#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl5 s THR 2 N 0.00 4.58 0.12 0.00 -1.32 -1.04 -4.94 115.64 113.05 1hl5 s THR 2 Ca 0.00 1.52 0.10 0.00 -1.21 0.00 0.00 61.69 62.10 1hl5 s THR 2 Cb 0.00 -4.05 -0.04 0.00 -1.51 0.00 0.00 72.50 66.90 1hl5 s THR 2 CO 0.00 0.49 -0.24 -0.54 -2.21 0.00 0.00 174.62 172.12 1hl5 s LYS 3 N -0.83 1.29 0.10 7.08 1.02 -1.26 -2.23 119.74 124.91 1hl5 s LYS 3 Ca 0.34 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 55.08 1hl5 s LYS 3 Cb -0.21 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 1hl5 s LYS 3 CO 0.23 0.40 -0.06 0.00 -0.92 0.00 0.00 175.35 175.00 1hl5 s ALA 4 N -1.10 1.01 -0.00 5.17 0.00 -0.17 -0.98 121.76 125.69 1hl5 s ALA 4 Ca 0.11 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 1hl5 s ALA 4 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1hl5 s ALA 4 CO 0.05 -0.24 0.13 0.54 0.00 0.00 0.00 175.76 176.24 1hl5 s VAL 5 N -3.63 0.07 -0.03 0.00 0.11 -0.15 -0.37 120.40 116.40 1hl5 s VAL 5 Ca 0.13 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1hl5 s VAL 5 Cb 0.05 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1hl5 s VAL 5 CO -0.04 -0.34 0.05 0.00 -3.33 0.00 0.00 175.10 171.44 1hl5 s VAL 7 N 1.70 5.24 -0.13 0.00 1.01 -1.26 -0.30 120.40 126.65 1hl5 s VAL 7 Ca -0.01 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1hl5 s VAL 7 Cb -0.12 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1hl5 s VAL 7 CO -0.03 -0.35 0.62 -0.76 0.00 0.00 0.00 175.10 174.58 1hl5 s LEU 8 N 1.71 4.24 0.03 3.92 1.43 0.31 -4.08 118.68 126.24 1hl5 s LEU 8 Ca 0.05 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1hl5 s LEU 8 Cb -0.19 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1hl5 s LEU 8 CO 0.10 -0.16 0.23 -0.54 0.23 0.00 0.00 176.35 176.21 1hl5 s LYS 9 N 1.22 0.70 0.00 1.70 1.02 -0.17 -1.85 119.74 122.36 1hl5 s LYS 9 Ca 0.31 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1hl5 s LYS 9 Cb -0.16 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1hl5 s LYS 9 CO 0.13 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1hl5 n GLY 10 N 0.77 3.67 0.16 -3.33 0.00 -1.25 -1.14 105.19 104.07 1hl5 n GLY 10 Ca -0.19 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.42 1.61 3.32 -1.92 -3.46 116.42 115.54 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 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 1hl5 n GLY 12 N 0.62 2.34 0.56 2.75 0.00 -1.26 -5.02 105.19 105.19 1hl5 n GLY 12 Ca 0.00 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 1.75 -2.43 1.61 -0.04 -1.26 -4.88 135.00 129.75 1hl5 n PRO 13 Ca 0.00 -1.12 -0.43 0.00 -0.04 0.00 0.00 63.50 61.91 1hl5 n PRO 13 Cb 0.00 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.85 4.27 0.00 0.52 1.01 -1.26 -4.20 120.40 118.90 1hl5 s VAL 14 Ca 0.34 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 1hl5 s VAL 14 Cb 0.19 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1hl5 s VAL 14 CO 0.29 -0.10 0.03 -1.10 0.00 0.00 0.00 175.10 174.21 1hl5 s GLN 15 N 3.19 0.24 0.14 2.72 -0.21 -0.17 -3.80 119.66 121.78 1hl5 s GLN 15 Ca 0.55 -0.33 -0.25 0.00 0.02 0.00 0.00 55.36 55.35 1hl5 s GLN 15 Cb -0.22 0.09 0.07 0.00 1.00 0.00 0.00 33.01 33.95 1hl5 s GLN 15 CO 0.16 -0.04 1.00 0.20 -2.12 0.00 0.00 175.29 174.49 1hl5 s GLY 16 N -0.90 -0.23 -0.03 3.09 0.00 -0.77 0.11 107.32 108.58 1hl5 s GLY 16 Ca -0.10 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1hl5 s GLY 16 CO -0.00 0.14 -0.02 -0.42 0.00 0.00 0.00 173.10 172.79 1hl5 s ILE 17 N -3.13 0.34 -0.05 0.90 1.01 -0.46 -0.53 121.20 119.28 1hl5 s ILE 17 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.79 1hl5 s ILE 17 Cb -0.01 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1hl5 s ILE 17 CO 0.02 0.18 -0.15 -0.63 0.00 0.00 0.00 174.94 174.35 1hl5 s ILE 18 N 0.89 1.29 0.09 2.92 -1.09 0.58 -1.66 121.20 124.23 1hl5 s ILE 18 Ca -0.10 -0.62 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1hl5 s ILE 18 Cb -0.13 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.58 1hl5 s ILE 18 CO -0.01 0.38 0.01 0.20 -1.23 0.00 0.00 174.94 174.29 1hl5 s ASN 19 N 0.22 5.08 -0.03 3.58 -0.87 0.13 -0.17 114.94 122.90 1hl5 s ASN 19 Ca -0.07 -0.16 0.04 0.00 -1.57 0.00 0.00 52.86 51.10 1hl5 s ASN 19 Cb -0.12 -1.23 -0.00 0.00 -0.02 0.00 0.00 41.25 39.87 1hl5 s ASN 19 CO 0.03 0.18 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.23 1hl5 s PHE 20 N -1.32 1.34 -0.05 2.20 0.40 0.50 -1.84 117.98 119.21 1hl5 s PHE 20 Ca 0.26 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1hl5 s PHE 20 Cb -0.12 -0.90 0.04 0.00 0.51 0.00 0.00 43.02 42.55 1hl5 s PHE 20 CO 0.19 -0.09 0.11 -2.00 0.70 0.00 0.00 175.22 174.12 1hl5 s GLU 21 N -0.05 0.02 -0.28 0.44 2.12 -0.10 -1.00 118.70 119.84 1hl5 s GLU 21 Ca -0.00 