#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 4.91 0.06 0.00 -1.32 -0.60 -4.92 115.64 113.76 1hl5 s THR 2 Ca 0.00 0.91 0.06 0.00 -1.21 0.00 0.00 61.69 61.45 1hl5 s THR 2 Cb 0.00 -3.77 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1hl5 s THR 2 CO 0.00 0.46 -0.18 -0.54 -2.21 0.00 0.00 174.62 172.16 1hl5 s LYS 3 N -1.39 1.11 0.15 7.08 1.02 -1.26 -0.93 119.74 125.51 1hl5 s LYS 3 Ca 0.30 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1hl5 s LYS 3 Cb -0.17 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1hl5 s LYS 3 CO 0.17 0.29 0.09 0.00 -0.92 0.00 0.00 175.35 174.98 1hl5 s ALA 4 N -0.94 0.90 0.02 5.17 0.00 -0.24 -1.81 121.76 124.87 1hl5 s ALA 4 Ca 0.04 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1hl5 s ALA 4 Cb -0.09 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1hl5 s ALA 4 CO 0.02 -0.52 0.36 0.54 0.00 0.00 0.00 175.76 176.16 1hl5 s VAL 5 N -4.07 0.06 -0.08 0.00 0.11 0.01 -0.50 120.40 115.93 1hl5 s VAL 5 Ca 0.28 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1hl5 s VAL 5 Cb 0.07 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1hl5 s VAL 5 CO 0.04 -0.28 0.18 0.00 -3.33 0.00 0.00 175.10 171.71 1hl5 s VAL 7 N 1.28 4.93 -0.12 0.00 1.01 -1.26 -0.88 120.40 125.36 1hl5 s VAL 7 Ca -0.08 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1hl5 s VAL 7 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1hl5 s VAL 7 CO -0.07 0.08 0.49 -0.76 0.00 0.00 0.00 175.10 174.83 1hl5 s LEU 8 N 1.67 4.27 0.06 3.92 1.43 0.85 -4.04 118.68 126.84 1hl5 s LEU 8 Ca 0.06 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 53.91 1hl5 s LEU 8 Cb -0.17 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1hl5 s LEU 8 CO 0.08 -0.02 0.10 -0.54 0.23 0.00 0.00 176.35 176.21 1hl5 s LYS 9 N 0.70 0.68 0.00 1.70 1.02 -0.60 -1.75 119.74 121.49 1hl5 s LYS 9 Ca 0.26 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1hl5 s LYS 9 Cb -0.15 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1hl5 s LYS 9 CO 0.10 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1hl5 n GLY 10 N 0.33 3.81 0.15 -3.33 0.00 -1.25 -0.83 105.19 104.07 1hl5 n GLY 10 Ca -0.16 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.32 1.61 3.32 -1.92 -3.46 116.42 115.65 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 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 1hl5 n GLY 12 N 1.13 1.80 0.63 2.75 0.00 -1.26 -5.03 105.19 105.21 1hl5 n GLY 12 Ca 0.02 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 1.86 -2.44 1.61 -0.04 -1.26 -4.91 135.00 129.82 1hl5 n PRO 13 Ca 0.00 -1.26 -0.42 0.00 -0.04 0.00 0.00 63.50 61.77 1hl5 n PRO 13 Cb 0.00 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.89 4.21 -0.04 0.52 1.01 -1.26 -4.33 120.40 118.62 1hl5 s VAL 14 Ca 0.35 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.77 1hl5 s VAL 14 Cb 0.20 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1hl5 s VAL 14 CO 0.30 -0.01 0.22 -1.10 0.00 0.00 0.00 175.10 174.52 1hl5 s GLN 15 N 2.30 0.43 0.12 2.72 -0.21 -0.91 -3.77 119.66 120.34 1hl5 s GLN 15 Ca 0.56 -0.03 -0.25 0.00 0.02 0.00 0.00 55.36 55.66 1hl5 s GLN 15 Cb -0.25 0.19 0.08 0.00 1.00 0.00 0.00 33.01 34.03 1hl5 s GLN 15 CO 0.22 -0.09 1.08 0.20 -2.12 0.00 0.00 175.29 174.57 1hl5 s GLY 16 N -0.71 -0.15 -0.06 3.09 0.00 -0.72 -0.25 107.32 108.54 1hl5 s GLY 16 Ca -0.08 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1hl5 s GLY 16 CO 0.02 1.24 -0.04 -0.42 0.00 0.00 0.00 173.10 173.90 1hl5 s ILE 17 N -2.64 0.60 -0.07 0.90 1.01 -0.86 -0.10 121.20 120.04 1hl5 s ILE 17 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1hl5 s ILE 17 Cb -0.00 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1hl5 s ILE 17 CO 0.02 0.26 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 1hl5 s ILE 18 N 1.19 1.52 0.06 2.92 -1.09 -0.06 -2.13 121.20 123.61 1hl5 s ILE 18 Ca -0.07 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1hl5 s ILE 18 Cb -0.14 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1hl5 s ILE 18 CO -0.01 0.44 0.10 0.20 -1.23 0.00 0.00 174.94 174.44 1hl5 s ASN 19 N 0.41 5.71 0.01 3.58 -0.87 0.12 -0.60 114.94 123.30 1hl5 s ASN 19 Ca -0.13 0.07 0.05 0.00 -1.57 0.00 0.00 52.86 51.27 1hl5 s ASN 19 Cb -0.16 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.25 39.46 1hl5 s ASN 19 CO 0.05 0.19 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.27 1hl5 s PHE 20 N -1.38 1.23 -0.10 2.20 0.40 0.34 -1.26 117.98 119.42 1hl5 s PHE 20 Ca 0.29 -0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1hl5 s PHE 20 Cb -0.12 -0.76 0.04 0.00 0.51 0.00 0.00 43.02 42.69 1hl5 s PHE 20 CO 0.22 0.01 0.23 -2.00 0.70 0.00 0.00 175.22 174.38 1hl5 s