.00 173.10 172.52 1hl5 s ILE 151 N -1.92 2.97 0.34 0.90 1.01 -1.26 -0.50 121.20 122.75 1hl5 s ILE 151 Ca 0.25 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.83 1hl5 s ILE 151 Cb -0.07 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1hl5 s ILE 151 CO 0.13 0.15 -0.07 0.00 0.00 0.00 0.00 174.94 175.16 1hl5 s ALA 152 N -0.26 2.88 -2.77 9.38 0.00 -0.12 -4.75 121.76 126.12 1hl5 s ALA 152 Ca 0.55 -2.10 0.26 0.00 0.00 0.00 0.00 51.96 50.67 1hl5 s ALA 152 Cb -0.38 0.05 0.58 0.00 0.00 0.00 0.00 23.12 23.37 1hl5 s ALA 152 CO 0.43 0.01 1.48 0.94 0.00 0.00 0.00 175.76 178.62