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.73 1hl5 s GLU 21 Cb -0.09 -0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.10 1hl5 s GLU 21 CO 0.01 -0.23 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.33 1hl5 s GLN 22 N 1.58 1.75 0.23 4.30 0.74 -0.95 -0.44 119.66 126.87 1hl5 s GLN 22 Ca -0.04 -1.41 0.08 0.00 0.05 0.00 0.00 55.36 54.04 1hl5 s GLN 22 Cb -0.12 -2.85 0.20 0.00 1.10 0.00 0.00 33.01 31.34 1hl5 s GLN 22 CO -0.05 -0.72 1.52 0.87 -0.55 0.00 0.00 175.29 176.36 1hl5 h LYS 23 N 7.79 0.07 -5.68 1.67 1.57 -1.85 -2.76 116.57 117.37 1hl5 h LYS 23 Ca -0.14 -0.06 -0.47 0.00 -1.87 0.00 0.00 60.65 58.11 1hl5 h LYS 23 Cb 1.04 0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.16 1hl5 h LYS 23 CO 0.47 0.75 -0.79 -2.00 -0.57 0.00 0.00 179.45 177.31 1hl5 s GLU 24 N -3.45 1.02 0.14 3.15 2.56 -1.26 -4.34 118.70 116.52 1hl5 s GLU 24 Ca -0.02 -1.14 -0.32 0.00 0.00 0.00 0.00 54.97 53.49 1hl5 s GLU 24 Cb 0.12 -1.08 -0.12 0.00 2.00 0.00 0.00 34.13 35.06 1hl5 s GLU 24 CO 0.79 0.23 1.78 0.45 -0.56 0.00 0.00 175.26 177.95 1hl5 n SER 25 N 0.92 3.88 0.00 -1.70 2.88 -1.26 -1.36 113.62 116.99 1hl5 n SER 25 Ca -0.18 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1hl5 n SER 25 Cb 0.55 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1hl5 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hl5 n ASN 26 N 4.99 -3.88 -3.92 -3.46 5.15 -1.26 -4.97 115.26 107.90 1hl5 n ASN 26 Ca 0.18 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.90 1hl5 n ASN 26 Cb 0.35 -2.50 0.17 0.00 -0.53 0.00 0.00 39.78 37.27 1hl5 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hl5 n GLY 27 N -0.54 -0.91 3.78 8.20 0.00 -0.46 -5.02 105.19 110.23 1hl5 n GLY 27 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1hl5 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hl5 s PRO 28 N -5.48 4.11 -0.23 1.61 0.02 -1.26 -4.81 135.00 128.96 1hl5 s PRO 28 Ca 0.67 2.58 -0.08 0.00 0.02 0.00 0.00 61.00 64.20 1hl5 s PRO 28 Cb -0.02 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1hl5 s PRO 28 CO 0.47 -0.55 0.08 0.08 -0.33 0.00 0.00 177.00 176.74 1hl5 s VAL 29 N -0.95 4.54 -0.07 3.83 1.01 0.47 -4.35 120.40 124.88 1hl5 s VAL 29 Ca 0.54 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1hl5 s VAL 29 Cb -0.47 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1hl5 s VAL 29 CO 0.61 0.36 0.82 -0.54 0.00 0.00 0.00 175.10 176.35 1hl5 s LYS 30 N 1.27 4.44 -0.15 2.72 1.02 0.41 -0.40 119.74 129.04 1hl5 s LYS 30 Ca 0.05 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.14 1hl5 s LYS 30 Cb -0.15 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1hl5 s LYS 30 CO 0.04 -0.07 -0.21 0.08 -0.92 0.00 0.00 175.35 174.26 1hl5 s VAL 31 N 1.23 2.08 -0.01 3.17 1.01 0.29 -0.93 120.40 127.24 1hl5 s VAL 31 Ca 0.42 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 1hl5 s VAL 31 Cb -0.18 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.41 1hl5 s VAL 31 CO 0.19 0.55 0.55 -1.66 0.00 0.00 0.00 175.10 174.73 1hl5 s TRP 32 N 0.91 -0.49 -4.59 5.22 -2.14 -0.76 0.13 118.94 117.22 1hl5 s TRP 32 Ca -0.05 0.73 0.00 0.00 2.66 0.00 0.00 56.10 59.44 1hl5 s TRP 32 Cb -0.15 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1hl5 s TRP 32 CO -0.04 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 1hl5 n GLY 33 N 0.80 -0.51 3.02 3.67 0.00 -0.28 0.23 105.19 112.12 1hl5 n GLY 33 Ca -0.19 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.10 -0.04 1.61 0.15 -0.66 -0.62 113.70 110.23 1hl5 s SER 34 Ca 0.00 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1hl5 s SER 34 Cb 0.00 0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1hl5 s SER 34 CO 0.00 -0.28 -0.03 -0.63 1.20 0.00 0.00 173.24 173.50 1hl5 s ILE 35 N -1.18 0.45 0.31 6.45 1.01 -0.53 -1.36 121.20 126.36 1hl5 s ILE 35 Ca -0.13 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.57 1hl5 s ILE 35 Cb -0.07 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 1hl5 s ILE 35 CO 0.00 0.21 -0.12 -1.59 0.00 0.00 0.00 174.94 173.44 1hl5 s LYS 36 N 1.02 1.82 0.00 2.79 -2.85 0.30 -0.18 119.74 122.64 1hl5 s LYS 36 Ca -0.10 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.05 1hl5 s LYS 36 Cb -0.14 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 1hl5 s LYS 36 CO -0.01 0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1hl5 n GLY 37 N -0.75 0.57 3.88 0.59 0.00 -0.95 -0.99 105.19 107.54 1hl5 n GLY 37 Ca -0.05 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 4.18 0.36 0.99 1.43 -0.70 -4.29 118.68 120.65 1hl5 s LEU 38 Ca 0.00 0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 53.65 1hl5 s LEU 38 Cb 0.00 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 1hl5 s LEU 38 CO 0.00 -0.05 1.14 0.42 0.23 0.00 0.00 176.35 178.08 1hl5 s THR 39 N -1.81 3.32 0.27 5.49 -4.23 -1.26 -3.96 