GLU 21 N -0.69 0.20 -0.28 0.44 2.12 -0.34 -1.08 118.70 119.07 1hl5 s GLU 21 Ca 0.04 0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.86 1hl5 s GLU 21 Cb -0.06 -0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.32 1hl5 s GLU 21 CO 0.00 -0.14 0.03 -1.14 -0.54 0.00 0.00 175.26 173.47 1hl5 s GLN 22 N 1.09 1.22 0.24 4.30 0.74 -0.11 -0.87 119.66 126.27 1hl5 s GLN 22 Ca -0.08 -1.19 0.04 0.00 0.05 0.00 0.00 55.36 54.18 1hl5 s GLN 22 Cb -0.09 -2.50 0.26 0.00 1.10 0.00 0.00 33.01 31.77 1hl5 s GLN 22 CO -0.07 -0.81 1.57 0.87 -0.55 0.00 0.00 175.29 176.30 1hl5 h LYS 23 N 7.94 0.27 -5.89 1.67 1.57 -1.84 -1.60 116.57 118.68 1hl5 h LYS 23 Ca -0.13 -0.18 -0.54 0.00 -1.87 0.00 0.00 60.65 57.93 1hl5 h LYS 23 Cb 1.04 0.02 -0.25 0.00 0.08 0.00 0.00 32.23 33.13 1hl5 h LYS 23 CO 0.45 0.77 -0.83 -2.00 -0.57 0.00 0.00 179.45 177.28 1hl5 s GLU 24 N -3.83 1.23 0.07 3.15 2.56 -1.26 -4.40 118.70 116.22 1hl5 s GLU 24 Ca -0.04 -0.92 -0.36 0.00 0.00 0.00 0.00 54.97 53.64 1hl5 s GLU 24 Cb 0.12 -1.34 -0.15 0.00 2.00 0.00 0.00 34.13 34.76 1hl5 s GLU 24 CO 0.80 0.34 1.50 0.45 -0.56 0.00 0.00 175.26 177.78 1hl5 n SER 25 N 1.75 2.36 0.00 -1.70 2.88 -1.26 -0.23 113.62 117.43 1hl5 n SER 25 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1hl5 n SER 25 Cb 0.54 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 3.38 -3.59 -3.40 -3.46 5.15 -1.26 -4.97 115.26 107.12 1hl5 n ASN 26 Ca 0.19 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.98 1hl5 n ASN 26 Cb 0.23 -2.68 0.13 0.00 -0.53 0.00 0.00 39.78 36.92 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 -0.48 -0.95 3.71 8.20 0.00 0.68 -5.01 105.19 111.34 1hl5 n GLY 27 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.79 2.04 -4.09 1.61 -0.02 -1.26 -4.79 135.00 125.70 1hl5 n PRO 28 Ca 0.11 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 1hl5 n PRO 28 Cb 0.40 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.17 3.94 0.05 -1.45 1.01 0.73 -4.26 120.40 119.24 1hl5 s VAL 29 Ca 0.59 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 1hl5 s VAL 29 Cb -0.52 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1hl5 s VAL 29 CO 0.59 0.43 0.69 -0.54 0.00 0.00 0.00 175.10 176.28 1hl5 s LYS 30 N 0.97 4.42 -0.14 2.72 1.02 -0.05 -1.03 119.74 127.65 1hl5 s LYS 30 Ca 0.01 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1hl5 s LYS 30 Cb -0.14 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1hl5 s LYS 30 CO 0.02 0.38 -0.11 0.08 -0.92 0.00 0.00 175.35 174.80 1hl5 s VAL 31 N -0.33 1.34 0.03 3.17 1.01 0.24 -1.20 120.40 124.66 1hl5 s VAL 31 Ca 0.35 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1hl5 s VAL 31 Cb -0.20 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.91 1hl5 s VAL 31 CO 0.21 0.39 0.50 -1.66 0.00 0.00 0.00 175.10 174.54 1hl5 s TRP 32 N 1.57 -0.40 -4.01 5.22 -2.14 -0.38 -0.65 118.94 118.14 1hl5 s TRP 32 Ca 0.04 0.50 0.00 0.00 2.66 0.00 0.00 56.10 59.31 1hl5 s TRP 32 Cb -0.13 0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.54 1hl5 s TRP 32 CO -0.09 -0.60 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 1hl5 n GLY 33 N 0.59 -0.54 3.00 3.67 0.00 -0.55 0.12 105.19 111.48 1hl5 n GLY 33 Ca -0.19 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 0.05 -0.03 1.61 0.15 -0.91 -0.44 113.70 110.13 1hl5 s SER 34 Ca 0.00 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1hl5 s SER 34 Cb 0.00 0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1hl5 s SER 34 CO 0.00 -0.21 -0.13 -0.63 1.20 0.00 0.00 173.24 173.47 1hl5 s ILE 35 N -0.82 1.10 0.41 6.45 1.01 -0.10 -2.03 121.20 127.23 1hl5 s ILE 35 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1hl5 s ILE 35 Cb -0.05 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.39 1hl5 s ILE 35 CO 0.00 0.33 0.02 -1.59 0.00 0.00 0.00 174.94 173.69 1hl5 s LYS 36 N 0.06 1.95 0.00 2.79 -2.85 0.66 -0.46 119.74 121.89 1hl5 s LYS 36 Ca -0.02 -2.12 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1hl5 s LYS 36 Cb -0.09 -1.53 0.00 0.00 -2.06 0.00 0.00 37.83 34.14 1hl5 s LYS 36 CO 0.01 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.77 1hl5 n GLY 37 N -0.97 0.61 3.90 0.59 0.00 -1.05 -2.15 105.19 106.11 1hl5 n GLY 37 Ca -0.06 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 4.26 0.50 0.99 1.43 -0.88 -4.34 118.68 120.63 1hl5 s LEU 38 Ca 0.00 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 1hl5 s LEU 38 Cb 0.00 -3.35 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 1hl5 s LEU 38 CO 0.00 0.04 1.17 0.42 0.23 0.00 0.00 176.35 178.21 1hl5 s THR 39 N -1.68 3.02 0.33 5.49 -4.23 -1.26 -4.02 115.64 113.29 1hl5 s THR 39 Ca 0.42 0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 