115.64 113.46 1hl5 s THR 39 Ca 0.45 1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 61.83 1hl5 s THR 39 Cb -0.11 -3.68 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 1hl5 s THR 39 CO 0.23 0.16 1.31 1.21 -0.54 0.00 0.00 174.62 176.99 1hl5 n GLU 40 N 0.42 1.91 0.00 3.99 2.13 -1.26 -4.58 120.64 123.26 1hl5 n GLU 40 Ca 0.03 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1hl5 n GLU 40 Cb 0.46 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 1.68 -0.22 3.76 8.31 0.00 -0.26 -4.92 105.19 113.54 1hl5 n GLY 41 Ca 0.10 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 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 4.54 -0.04 0.99 1.43 -1.26 -0.90 118.68 123.43 1hl5 s LEU 42 Ca 0.00 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1hl5 s LEU 42 Cb 0.00 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1hl5 s LEU 42 CO 0.00 0.06 0.03 -1.00 0.23 0.00 0.00 176.35 175.67 1hl5 s HIS 43 N -1.33 0.22 0.34 0.29 3.76 -0.83 -2.93 115.29 114.81 1hl5 s HIS 43 Ca 0.44 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 55.20 1hl5 s HIS 43 Cb -0.24 -0.48 -0.13 0.00 1.11 0.00 0.00 32.58 32.84 1hl5 s HIS 43 CO 0.30 -0.19 1.02 0.41 -0.85 0.00 0.00 174.74 175.44 1hl5 n GLY 44 N 4.85 -0.19 2.80 -2.22 0.00 0.48 -1.88 105.19 109.02 1hl5 n GLY 44 Ca -0.13 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.14 1.50 0.04 1.61 5.36 0.20 -0.23 117.98 125.32 1hl5 s PHE 45 Ca 0.60 -1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1hl5 s PHE 45 Cb -0.64 -1.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 1hl5 s PHE 45 CO 0.59 -0.68 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.63 1hl5 s HIS 46 N 1.70 0.45 -0.39 10.12 3.76 -0.42 -2.55 115.29 127.96 1hl5 s HIS 46 Ca -0.02 -0.82 -0.16 0.00 -0.15 0.00 0.00 55.06 53.91 1hl5 s HIS 46 Cb -0.18 -0.32 0.01 0.00 1.11 0.00 0.00 32.58 33.20 1hl5 s HIS 46 CO -0.08 -0.27 0.37 0.08 -0.85 0.00 0.00 174.74 173.98 1hl5 s VAL 47 N -2.80 5.16 0.35 -0.90 1.01 -0.55 0.44 120.40 123.12 1hl5 s VAL 47 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1hl5 s VAL 47 Cb -0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1hl5 s VAL 47 CO -0.06 -0.26 0.60 -1.00 0.00 0.00 0.00 175.10 174.38 1hl5 s HIS 48 N 1.97 3.50 0.15 5.22 3.76 0.38 -1.23 115.29 129.04 1hl5 s HIS 48 Ca 0.10 0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 55.42 1hl5 s HIS 48 Cb -0.17 -2.08 0.04 0.00 1.11 0.00 0.00 32.58 31.48 1hl5 s HIS 48 CO 0.12 0.06 1.69 1.49 -0.85 0.00 0.00 174.74 177.26 1hl5 h GLU 49 N 1.10 0.03 -6.02 1.40 4.81 -0.30 -2.30 114.58 113.29 1hl5 h GLU 49 Ca -0.48 -0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.07 1hl5 h GLU 49 Cb 1.20 -0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 1hl5 h GLU 49 CO 0.64 0.02 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.24 1hl5 s PHE 50 N -6.20 3.11 -0.80 0.92 0.08 -0.26 -4.65 117.98 110.19 1hl5 s PHE 50 Ca -0.14 0.15 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1hl5 s PHE 50 Cb 0.12 -1.77 0.09 0.00 -0.57 0.00 0.00 43.02 40.90 1hl5 s PHE 50 CO 0.70 0.44 2.61 0.41 -0.10 0.00 0.00 175.22 179.28 1hl5 n GLY 51 N 2.13 4.71 3.13 4.36 0.00 -1.02 -3.73 105.19 114.77 1hl5 n GLY 51 Ca -0.18 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 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 0.33 4.47 -0.21 1.61 -1.08 -1.26 -4.93 116.67 115.60 1hl5 s ASP 52 Ca 0.57 -1.22 0.15 0.00 -0.52 0.00 0.00 52.55 51.52 1hl5 s ASP 52 Cb 0.30 -1.61 0.55 0.00 -1.46 0.00 0.00 42.92 40.70 1hl5 s ASP 52 CO -0.17 -0.19 1.46 -3.20 0.52 0.00 0.00 175.17 173.59 1hl5 n ASN 53 N 4.54 3.76 -0.06 -0.34 4.05 -1.26 -3.12 115.26 122.83 1hl5 n ASN 53 Ca -0.15 -3.15 -0.00 0.00 0.45 0.00 0.00 54.58 51.73 1hl5 n ASN 53 Cb 0.44 -0.58 0.28 0.00 1.23 0.00 0.00 39.78 41.16 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1hl5 h THR 54 N 1.76 1.19 -1.36 -0.44 1.35 -1.93 -2.50 112.91 110.96 1hl5 h THR 54 Ca 0.05 -0.62 -0.62 0.00 -0.55 0.00 0.00 66.41 64.67 1hl5 h THR 54 Cb 1.55 0.68 -0.38 0.00 -1.73 0.00 0.00 68.15 68.26 1hl5 h THR 54 CO 0.29 0.24 -0.26 0.00 -0.25 0.00 0.00 175.52 175.53 1hl5 n ALA 55 N -2.47 5.45 -0.97 6.62 0.00 -1.26 -5.05 120.51 122.84 1hl5 n ALA 55 Ca 0.03 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1hl5 n ALA 55 Cb 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.59 1.12 0.26 0.00 0.00 -0.94 -2.47 105.19 102.56 1hl5 n GLY 56 Ca 0.45 -0.60 0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 1.24 0.00 0.00 2.02 -1.81 -2.55 112.91 111.81 1hl5 h THR 58 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1hl5 h THR 58 Cb 0.28 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1hl5 h THR 58 CO 0.00 0.25 0.00 -1.54 0.37 0.00 0.00 175.52 174.60 1hl5 n SER 59 N -4.42 0.23 -0.11 4.18 3.41 -1.16 -3.36 113.62 112.39 1hl5 n SER 59 Ca 0.09 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.85 1hl5 n SER 59 Cb 0.05 -0.11 0.66 0.00 -0.26 0.00 0.00 64.21 64.55 1hl5 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl5 n ALA 60 N -0.38 2.71 -0.61 7.33 0.00 -0.96 -4.26 120.51 124.34 1hl5 n ALA 60 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1hl5 n ALA 60 Cb 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.24 -0.25 0.81 0.00 0.00 -1.21 -1.10 105.19 104.68 1hl5 n GLY 61 Ca 0.16 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.22 -0.22 -2.22 1.61 -0.04 -1.26 -4.62 135.00 128.03 1hl5 n PRO 62 Ca 0.00 -0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 62.62 1hl5 n PRO 62 Cb 0.00 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 1hl5 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hl5 s HIS 63 N -1.53 3.12 0.09 0.54 3.76 -1.26 0.01 115.29 120.01 1hl5 s HIS 63 Ca 0.16 1.51 -0.32 0.00 -0.15 0.00 0.00 55.06 56.26 1hl5 s HIS 63 Cb -0.00 -3.53 -0.11 0.00 1.11 0.00 0.00 32.58 30.05 1hl5 s HIS 63 CO 0.11 -1.50 1.84 0.34 -0.85 0.00 0.00 174.74 174.68 1hl5 n PHE 64 N 0.57 2.55 -2.84 1.40 7.35 -0.37 -4.41 117.46 121.71 1hl5 n PHE 64 Ca 0.01 -0.14 -0.11 0.00 -0.76 0.00 0.00 57.45 56.46 1hl5 n PHE 64 Cb 0.44 -2.72 0.05 0.00 0.35 0.00 0.00 39.48 37.60 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 5.86 -0.54 0.21 -2.13 5.15 -1.26 -2.15 115.26 120.40 1hl5 n ASN 65 Ca 0.19 -3.02 0.18 0.00 -0.60 0.00 0.00 54.58 51.33 1hl5 n ASN 65 Cb 0.36 0.49 0.85 0.00 -0.53 0.00 0.00 39.78 40.95 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 2.78 0.00 -0.56 1.20 0.13 -1.93 -0.13 132.00 133.48 1hl5 h PRO 66 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1hl5 h PRO 66 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1hl5 h PRO 66 CO 0.27 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.32 1hl5 n LEU 67 N -3.61 3.32 -3.88 1.56 4.77 -1.26 -4.97 117.00 112.93 1hl5 n LEU 67 Ca 0.02 -1.60 -0.35 0.00 -0.03 0.00 0.00 56.01 54.04 1hl5 n LEU 67 Cb 0.36 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1hl5 n LEU 67 CO 0.25 0.80 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.76 1hl5 n SER 68 N 1.33 -3.86 -4.82 -1.43 7.64 -0.06 -4.98 113.62 107.44 1hl5 n SER 68 Ca 0.21 -1.12 -0.29 0.00 1.01 0.00 0.00 58.87 58.68 1hl5 n SER 68 Cb 0.54 -2.71 -0.05 0.00 -1.01 0.00 0.00 64.21 60.98 1hl5 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl5 s ARG 69 N -6.60 2.22 0.55 1.43 0.52 -1.26 -5.12 118.95 110.69 1hl5 s ARG 69 Ca 0.39 -2.14 -0.08 0.00 -0.52 0.00 0.00 55.73 53.37 1hl5 s ARG 69 Cb -0.17 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1hl5 s ARG 69 CO 0.91 -0.42 0.90 0.15 0.02 0.00 0.00 175.30 176.85 1hl5 s LYS 70 N -4.05 3.58 0.44 3.54 -0.14 -1.26 -4.68 119.74 117.17 1hl5 s LYS 70 Ca 0.24 0.47 -0.24 0.00 -1.36 0.00 0.00 55.97 55.08 1hl5 s LYS 70 Cb 0.01 -2.24 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1hl5 s LYS 70 CO 0.14 -0.37 1.19 -1.58 -0.76 0.00 0.00 175.35 173.97 1hl5 s HIS 71 N -2.94 2.90 0.00 3.18 5.65 -0.49 -2.98 115.29 120.62 1hl5 s HIS 71 Ca 0.51 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.34 1hl5 s HIS 71 Cb -0.11 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.85 1hl5 s HIS 71 CO 0.49 -1.59 0.00 0.41 -0.65 0.00 0.00 174.74 173.40 1hl5 n GLY 72 N 0.55 2.27 3.96 1.59 0.00 -1.25 -4.34 105.19 107.98 1hl5 n GLY 72 Ca 0.06 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.91 1.70 0.48 -0.02 0.00 -1.22 -4.68 107.32 102.67 1hl5 s GLY 73 Ca 0.00 -1.17 0.26 0.00 0.00 0.00 0.00 44.72 43.81 1hl5 s GLY 73 CO 0.00 -0.94 1.86 -2.55 0.00 0.00 0.00 173.10 171.47 1hl5 h PRO 74 N 0.18 0.17 -0.01 2.90 0.11 -1.85 -2.09 132.00 131.42 1hl5 h PRO 74 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hl5 h PRO 74 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hl5 h PRO 74 CO 0.55 0.11 -0.27 1.63 -0.21 0.00 0.00 178.00 179.81 1hl5 n LYS 75 N -4.38 0.73 -2.73 1.05 5.02 -1.26 -4.94 118.16 111.65 1hl5 n LYS 75 Ca 0.20 -0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 1hl5 n LYS 75 Cb 0.89 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.56 6.84 0.14 4.39 1.01 -0.79 -4.97 116.67 120.74 1hl5 s ASP 76 Ca 0.23 1.63 -0.09 0.00 0.71 0.00 0.00 52.55 55.03 1hl5 s ASP 76 Cb 0.19 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1hl5 s ASP 76 CO 0.54 -0.41 1.42 -0.08 0.21 0.00 0.00 175.17 176.85 1hl5 h GLU 77 N 1.66 0.78 -4.69 8.23 4.81 -1.92 -3.39 114.58 120.06 1hl5 h GLU 77 Ca -0.48 -0.51 -0.71 0.00 -0.13 0.00 0.00 59.36 57.53 1hl5 h GLU 77 Cb 1.18 0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.43 1hl5 h GLU 77 CO 0.61 1.14 -0.03 -2.00 -0.73 0.00 0.00 179.01 178.00 1hl5 s GLU 78 N -4.05 3.06 0.18 1.92 2.56 -1.26 -5.01 118.70 116.11 1hl5 s GLU 78 Ca -0.10 -1.16 -0.21 0.00 0.00 0.00 0.00 54.97 53.50 1hl5 s GLU 78 Cb 0.10 -4.16 0.05 0.00 2.00 0.00 0.00 34.13 32.12 1hl5 s GLU 78 CO 0.88 -1.27 0.59 -0.98 -0.56 0.00 0.00 175.26 173.91 1hl5 s ARG 79 N 2.36 1.36 0.51 4.30 1.70 -1.16 -3.81 118.95 124.22 1hl5 s ARG 79 Ca 0.11 -0.64 -0.17 0.00 -0.47 0.00 0.00 55.73 54.55 1hl5 s ARG 79 Cb -0.22 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1hl5 s ARG 79 CO 0.09 -0.59 0.99 -1.01 -1.08 0.00 0.00 175.30 173.70 1hl5 s HIS 80 N -3.80 3.34 0.42 5.89 3.76 -1.17 -4.68 115.29 119.04 1hl5 s HIS 80 Ca 0.04 1.50 0.08 0.00 -0.15 0.00 0.00 55.06 56.54 1hl5 s HIS 80 Cb -0.01 -2.85 0.89 0.00 1.11 0.00 0.00 32.58 31.71 1hl5 s HIS 80 CO -0.08 -0.48 2.03 0.28 -0.85 0.00 0.00 174.74 175.65 1hl5 h VAL 81 N 1.01 1.11 0.00 -0.90 2.07 -1.87 -2.34 116.25 115.32 1hl5 h VAL 81 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1hl5 h VAL 81 Cb 1.19 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1hl5 h VAL 81 CO 0.61 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1hl5 n GLY 82 N -1.34 -0.83 3.56 2.17 0.00 -0.91 -4.40 105.19 103.45 1hl5 n GLY 82 Ca 0.01 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.01 6.30 0.00 1.61 1.01 -0.88 -1.48 116.67 121.22 1hl5 s ASP 83 Ca 0.39 -1.38 0.21 0.00 0.71 0.00 0.00 52.55 52.48 1hl5 s ASP 83 Cb 0.18 -2.57 0.59 0.00 1.01 0.00 0.00 42.92 42.13 1hl5 s ASP 83 CO 0.30 -1.69 1.50 0.18 0.21 0.00 0.00 175.17 175.67 1hl5 n LEU 84 N 9.68 3.62 0.00 1.23 4.77 -1.06 -3.27 117.00 131.97 1hl5 n LEU 84 Ca 0.35 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1hl5 n LEU 84 Cb 0.50 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1hl5 n LEU 84 CO 0.66 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1hl5 n GLY 85 N 1.58 2.49 3.14 -0.72 0.00 -1.17 -4.76 105.19 105.75 1hl5 n GLY 85 Ca 0.23 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 1.82 0.38 1.61 0.01 -1.26 0.59 114.94 114.08 1hl5 s ASN 86 Ca 0.00 -0.32 0.07 0.00 -0.71 0.00 0.00 52.86 51.91 1hl5 s ASN 86 Cb 0.00 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1hl5 s ASN 86 CO 0.00 0.16 0.52 0.68 -1.51 0.00 0.00 177.10 176.95 1hl5 s VAL 87 N -0.46 3.51 -0.12 1.60 -7.23 -0.79 -4.91 120.40 112.01 1hl5 s VAL 87 Ca 0.05 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1hl5 s VAL 87 Cb -0.06 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1hl5 s VAL 87 CO -0.00 -0.08 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.70 1hl5 s THR 88 N -2.27 1.34 -0.09 5.32 2.01 -1.26 -1.96 115.64 118.73 1hl5 s THR 88 Ca 0.50 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1hl5 s THR 88 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1hl5 s THR 88 CO 0.32 0.42 0.53 0.00 -0.69 0.00 0.00 174.62 175.20 1hl5 s ALA 89 N 1.40 3.46 1.00 7.40 0.00 -0.08 -4.16 121.76 130.78 1hl5 s ALA 89 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1hl5 s ALA 89 Cb -0.13 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1hl5 s ALA 89 CO -0.07 0.02 0.23 -0.40 0.00 0.00 0.00 175.76 175.54 1hl5 n ASP 90 N 3.50 -0.09 0.31 0.00 5.68 -0.53 -1.11 116.55 124.33 1hl5 n ASP 90 Ca -0.06 -1.04 0.21 0.00 -0.50 0.00 0.00 54.79 53.39 1hl5 n ASP 90 Cb 0.51 -0.18 1.01 0.00 -1.14 0.00 0.00 41.12 41.33 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 0.00 -0.00 0.11 2.10 -1.97 -1.54 116.57 115.27 1hl5 h LYS 91 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1hl5 h LYS 91 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1hl5 h LYS 91 CO 0.05 0.00 -0.10 -0.25 -2.00 0.00 0.00 179.45 177.16 1hl5 n ASP 92 N -3.10 0.37 0.00 7.07 8.00 -1.26 -4.88 116.55 122.75 1hl5 n ASP 92 Ca -0.02 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1hl5 n ASP 92 Cb 0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.29 0.54 3.64 0.44 0.00 -0.58 -4.66 105.19 105.85 1hl5 n GLY 93 Ca 0.14 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 4.98 -0.28 1.61 1.01 -1.26 -1.71 120.40 122.75 1hl5 s VAL 94 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1hl5 s VAL 94 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1hl5 s VAL 94 CO 0.00 0.42 0.03 0.00 0.00 0.00 0.00 175.10 175.55 1hl5 s ALA 95 N 0.60 2.92 -0.50 5.51 0.00 0.75 -1.46 121.76 129.59 1hl5 s ALA 95 Ca 0.05 -1.48 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 1hl5 s ALA 95 Cb -0.13 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.06 1hl5 s ALA 95 CO 0.01 -0.91 0.77 -0.51 0.00 0.00 0.00 175.76 175.12 1hl5 s ASP 96 N 1.42 6.33 -0.08 0.00 -0.00 -1.26 -1.45 116.67 121.63 1hl5 s ASP 96 Ca 0.01 -0.43 -0.20 0.00 -0.00 0.00 0.00 52.55 51.93 1hl5 s ASP 96 Cb -0.17 -2.37 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 1hl5 s ASP 96 CO -0.00 -0.99 