61.36 1hl5 s THR 39 Cb -0.12 -3.34 -0.12 0.00 1.34 0.00 0.00 72.50 70.26 1hl5 s THR 39 CO 0.24 -0.06 1.34 1.21 -0.54 0.00 0.00 174.62 176.82 1hl5 n GLU 40 N -0.83 2.20 0.00 3.99 2.13 -1.26 -4.62 120.64 122.26 1hl5 n GLU 40 Ca 0.09 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1hl5 n GLU 40 Cb 0.49 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 0.96 -0.62 3.76 8.31 0.00 -0.37 -4.91 105.19 112.31 1hl5 n GLY 41 Ca 0.05 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 4.58 -0.05 0.99 1.43 -1.26 -1.33 118.68 123.03 1hl5 s LEU 42 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1hl5 s LEU 42 Cb 0.00 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1hl5 s LEU 42 CO 0.00 0.14 -0.02 -1.00 0.23 0.00 0.00 176.35 175.70 1hl5 s HIS 43 N -0.86 0.64 0.50 0.29 3.76 -0.25 -2.48 115.29 116.89 1hl5 s HIS 43 Ca 0.39 -0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 1hl5 s HIS 43 Cb -0.23 -0.66 -0.07 0.00 1.11 0.00 0.00 32.58 32.72 1hl5 s HIS 43 CO 0.27 -0.22 1.11 0.41 -0.85 0.00 0.00 174.74 175.46 1hl5 n GLY 44 N 4.42 0.07 2.80 -2.22 0.00 -0.25 -1.18 105.19 108.83 1hl5 n GLY 44 Ca -0.19 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.34 -0.49 0.03 1.61 5.36 -0.15 -0.65 117.98 122.35 1hl5 s PHE 45 Ca 0.68 0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1hl5 s PHE 45 Cb -0.47 -0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 41.92 1hl5 s PHE 45 CO 0.52 -0.71 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.54 1hl5 s HIS 46 N 2.40 0.37 -0.25 10.12 3.76 -0.78 -2.84 115.29 128.07 1hl5 s HIS 46 Ca 0.09 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.13 1hl5 s HIS 46 Cb -0.15 -0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 1hl5 s HIS 46 CO -0.17 -0.24 0.45 0.08 -0.85 0.00 0.00 174.74 174.00 1hl5 s VAL 47 N -2.25 5.12 0.29 -0.90 1.01 -0.29 -0.83 120.40 122.55 1hl5 s VAL 47 Ca -0.08 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1hl5 s VAL 47 Cb -0.04 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1hl5 s VAL 47 CO -0.04 0.13 0.47 -1.00 0.00 0.00 0.00 175.10 174.67 1hl5 s HIS 48 N 2.07 3.48 0.11 5.22 3.76 0.14 -0.74 115.29 129.33 1hl5 s HIS 48 Ca 0.19 0.25 -0.25 0.00 -0.15 0.00 0.00 55.06 55.10 1hl5 s HIS 48 Cb -0.16 -1.80 -0.09 0.00 1.11 0.00 0.00 32.58 31.64 1hl5 s HIS 48 CO 0.09 0.25 1.68 1.49 -0.85 0.00 0.00 174.74 177.40 1hl5 h GLU 49 N 1.09 -0.28 -5.84 1.40 4.81 -0.65 -2.74 114.58 112.38 1hl5 h GLU 49 Ca -0.50 0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.07 1hl5 h GLU 49 Cb 1.22 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 1hl5 h GLU 49 CO 0.62 -0.19 -0.56 -0.06 -0.73 0.00 0.00 179.01 178.09 1hl5 s PHE 50 N -6.13 3.34 -0.62 0.92 0.08 -0.16 -4.62 117.98 110.79 1hl5 s PHE 50 Ca -0.15 0.33 -0.05 0.00 0.12 0.00 0.00 56.93 57.19 1hl5 s PHE 50 Cb 0.08 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1hl5 s PHE 50 CO 0.66 0.58 2.92 0.41 -0.10 0.00 0.00 175.22 179.69 1hl5 n GLY 51 N 2.07 4.19 3.10 4.36 0.00 -0.97 -3.67 105.19 114.27 1hl5 n GLY 51 Ca -0.19 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 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 0.91 4.21 -0.20 1.61 -1.08 -1.26 -4.96 116.67 115.89 1hl5 s ASP 52 Ca 0.61 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.61 1hl5 s ASP 52 Cb 0.31 -1.56 0.52 0.00 -1.46 0.00 0.00 42.92 40.73 1hl5 s ASP 52 CO -0.13 -0.15 1.42 -3.20 0.52 0.00 0.00 175.17 173.63 1hl5 n ASN 53 N 4.51 3.59 0.19 -0.34 4.05 -1.26 -2.54 115.26 123.45 1hl5 n ASN 53 Ca -0.16 -3.15 0.03 0.00 0.45 0.00 0.00 54.58 51.75 1hl5 n ASN 53 Cb 0.44 -0.56 0.41 0.00 1.23 0.00 0.00 39.78 41.30 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 1.58 1.21 -0.83 -0.44 1.35 -1.93 -2.54 112.91 111.31 1hl5 h THR 54 Ca 0.05 -1.01 -0.57 0.00 -0.55 0.00 0.00 66.41 64.33 1hl5 h THR 54 Cb 1.48 1.52 -0.41 0.00 -1.73 0.00 0.00 68.15 69.01 1hl5 h THR 54 CO 0.25 0.29 -0.54 0.00 -0.25 0.00 0.00 175.52 175.28 1hl5 n ALA 55 N -2.48 5.24 -0.37 6.62 0.00 -1.26 -5.06 120.51 123.20 1hl5 n ALA 55 Ca -0.02 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1hl5 n ALA 55 Cb 0.34 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.73 -0.28 0.29 0.00 0.00 -0.96 -3.33 105.19 100.18 1hl5 n GLY 56 Ca 0.47 -1.04 0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 1.04 0.00 0.00 2.02 -1.89 -2.50 112.91 111.57 1hl5 h THR 58 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1hl5 h THR 58 Cb 0.36 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1hl5 h THR 58 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1hl5 n SER 59 N -4.72 0.00 0.09 4.18 3.41 -1.15 -2.59 113.62 112.84 1hl5 n