0.57 -0.69 -0.00 0.00 0.00 175.17 174.06 1hl5 s VAL 97 N 3.27 5.09 -0.27 -1.27 1.01 0.20 -4.88 120.40 123.56 1hl5 s VAL 97 Ca 0.25 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 1hl5 s VAL 97 Cb -0.14 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1hl5 s VAL 97 CO 0.18 0.32 0.39 -0.55 0.00 0.00 0.00 175.10 175.44 1hl5 s SER 98 N 0.53 0.33 0.02 3.32 0.15 -1.25 -1.13 113.70 115.68 1hl5 s SER 98 Ca 0.31 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1hl5 s SER 98 Cb -0.17 1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1hl5 s SER 98 CO 0.14 -0.33 -0.06 -0.63 1.20 0.00 0.00 173.24 173.56 1hl5 s ILE 99 N 2.54 0.44 -0.11 6.45 1.01 0.34 -4.99 121.20 126.88 1hl5 s ILE 99 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1hl5 s ILE 99 Cb -0.14 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.87 1hl5 s ILE 99 CO -0.23 -0.22 -0.18 -0.70 0.00 0.00 0.00 174.94 173.61 1hl5 s GLU 100 N -1.05 2.47 -0.01 2.79 2.12 -1.26 0.11 118.70 123.87 1hl5 s GLU 100 Ca -0.06 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1hl5 s GLU 100 Cb -0.07 -2.03 -0.00 0.00 0.26 0.00 0.00 34.13 32.29 1hl5 s GLU 100 CO 0.00 -0.01 -0.07 0.34 -0.54 0.00 0.00 175.26 174.99 1hl5 s ASP 101 N 0.82 0.83 0.00 -1.70 2.15 0.46 -4.93 116.67 114.31 1hl5 s ASP 101 Ca -0.09 -0.13 0.09 0.00 0.43 0.00 0.00 52.55 52.85 1hl5 s ASP 101 Cb -0.16 -0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.40 1hl5 s ASP 101 CO 0.00 0.07 0.77 -1.20 -0.17 0.00 0.00 175.17 174.65 1hl5 n SER 102 N 3.03 1.72 -0.04 -0.34 7.64 -1.26 0.18 113.62 124.55 1hl5 n SER 102 Ca -0.15 -1.36 -0.21 0.00 1.01 0.00 0.00 58.87 58.16 1hl5 n SER 102 Cb 0.57 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.66 1hl5 n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1hl5 h VAL 103 N 1.72 0.91 -4.32 0.44 2.07 -1.92 -3.46 116.25 111.70 1hl5 h VAL 103 Ca 0.00 -2.29 -0.51 0.00 0.82 0.00 0.00 66.70 64.72 1hl5 h VAL 103 Cb 0.37 2.48 0.13 0.00 -1.52 0.00 0.00 31.29 32.75 1hl5 h VAL 103 CO 0.00 0.58 0.33 0.27 0.02 0.00 0.00 177.57 178.77 1hl5 s ILE 104 N -2.44 3.43 0.26 4.57 -4.36 -1.26 -4.86 121.20 116.54 1hl5 s ILE 104 Ca -0.24 0.47 -0.11 0.00 -0.26 0.00 0.00 60.65 60.50 1hl5 s ILE 104 Cb 0.05 -2.99 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 1hl5 s ILE 104 CO 0.69 -0.61 0.46 -0.55 0.24 0.00 0.00 174.94 175.17 1hl5 s SER 105 N -3.46 0.04 -0.00 4.36 0.15 -0.90 -4.63 113.70 109.25 1hl5 s SER 105 Ca 0.61 -1.03 0.11 0.00 0.70 0.00 0.00 55.95 56.34 1hl5 s SER 105 Cb -0.17 0.58 0.32 0.00 -1.71 0.00 0.00 66.02 65.05 1hl5 s SER 105 CO 0.56 -1.15 1.27 0.18 1.20 0.00 0.00 173.24 175.30 1hl5 n LEU 106 N -0.40 2.98 -3.57 3.45 4.77 -1.26 -2.30 117.00 120.67 1hl5 n LEU 106 Ca -0.01 -2.03 -0.10 0.00 -0.03 0.00 0.00 56.01 53.84 1hl5 n LEU 106 Cb 0.62 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1hl5 n LEU 106 CO 0.24 0.74 0.42 -0.94 -1.33 0.00 0.00 177.39 176.51 1hl5 s SER 107 N -1.02 -0.46 0.00 -1.43 1.04 -1.26 -4.83 113.70 105.73 1hl5 s SER 107 Ca 0.24 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1hl5 s SER 107 Cb 0.13 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1hl5 s SER 107 CO 0.16 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1hl5 n GLY 108 N -0.40 -1.59 0.32 7.32 0.00 -1.26 -3.89 105.19 105.69 1hl5 n GLY 108 Ca -0.13 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1hl5 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl5 h ASP 109 N 0.00 0.46 -0.76 1.61 3.45 -2.01 -2.73 116.42 116.44 1hl5 h ASP 109 Ca 0.00 -0.01 -0.25 0.00 0.43 0.00 0.00 57.03 57.20 1hl5 h ASP 109 Cb 0.00 -0.11 -0.15 0.00 -0.56 0.00 0.00 39.33 38.51 1hl5 h ASP 109 CO 0.00 0.33 0.31 1.41 -1.57 0.00 0.00 179.24 179.72 1hl5 n HIS 110 N -4.47 2.50 -2.09 4.55 8.25 -1.26 -4.98 115.22 117.72 1hl5 n HIS 110 Ca 0.04 -1.25 -0.42 0.00 -0.26 0.00 0.00 57.72 55.84 1hl5 n HIS 110 Cb 0.11 -0.71 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 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 4.05 0.01 -1.87 0.00 -5.35 -0.97 -4.93 119.36 110.30 1hl5 n ILE 112 Ca 0.13 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1hl5 n ILE 112 Cb 0.41 1.32 -0.02 0.00 -1.74 0.00 0.00 39.64 39.61 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 -1.31 2.29 0.00 7.28 -1.09 -1.26 -1.56 121.20 125.55 1hl5 s ILE 113 Ca 0.19 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1hl5 s ILE 113 Cb 0.13 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1hl5 s ILE 113 CO 0.20 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1hl5 n GLY 114 N 2.19 0.81 0.00 6.18 0.00 0.17 -4.99 105.19 109.56 1hl5 n GLY 114 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.28 1.55 -4.77 1.61 1.74 -0.60 -2.44 116.66 111.46 1hl5 n ARG 115 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1hl5 n ARG 115 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 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 1.06 1.63 -0.15 0.55 2.01 -0.87 -0.55 115.64 119.33 1hl5 s THR 116 Ca 0.00 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1hl5 s THR 116 Cb 0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1hl5 s THR 116 CO 0.00 0.47 0.42 -0.22 -0.69 0.00 0.00 174.62 174.60 1hl5 s LEU 117 N 0.66 4.23 -0.03 4.42 2.96 -0.66 0.14 118.68 130.40 1hl5 s LEU 117 Ca -0.13 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1hl5 s LEU 117 Cb -0.16 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1hl5 s LEU 117 CO 0.03 -0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.18 1hl5 s VAL 118 N 0.83 1.52 -0.12 1.68 1.01 0.17 -2.40 120.40 123.08 1hl5 s VAL 118 Ca 0.22 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1hl5 s VAL 118 Cb -0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1hl5 s VAL 118 CO 0.08 0.43 -0.09 0.54 0.00 0.00 0.00 175.10 176.07 1hl5 s VAL 119 N -0.18 3.48 0.32 2.92 0.11 -0.54 -1.30 120.40 125.22 1hl5 s VAL 119 Ca 0.01 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 1hl5 s VAL 119 Cb -0.10 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1hl5 s VAL 119 CO 0.01 0.53 0.46 -1.00 -3.33 0.00 0.00 175.10 171.78 1hl5 s HIS 120 N 0.04 3.20 0.21 1.54 3.76 0.68 -1.03 115.29 123.68 1hl5 s HIS 120 Ca -0.02 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 1hl5 s HIS 120 Cb -0.14 -1.93 0.16 0.00 1.11 0.00 0.00 32.58 31.78 1hl5 s HIS 120 CO 0.03 0.06 1.84 1.49 -0.85 0.00 0.00 174.74 177.31 1hl5 h GLU 121 N 0.91 1.07 -5.29 1.40 4.81 -0.57 -3.38 114.58 113.53 1hl5 h GLU 121 Ca -0.47 -0.11 -0.58 0.00 -0.13 0.00 0.00 59.36 58.06 1hl5 h GLU 121 Cb 1.25 -0.22 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 1hl5 h GLU 121 CO 0.55 0.78 -0.56 0.15 -0.73 0.00 0.00 179.01 179.19 1hl5 s LYS 122 N -5.90 1.93 0.35 1.92 1.02 0.11 -4.90 119.74 114.27 1hl5 s LYS 122 Ca -0.13 -2.15 -0.28 0.00 0.02 0.00 0.00 55.97 53.44 1hl5 s LYS 122 Cb 0.15 -1.19 -0.10 0.00 -0.52 0.00 0.00 37.83 36.18 1hl5 s LYS 122 CO 0.80 -0.26 1.28 0.00 -0.92 0.00 0.00 175.35 176.26 1hl5 s ALA 123 N -3.02 3.40 -0.07 5.17 0.00 -1.15 -0.39 121.76 125.71 1hl5 s ALA 123 Ca 0.26 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 1hl5 s ALA 123 Cb 0.06 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1hl5 s ALA 123 CO 0.13 -0.66 0.91 0.34 0.00 0.00 0.00 175.76 176.48 1hl5 s ASP 124 N -0.62 7.19 0.00 0.00 -1.08 -1.26 -3.82 116.67 117.08 1hl5 s ASP 124 Ca 0.51 1.45 0.11 0.00 -0.52 0.00 0.00 52.55 54.10 1hl5 s ASP 124 Cb -0.38 -2.52 0.43 0.00 -1.46 0.00 0.00 42.92 39.00 1hl5 s ASP 124 CO 0.50 -0.30 1.31 -0.90 0.52 0.00 0.00 175.17 176.30 1hl5 n ASP 125 N 4.37 0.97 -1.99 -0.34 5.68 0.10 -4.90 116.55 120.45 1hl5 n ASP 125 Ca 0.05 -1.85 -0.20 0.00 -0.50 0.00 0.00 54.79 52.29 1hl5 n ASP 125 Cb 0.50 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.33 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 -0.03 -1.64 0.00 -2.12 4.77 -1.26 -2.37 117.00 114.34 1hl5 n LEU 126 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1hl5 n LEU 126 Cb 0.18 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1hl5 n LEU 126 CO 0.07 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 1hl5 n GLY 127 N -0.68 0.76 1.43 -0.72 0.00 -1.26 -3.41 105.19 101.32 1hl5 n GLY 127 Ca -0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1hl5 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hl5 n LYS 128 N -2.31 3.98 0.00 1.61 5.02 -1.00 -4.63 118.16 120.84 1hl5 n LYS 128 Ca 0.00 -3.02 0.09 0.00 -2.02 0.00 0.00 58.31 53.36 1hl5 n LYS 128 Cb 0.00 -2.07 0.45 0.00 -0.02 0.00 0.00 35.03 33.39 1hl5 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hl5 n GLY 129 N 0.08 -1.01 2.82 0.72 0.00 -1.26 -4.91 105.19 101.64 1hl5 n GLY 129 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.38 1.85 3.33 -0.02 0.00 -1.26 -4.96 105.19 104.50 1hl5 n GLY 130 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.42 2.20 0.18 1.61 2.20 -1.26 -5.06 114.94 111.39 1hl5 s ASN 131 Ca 0.00 -1.09 -0.20 0.00 -0.94 0.00 0.00 52.86 50.62 1hl5 s ASN 131 Cb 0.00 -0.07 0.10 0.00 -2.00 0.00 0.00 41.25 39.29 1hl5 s ASN 131 CO 0.00 -0.33 1.61 -0.33 -2.94 0.00 0.00 177.10 175.11 1hl5 h GLU 132 N 2.56 -0.17 -0.99 3.55 4.39 -2.01 -1.73 114.58 120.17 1hl5 h GLU 132 Ca -0.38 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.54 1hl5 h GLU 132 Cb 1.21 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.80 1hl5 h GLU 132 CO 0.64 -0.11 0.62 1.49 -1.16 0.00 0.00 179.01 180.48 1hl5 h GLU 133 N -0.18 0.62 -0.98 2.33 4.57 -1.99 0.79 114.58 119.75 1hl5 h GLU 133 Ca 0.21 -0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.52 