SER 59 Ca 0.08 -0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1hl5 n SER 59 Cb 0.13 -0.16 0.43 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.16 1.64 -0.21 7.33 0.00 -0.94 -4.45 120.51 122.72 1hl5 n ALA 60 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1hl5 n ALA 60 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.04 -1.13 1.95 0.00 0.00 -1.07 -0.98 105.19 103.91 1hl5 n GLY 61 Ca 0.02 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.07 -0.24 -2.06 1.61 -0.04 -1.26 -4.61 135.00 128.32 1hl5 n PRO 62 Ca 0.00 -1.19 -0.39 0.00 -0.04 0.00 0.00 63.50 61.88 1hl5 n PRO 62 Cb 0.00 -0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 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 -2.00 2.83 0.08 0.54 3.76 -1.26 -0.47 115.29 118.77 1hl5 s HIS 63 Ca 0.36 1.41 -0.31 0.00 -0.15 0.00 0.00 55.06 56.37 1hl5 s HIS 63 Cb -0.01 -3.66 -0.09 0.00 1.11 0.00 0.00 32.58 29.92 1hl5 s HIS 63 CO 0.25 -2.07 1.77 0.12 -0.85 0.00 0.00 174.74 173.95 1hl5 s PHE 64 N -1.26 2.15 -0.42 1.40 5.36 0.08 -4.49 117.98 120.79 1hl5 s PHE 64 Ca 0.57 0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 1hl5 s PHE 64 Cb -0.38 -4.09 0.33 0.00 -0.34 0.00 0.00 43.02 38.54 1hl5 s PHE 64 CO 0.49 -4.50 0.92 -1.71 -1.46 0.00 0.00 175.22 168.96 1hl5 n ASN 65 N 5.94 -0.93 0.29 6.13 5.15 -1.26 -1.16 115.26 129.41 1hl5 n ASN 65 Ca 0.17 -3.36 0.16 0.00 -0.60 0.00 0.00 54.58 50.95 1hl5 n ASN 65 Cb 0.40 0.76 0.88 0.00 -0.53 0.00 0.00 39.78 41.28 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 3.08 0.00 -0.39 1.20 0.13 -1.94 -2.07 132.00 132.01 1hl5 h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.31 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.41 1hl5 n LEU 67 N -3.57 2.67 -3.70 1.56 4.77 -1.26 -4.97 117.00 112.51 1hl5 n LEU 67 Ca -0.02 -1.23 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 1hl5 n LEU 67 Cb 0.16 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1hl5 n LEU 67 CO 0.27 0.62 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.70 1hl5 n SER 68 N 0.96 -1.42 -4.83 -1.43 7.64 -0.78 -4.99 113.62 108.77 1hl5 n SER 68 Ca 0.18 -0.80 -0.25 0.00 1.01 0.00 0.00 58.87 59.00 1hl5 n SER 68 Cb 0.46 -4.11 -0.04 0.00 -1.01 0.00 0.00 64.21 59.50 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 -5.98 2.30 0.60 1.43 0.52 -1.26 -5.13 118.95 111.43 1hl5 s ARG 69 Ca 0.04 -1.87 -0.06 0.00 -0.52 0.00 0.00 55.73 53.32 1hl5 s ARG 69 Cb -0.02 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.37 1hl5 s ARG 69 CO 0.81 -0.33 0.92 0.15 0.02 0.00 0.00 175.30 176.86 1hl5 s LYS 70 N -4.10 2.93 0.25 3.54 -0.14 -1.26 -4.72 119.74 116.24 1hl5 s LYS 70 Ca 0.38 0.04 -0.30 0.00 -1.36 0.00 0.00 55.97 54.74 1hl5 s LYS 70 Cb -0.00 -2.25 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 1hl5 s LYS 70 CO 0.22 -0.72 1.24 -1.58 -0.76 0.00 0.00 175.35 173.75 1hl5 s HIS 71 N -3.02 3.31 0.00 3.18 5.65 -0.40 -3.14 115.29 120.87 1hl5 s HIS 71 Ca 0.54 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.28 1hl5 s HIS 71 Cb -0.11 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1hl5 s HIS 71 CO 0.46 -1.42 0.00 0.41 -0.65 0.00 0.00 174.74 173.53 1hl5 n GLY 72 N 1.59 3.18 3.93 1.59 0.00 -1.24 -4.32 105.19 109.93 1hl5 n GLY 72 Ca 0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.95 1.60 0.51 -0.02 0.00 -1.23 -4.72 107.32 102.51 1hl5 s GLY 73 Ca 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 44.72 44.00 1hl5 s GLY 73 CO 0.00 -0.63 2.13 -0.56 0.00 0.00 0.00 173.10 174.04 1hl5 h PRO 74 N 0.06 0.02 -0.00 2.90 0.13 -1.87 -0.44 132.00 132.79 1hl5 h PRO 74 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hl5 h PRO 74 Cb 1.26 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1hl5 h PRO 74 CO 0.59 0.03 -0.09 1.63 -0.23 0.00 0.00 178.00 179.93 1hl5 n LYS 75 N -4.52 0.58 -2.87 0.86 5.02 -1.26 -4.87 118.16 111.10 1hl5 n LYS 75 Ca -0.03 -0.15 -0.36 0.00 -2.02 0.00 0.00 58.31 55.75 1hl5 n LYS 75 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.53 7.15 0.21 4.39 1.01 -0.18 -4.95 116.67 121.78 1hl5 s ASP 76 Ca 0.28 1.69 -0.06 0.00 0.71 0.00 0.00 52.55 55.17 1hl5 s ASP 76 Cb 0.20 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.77 1hl5 s ASP 76 CO 0.48 -0.13 1.66 -0.08 0.21 0.00 0.00 175.17 177.31 1hl5 h GLU 77 N 2.84 0.89 -4.80 8.23 4.81 -1.89 -3.38 114.58 121.29 1hl5 h GLU 77 Ca -0.48 -0.31 -0.70 0.00 -0.13 0.00 0.00 59.36 57.75 1hl5 h GLU 77 Cb 1.19 -0.07 -0.19 0.00 0.63 0.00 0.00 28.75 30.31 1hl5 h GLU 77 CO 0.64 0.95 0.04 -2.00 -0.73 0.00 0.00 179.01 177.91 1hl5 s GLU 78 N -4.83 3.08 0.22 1.92 2.56 -1.26 -5.00 118.70 115.39 1hl5 s GLU 78 Ca -0.10 -1.10 -0.20 0.00 0.00 0.00 0.00 54.97 53.57 1hl5 s GLU 78 Cb 0.14 -4.17 0.03 0.00 2.00 0.00 0.00 34.13 32.13 1hl5 s GLU 78 CO 0.84 -1.33 0.61 -0.98 -0.56 0.00 0.00 175.26 173.84 1hl5 s ARG 79 N 2.57 1.50 0.41 4.30 1.70 -1.20 -3.66 118.95 124.57 1hl5 s ARG 79 Ca 0.13 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.33 1hl5 s ARG 79 Cb -0.22 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 1hl5 s ARG 79 CO 0.09 -0.66 0.98 -1.01 -1.08 0.00 0.00 175.30 173.62 1hl5 s HIS 80 N -3.87 3.34 0.30 5.89 3.76 -1.19 -4.68 115.29 118.85 1hl5 s HIS 80 Ca 0.08 1.65 0.06 0.00 -0.15 0.00 0.00 55.06 56.70 1hl5 s HIS 80 Cb -0.03 -2.96 0.72 0.00 1.11 0.00 0.00 32.58 31.42 1hl5 s HIS 80 CO -0.01 -0.26 1.79 0.28 -0.85 0.00 0.00 174.74 175.68 1hl5 h VAL 81 N 2.08 0.74 0.00 -0.90 2.07 -1.87 -1.24 116.25 117.13 1hl5 h VAL 81 Ca -0.48 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl5 h VAL 81 Cb 1.20 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1hl5 h VAL 81 CO 0.62 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1hl5 n GLY 82 N -1.34 -0.69 3.53 2.17 0.00 -0.31 -4.38 105.19 104.17 1hl5 n GLY 82 Ca 0.22 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.85 6.37 0.00 1.61 1.01 -0.47 -1.14 116.67 122.20 1hl5 s ASP 83 Ca 0.26 -1.14 0.22 0.00 0.71 0.00 0.00 52.55 52.60 1hl5 s ASP 83 Cb 0.12 -2.53 0.61 0.00 1.01 0.00 0.00 42.92 42.13 1hl5 s ASP 83 CO 0.20 -1.56 1.51 0.18 0.21 0.00 0.00 175.17 175.71 1hl5 n LEU 84 N 8.67 3.87 0.00 1.23 4.77 -1.13 -3.42 117.00 130.98 1hl5 n LEU 84 Ca 0.18 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1hl5 n LEU 84 Cb 0.50 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1hl5 n LEU 84 CO 0.66 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 1hl5 n GLY 85 N 1.56 0.53 3.41 -0.72 0.00 -1.20 -4.81 105.19 103.96 1hl5 n GLY 85 Ca 0.23 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 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 3.20 0.31 1.61 0.01 -1.26 -0.97 114.94 113.84 1hl5 s ASN 86 Ca 0.00 -0.94 0.09 0.00 -0.71 0.00 0.00 52.86 51.31 1hl5 s ASN 86 Cb 0.00 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 1hl5 s ASN 86 CO 0.00 0.02 -0.01 0.68 -1.51 0.00 0.00 177.10 176.28 1hl5 s VAL 87 N -2.20 2.84 -0.14 1.60 -7.23 -0.33 -4.91 120.40 110.02 1hl5 s VAL 87 Ca 0.23 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1hl5 s VAL 87 Cb -0.06 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1hl5 s VAL 87 CO 0.10 -0.27 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.58 1hl5 s THR 88 N -2.46 1.61 0.07 5.32 2.01 -1.26 -1.09 115.64 119.83 1hl5 s THR 88 Ca 0.33 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 1hl5 s THR 88 Cb -0.02 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1hl5 s THR 88 CO 0.19 0.47 0.44 0.00 -0.69 0.00 0.00 174.62 175.03 1hl5 s ALA 89 N 1.29 3.68 0.67 7.40 0.00 -0.44 -4.18 121.76 130.18 1hl5 s ALA 89 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 1hl5 s ALA 89 Cb -0.14 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1hl5 s ALA 89 CO -0.08 0.51 0.15 -0.40 0.00 0.00 0.00 175.76 175.94 1hl5 n ASP 90 N 1.22 0.11 0.24 0.00 5.68 -0.19 -1.24 116.55 122.36 1hl5 n ASP 90 Ca -0.10 -1.11 0.07 0.00 -0.50 0.00 0.00 54.79 53.15 1hl5 n ASP 90 Cb 0.52 -0.11 0.56 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.07 0.11 2.10 -1.97 -1.10 116.57 115.63 1hl5 h LYS 91 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1hl5 h LYS 91 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1hl5 h LYS 91 CO 0.04 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1hl5 n ASP 92 N -4.32 0.63 0.00 7.07 8.00 -1.26 -4.83 116.55 121.84 1hl5 n ASP 92 Ca -0.03 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1hl5 n ASP 92 Cb 0.20 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.87 0.49 3.50 0.44 0.00 -0.42 -4.76 105.19 105.33 1hl5 n GLY 93 Ca 0.13 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 4.24 -0.27 1.61 1.01 -1.26 -2.07 120.40 121.65 1hl5 s VAL 94 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1hl5 s VAL 94 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1hl5 s VAL 94 CO 0.00 0.42 0.12 0.00 0.00 0.00 0.00 175.10 175.65 1hl5 s ALA 95 N 0.88 3.29 -0.62 5.51 0.00 0.39 -1.02 121.76 130.19 1hl5 s ALA 95 Ca 0.02 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 1hl5 s ALA 95 Cb -0.14 -2.26 0.11 0.00 0.00 0.00 0.00 23.12 20.83 1hl5 s ALA 95 CO 0.02 -0.61 0.71 -0.51 0.00 0.00 0.00 175.76 175.37 1hl5 s ASP 96 N 1.65 6.23 0.09 0.00 -0.00 -1.26 -0.92 116.67 122.46 1hl5 s ASP 96 Ca 0.06 -1.55 -0.27 0.00 -0.00 0.00 0.00 52.55 50.79 1hl5 s ASP 96 Cb -0.16 -2.30 -0.06 0.00 -0.00 0.00 0.00 42.92 40.41 1hl5 s