1hl5 h GLU 133 Cb 0.51 -0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 28.86 1hl5 h GLU 133 CO -0.56 0.41 0.58 1.03 -1.18 0.00 0.00 179.01 179.29 1hl5 h SER 134 N 0.64 0.77 0.21 1.04 0.87 -1.66 0.78 113.55 116.21 1hl5 h SER 134 Ca 0.57 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 1hl5 h SER 134 Cb 1.05 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1hl5 h SER 134 CO -0.34 0.31 0.00 0.35 -0.53 0.00 0.00 176.83 176.62 1hl5 n THR 135 N -4.75 0.10 -0.05 2.23 -2.24 0.27 -1.89 114.28 107.95 1hl5 n THR 135 Ca 0.21 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1hl5 n THR 135 Cb 0.50 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1hl5 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hl5 n LYS 136 N -1.13 0.24 0.00 -0.78 5.02 0.09 -1.39 118.16 120.21 1hl5 n LYS 136 Ca 0.16 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1hl5 n LYS 136 Cb 0.14 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1hl5 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hl5 n THR 137 N -3.17 0.00 -1.00 -0.18 -2.24 -0.19 -4.73 114.28 102.78 1hl5 n THR 137 Ca -0.19 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1hl5 n THR 137 Cb 0.67 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 0.61 0.40 2.76 3.38 0.00 -0.79 -3.64 105.19 107.92 1hl5 n GLY 138 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.21 -5.87 0.00 1.61 3.02 -1.26 0.02 115.26 112.56 1hl5 n ASN 139 Ca 0.00 -0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.52 1hl5 n ASN 139 Cb 0.11 -4.81 0.71 0.00 -0.61 0.00 0.00 39.78 35.17 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 -2.89 2.39 -0.19 5.41 0.00 -1.24 -4.73 120.51 119.26 1hl5 n ALA 140 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1hl5 n ALA 140 Cb 0.64 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.02 -0.68 3.31 0.00 0.00 -1.26 0.09 105.19 107.66 1hl5 n GLY 141 Ca 0.14 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1hl5 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hl5 n SER 142 N -0.24 -2.93 -4.36 1.61 7.64 -1.26 -4.52 113.62 109.56 1hl5 n SER 142 Ca 0.00 0.56 -0.45 0.00 1.01 0.00 0.00 58.87 59.99 1hl5 n SER 142 Cb 0.00 -1.00 -0.04 0.00 -1.01 0.00 0.00 64.21 62.16 1hl5 n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl5 s ARG 143 N -1.90 3.14 0.22 1.43 0.52 -1.26 -0.28 118.95 120.82 1hl5 s ARG 143 Ca 0.58 -1.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.25 1hl5 s ARG 143 Cb -0.39 -4.34 0.20 0.00 0.52 0.00 0.00 34.95 30.94 1hl5 s ARG 143 CO 0.65 -1.49 1.54 -0.07 0.02 0.00 0.00 175.30 175.94 1hl5 h LEU 144 N 9.54 0.37 -7.00 2.53 3.38 -1.38 -3.47 115.31 119.29 1hl5 h LEU 144 Ca -0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1hl5 h LEU 144 Cb 1.08 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1hl5 h LEU 144 CO 1.05 0.89 0.26 0.00 0.09 0.00 0.00 178.44 180.73 1hl5 s ALA 145 N -3.80 -1.70 0.35 1.53 0.00 -1.18 -4.18 121.76 112.77 1hl5 s ALA 145 Ca -0.05 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1hl5 s ALA 145 Cb 0.12 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.76 1hl5 s ALA 145 CO 0.81 -0.62 0.72 0.00 0.00 0.00 0.00 175.76 176.67 1hl5 s GLY 147 N -3.05 -0.14 0.18 0.00 0.00 -1.01 -1.00 107.32 102.31 1hl5 s GLY 147 Ca 0.17 2.20 -0.30 0.00 0.00 0.00 0.00 44.72 46.79 1hl5 s GLY 147 CO 0.11 0.89 0.97 0.14 0.00 0.00 0.00 173.10 175.22 1hl5 s VAL 148 N -1.52 4.21 -0.30 1.40 1.01 -1.26 -1.66 120.40 122.28 1hl5 s VAL 148 Ca 0.06 2.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.78 1hl5 s VAL 148 Cb -0.01 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1hl5 s VAL 148 CO -0.04 0.40 1.01 -0.63 0.00 0.00 0.00 175.10 175.83 1hl5 s ILE 149 N -0.61 4.60 0.33 2.22 1.01 0.29 -4.58 121.20 124.47 1hl5 s ILE 149 Ca 0.44 1.65 0.10 0.00 0.00 0.00 0.00 60.65 62.85 1hl5 s ILE 149 Cb -0.25 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 37.81 1hl5 s ILE 149 CO 0.32 -0.39 -0.10 -0.83 0.00 0.00 0.00 174.94 173.94 1hl5 s GLY 150 N 1.58 2.14 0.33 6.18 0.00 -0.71 0.46 107.32 117.31 1hl5 s GLY 150 Ca 0.42 -2.05 -0.29 0.00 0.00 0.00 0.00 44.72 42.81 1hl5 s GLY 150 CO 0.13 -2.01 1.31 -0.42 0.00 0.00 0.00 173.10 172.11 1hl5 s ILE 151 N -2.58 2.70 0.18 0.90 1.01 -1.26 -0.98 121.20 121.17 1hl5 s ILE 151 Ca 0.32 0.70 0.10 0.00 0.00 0.00 0.00 60.65 61.78 1hl5 s ILE 151 Cb 0.01 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1hl5 s ILE 151 CO 0.17 0.17 -0.19 0.00 0.00 0.00 0.00 174.94 175.08 1hl5 s ALA 152 N -1.14 2.66 -2.00 9.38 0.00 -0.16 -4.71 121.76 125.79 1hl5 s ALA 152 Ca 0.49 -1.56 0.20 0.00 0.00 0.00 0.00 51.96 51.09 1hl5 s ALA 152 Cb -0.40 -0.48 1.21 0.00 0.00 0.00 0.00 23.12 23.45 1hl5 s ALA 152 CO 0.53 0.46 1.60 0.94 0.00 0.00 0.00 175.76 179.29