ASP 96 CO 0.06 -1.07 0.83 -0.69 -0.00 0.00 0.00 175.17 174.30 1hl5 s VAL 97 N 2.49 4.59 -0.26 -1.27 1.01 0.41 -4.91 120.40 122.47 1hl5 s VAL 97 Ca 0.12 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 1hl5 s VAL 97 Cb -0.23 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.11 1hl5 s VAL 97 CO 0.04 0.37 0.46 -0.55 0.00 0.00 0.00 175.10 175.43 1hl5 s SER 98 N -0.22 -0.36 0.03 3.32 0.15 -1.25 -1.48 113.70 113.89 1hl5 s SER 98 Ca 0.41 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.59 1hl5 s SER 98 Cb -0.22 1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 65.58 1hl5 s SER 98 CO 0.26 -0.28 -0.07 -0.63 1.20 0.00 0.00 173.24 173.71 1hl5 s ILE 99 N 2.66 0.53 -0.06 6.45 1.01 0.18 -5.01 121.20 126.95 1hl5 s ILE 99 Ca 0.14 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1hl5 s ILE 99 Cb -0.15 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1hl5 s ILE 99 CO -0.17 -0.24 -0.17 -0.70 0.00 0.00 0.00 174.94 173.65 1hl5 s GLU 100 N -1.20 2.05 -0.02 2.79 2.12 -1.26 -0.59 118.70 122.59 1hl5 s GLU 100 Ca -0.07 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1hl5 s GLU 100 Cb -0.08 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1hl5 s GLU 100 CO 0.00 0.16 0.07 0.34 -0.54 0.00 0.00 175.26 175.29 1hl5 s ASP 101 N 0.31 -0.03 0.00 -1.70 2.15 -0.19 -4.96 116.67 112.25 1hl5 s ASP 101 Ca -0.11 0.04 0.06 0.00 0.43 0.00 0.00 52.55 52.98 1hl5 s ASP 101 Cb -0.14 0.15 0.10 0.00 -0.30 0.00 0.00 42.92 42.73 1hl5 s ASP 101 CO 0.04 -0.09 0.89 -1.20 -0.17 0.00 0.00 175.17 174.65 1hl5 n SER 102 N 2.74 1.96 -0.08 -0.34 7.64 -1.26 -0.20 113.62 124.08 1hl5 n SER 102 Ca -0.14 -1.58 -0.21 0.00 1.01 0.00 0.00 58.87 57.94 1hl5 n SER 102 Cb 0.59 -0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 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 1.19 0.92 -3.68 0.44 2.07 -1.92 -3.46 116.25 111.80 1hl5 h VAL 103 Ca 0.00 -2.23 -0.46 0.00 0.82 0.00 0.00 66.70 64.83 1hl5 h VAL 103 Cb 0.42 2.36 0.18 0.00 -1.52 0.00 0.00 31.29 32.73 1hl5 h VAL 103 CO 0.00 0.44 0.13 0.27 0.02 0.00 0.00 177.57 178.42 1hl5 s ILE 104 N -2.39 2.17 0.14 4.57 -4.36 -1.26 -4.85 121.20 115.21 1hl5 s ILE 104 Ca -0.27 0.05 -0.18 0.00 -0.26 0.00 0.00 60.65 59.99 1hl5 s ILE 104 Cb 0.05 -2.29 0.05 0.00 1.25 0.00 0.00 42.46 41.52 1hl5 s ILE 104 CO 0.64 -0.07 0.47 -0.55 0.24 0.00 0.00 174.94 175.66 1hl5 s SER 105 N -2.93 -0.34 -0.07 4.36 0.15 -0.99 -4.74 113.70 109.14 1hl5 s SER 105 Ca 0.66 -0.23 0.20 0.00 0.70 0.00 0.00 55.95 57.28 1hl5 s SER 105 Cb -0.22 0.52 0.69 0.00 -1.71 0.00 0.00 66.02 65.30 1hl5 s SER 105 CO 0.61 -0.90 1.59 0.18 1.20 0.00 0.00 173.24 175.92 1hl5 n LEU 106 N -0.28 4.47 -3.82 3.45 4.77 -1.26 -1.63 117.00 122.69 1hl5 n LEU 106 Ca -0.16 -2.29 -0.09 0.00 -0.03 0.00 0.00 56.01 53.44 1hl5 n LEU 106 Cb 0.64 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1hl5 n LEU 106 CO 0.15 0.87 0.31 -0.94 -1.33 0.00 0.00 177.39 176.46 1hl5 s SER 107 N -0.95 -0.23 0.12 -1.43 1.04 -1.26 -4.86 113.70 106.12 1hl5 s SER 107 Ca 0.50 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1hl5 s SER 107 Cb 0.30 0.62 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1hl5 s SER 107 CO 0.27 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1hl5 n GLY 108 N -0.39 -1.32 0.29 7.32 0.00 -1.26 -3.58 105.19 106.25 1hl5 n GLY 108 Ca -0.07 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.73 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 0.32 -0.63 1.61 3.45 -2.01 -2.25 116.42 116.91 1hl5 h ASP 109 Ca 0.00 -0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.33 1hl5 h ASP 109 Cb 0.00 -0.08 -0.07 0.00 -0.56 0.00 0.00 39.33 38.62 1hl5 h ASP 109 CO 0.00 0.27 0.14 1.41 -1.57 0.00 0.00 179.24 179.49 1hl5 n HIS 110 N -4.46 2.17 -1.88 4.55 8.25 -1.26 -4.98 115.22 117.61 1hl5 n HIS 110 Ca 0.01 -1.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.05 1hl5 n HIS 110 Cb 0.10 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 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 2.79 0.00 -2.05 0.00 -5.35 -0.65 -4.92 119.36 109.18 1hl5 n ILE 112 Ca 0.10 -0.49 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 1hl5 n ILE 112 Cb 0.38 1.30 -0.02 0.00 -1.74 0.00 0.00 39.64 39.56 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 -1.23 2.69 0.00 7.28 -1.09 -1.26 -1.65 121.20 125.94 1hl5 s ILE 113 Ca 0.17 0.61 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1hl5 s ILE 113 Cb 0.12 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1hl5 s ILE 113 CO 0.19 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1hl5 n GLY 114 N 1.75 0.96 1.32 6.18 0.00 0.18 -4.98 105.19 110.60 1hl5 n GLY 114 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.95 -5.00 1.61 1.74 -0.66 -2.30 116.66 111.01 1hl5 n ARG 115 Ca 0.00 -1.09 -0.32 0.00 -0.77 0.00 0.00 57.85 55.66 1hl5 n ARG 115 Cb 0.00 -0.03 -0.15 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.40 2.61 -0.09 0.55 2.01 -1.03 -0.57 115.64 118.71 1hl5 s THR 116 Ca 0.18 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1hl5 s THR 116 Cb -0.01 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1hl5 s THR 116 CO 0.12 0.55 0.32 -0.22 -0.69 0.00 0.00 174.62 174.70 1hl5 s LEU 117 N 0.09 4.36 -0.03 4.42 2.96 -0.31 0.26 118.68 130.44 1hl5 s LEU 117 Ca -0.08 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1hl5 s LEU 117 Cb -0.15 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1hl5 s LEU 117 CO 0.05 0.24 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.48 1hl5 s VAL 118 N -0.41 1.28 -0.07 1.68 1.01 -0.01 -1.87 120.40 122.01 1hl5 s VAL 118 Ca 0.20 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1hl5 s VAL 118 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1hl5 s VAL 118 CO 0.08 0.37 -0.13 0.54 0.00 0.00 0.00 175.10 175.96 1hl5 s VAL 119 N -0.13 3.13 0.35 2.92 0.11 -0.59 -1.86 120.40 124.33 1hl5 s VAL 119 Ca 0.01 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1hl5 s VAL 119 Cb -0.09 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 1hl5 s VAL 119 CO 0.01 0.57 0.32 -1.00 -3.33 0.00 0.00 175.10 171.67 1hl5 s HIS 120 N -0.46 2.88 0.18 1.54 3.76 0.17 -1.16 115.29 122.20 1hl5 s HIS 120 Ca 0.06 -0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 54.52 1hl5 s HIS 120 Cb -0.12 -1.89 0.10 0.00 1.11 0.00 0.00 32.58 31.78 1hl5 s HIS 120 CO 0.02 0.10 1.75 1.49 -0.85 0.00 0.00 174.74 177.25 1hl5 h GLU 121 N 1.18 0.96 -5.24 1.40 4.81 -0.73 -3.39 114.58 113.57 1hl5 h GLU 121 Ca -0.44 -0.17 -0.59 0.00 -0.13 0.00 0.00 59.36 58.03 1hl5 h GLU 121 Cb 1.26 -0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1hl5 h GLU 121 CO 0.58 0.80 -0.55 0.15 -0.73 0.00 0.00 179.01 179.26 1hl5 s LYS 122 N -5.58 1.97 0.40 1.92 1.02 0.59 -4.91 119.74 115.14 1hl5 s LYS 122 Ca -0.13 -2.19 -0.26 0.00 0.02 0.00 0.00 55.97 53.41 1hl5 s LYS 122 Cb 0.14 -1.15 -0.09 0.00 -0.52 0.00 0.00 37.83 36.20 1hl5 s LYS 122 CO 0.80 -0.30 1.32 0.00 -0.92 0.00 0.00 175.35 176.25 1hl5 s ALA 123 N -3.03 3.30 -0.18 5.17 0.00 -1.03 -1.09 121.76 124.90 1hl5 s ALA 123 Ca 0.22 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1hl5 s ALA 123 Cb 0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1hl5 s ALA 123 CO 0.11 -0.83 1.00 0.34 0.00 0.00 0.00 175.76 176.39 1hl5 s ASP 124 N -0.67 7.13 0.00 0.00 -1.08 -1.26 -3.85 116.67 116.93 1hl5 s ASP 124 Ca 0.56 1.41 0.14 0.00 -0.52 0.00 0.00 52.55 54.13 1hl5 s ASP 124 Cb -0.39 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.08 1hl5 s ASP 124 CO 0.50 -0.56 1.39 -0.90 0.52 0.00 0.00 175.17 176.12 1hl5 n ASP 125 N 5.74 1.13 -2.29 -0.34 5.68 0.36 -4.89 116.55 121.94 1hl5 n ASP 125 Ca 0.10 -1.80 -0.20 0.00 -0.50 0.00 0.00 54.79 52.39 1hl5 n ASP 125 Cb 0.47 -0.11 -0.02 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 0.04 -1.78 0.00 -2.12 4.77 -1.26 -1.73 117.00 114.92 1hl5 n LEU 126 Ca 0.11 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1hl5 n LEU 126 Cb 0.21 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1hl5 n LEU 126 CO 0.09 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 1hl5 n GLY 127 N -0.90 0.70 1.28 -0.72 0.00 -1.25 -3.51 105.19 100.79 1hl5 n GLY 127 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.51 3.68 0.00 1.61 5.02 -0.70 -4.61 118.16 120.65 1hl5 n LYS 128 Ca 0.00 -2.97 0.13 0.00 -2.02 0.00 0.00 58.31 53.44 1hl5 n LYS 128 Cb 0.00 -2.01 0.39 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 -1.25 1.73 0.72 0.00 -1.26 -4.95 105.19 100.08 1hl5 n GLY 129 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.47 0.52 3.25 -0.02 0.00 -1.26 -4.98 105.19 104.17 1hl5 n GLY 130 Ca 0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.44 0.78 0.20 1.61 2.20 -1.26 -5.06 114.94 110.98 1hl5 s ASN 131 Ca 0.00 -1.48 -0.12 0.00 -0.94 0.00 0.00 52.86 50.32 1hl5 s ASN 131 Cb 0.00 0.39 0.12 0.00 -2.00 0.00 0.00 41.25 39.76 1hl5 s ASN 131 CO 0.00 -0.87 1.86 -0.33 -2.94 0.00 0.00 177.10 174.81 1hl5 h GLU 132 N 2.44 0.89 -0.78 3.55 4.39 -1.99 -2.63 114.58 120.45 1hl5 h GLU 132 Ca -0.34 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.41 1hl5 h GLU 132 Cb 1.25 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 1hl5 h GLU 132 CO 0.51 0.61 0.51 1.49 -1.16 0.00 0.00 179.01 180.97 1hl5 h GLU 133 N 0.91 0.62 -0.59 2.33 4.57 -1.99 -0.46 114.58 119.97 1hl5 h GLU 133 Ca 0.24 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1hl5 h GLU 133 Cb -0.08 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1hl5 h GLU 133 CO -0.05 0.41 0.23 1.03 -1.18 0.00 0.00 179.01 179.45 1hl5 h SER 134 N 0.63 0.78 0.00 1.04 0.87 -1.81 -0.30 113.55 114.77 1hl5 h SER 134 Ca 0.37 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1hl5 h SER 134 Cb 0.57 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1hl5 h SER 134 CO -0.14 0.71 0.00 0.35 -0.53 0.00 0.00 176.83 177.21 1hl5 n THR 135 N -4.32 0.00 -0.05 2.23 -2.24 -0.20 -2.00 114.28 107.70 1hl5 n THR 135 Ca 0.05 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1hl5 n THR 135 Cb 0.17 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.98 0.22 0.00 -0.78 5.02 -0.57 -1.28 118.16 119.80 1hl5 n LYS 136 Ca 0.22 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1hl5 n LYS 136 Cb 0.10 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -3.50 0.00 -1.24 -0.18 -2.24 -0.23 -4.65 114.28 102.23 1hl5 n THR 137 Ca -0.20 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 1hl5 n THR 137 Cb 0.62 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 70.08 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 0.17 0.98 2.97 3.38 0.00 -0.85 -3.31 105.19 108.52 1hl5 n GLY 138 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.06 -5.09 -0.12 1.61 3.02 -1.25 -0.48 115.26 112.89 1hl5 n ASN 139 Ca -0.08 -0.22 0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1hl5 n ASN 139 Cb 0.35 -4.17 0.76 0.00 -0.61 0.00 0.00 39.78 36.11 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 -3.18 2.66 -0.35 5.41 0.00 -1.21 -4.70 120.51 119.14 1hl5 n ALA 140 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1hl5 n ALA 140 Cb 0.60 -1.40 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 1.13 0.37 3.72 0.00 0.00 -1.26 -0.30 105.19 108.85 1hl5 n GLY 141 Ca 0.20 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1hl5 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hl5 s SER 142 N -4.00 4.07 -0.41 1.61 0.01 -1.26 -4.64 113.70 109.09 1hl5 s SER 142 Ca 0.00 2.32 -0.19 0.00 1.31 0.00 0.00 55.95 59.39 1hl5 s SER 142 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1hl5 s SER 142 CO 0.00 -2.34 0.56 -0.13 0.41 0.00 0.00 173.24 171.74 1hl5 s ARG 143 N -4.02 3.36 0.01 12.44 0.52 -1.26 -0.51 118.95 129.49 1hl5 s ARG 143 Ca 0.73 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.43 1hl5 s ARG 143 Cb -0.28 -3.91 -0.34 0.00 0.52 0.00 0.00 34.95 30.94 1hl5 s ARG 143 CO 0.47 -0.86 0.93 -0.07 0.02 0.00 0.00 175.30 175.79 1hl5 h LEU 144 N 9.37 0.78 -7.22 2.53 3.38 -1.44 -3.47 115.31 119.25 1hl5 h LEU 144 Ca -0.26 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 56.75 1hl5 h LEU 144 Cb 1.11 -0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1hl5 h LEU 144 CO 0.84 1.72 0.03 0.00 0.09 0.00 0.00 178.44 181.12 1hl5 s ALA 145 N -2.60 -1.28 0.25 1.53 0.00 -1.16 -4.03 121.76 114.47 1hl5 s ALA 145 Ca -0.10 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 1hl5 s ALA 145 Cb 0.04 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1hl5 s ALA 145 CO 0.92 -0.56 0.65 0.00 0.00 0.00 0.00 175.76 176.77 1hl5 s GLY 147 N -2.90 -0.52 0.16 0.00 0.00 -0.78 -1.56 107.32 101.71 1hl5 s GLY 147 Ca 0.11 0.58 -0.23 0.00 0.00 0.00 0.00 44.72 45.18 1hl5 s GLY 147 CO 0.03 0.19 0.73 0.14 0.00 0.00 0.00 173.10 174.19 1hl5 s VAL 148 N -3.55 4.48 -0.18 1.40 1.01 -1.26 -1.17 120.40 121.13 1hl5 s VAL 148 Ca 0.03 1.52 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 1hl5 s VAL 148 Cb -0.01 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1hl5 s VAL 148 CO -0.10 0.46 0.87 -0.63 0.00 0.00 0.00 175.10 175.70 1hl5 s ILE 149 N -1.23 4.84 0.26 2.22 1.01 0.26 -4.53 121.20 124.03 1hl5 s ILE 149 Ca 0.36 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.80 1hl5 s ILE 149 Cb -0.21 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1hl5 s ILE 149 CO 0.24 -0.02 -0.13 -0.83 0.00 0.00 0.00 174.94 174.20 1hl5 s GLY 150 N 1.19 1.74 0.15 6.18 0.00 -0.13 0.51 107.32 116.96 1hl5 s GLY 150 Ca 0.39 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 1hl5 s GLY 150 CO 0.11 -1.86 1.30 -0.42 0.00 0.00 0.00 173.10 172.23 1hl5 s ILE 151 N -2.83 3.39 0.24 0.90 1.01 -1.26 -0.81 121.20 121.84 1hl5 s ILE 151 Ca 0.27 1.08 0.10 0.00 0.00 0.00 0.00 60.65 62.10 1hl5 s ILE 151 Cb -0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1hl5 s ILE 151 CO 0.11 0.13 -0.08 0.00 0.00 0.00 0.00 174.94 175.11 1hl5 s ALA 152 N 0.50 3.00 -2.00 9.38 0.00 -0.75 -4.80 121.76 127.09 1hl5 s ALA 152 Ca 0.59 -1.65 0.21 0.00 0.00 0.00 0.00 51.96 51.11 1hl5 s ALA 152 Cb -0.35 -0.65 1.24 0.00 0.00 0.00 0.00 23.12 23.37 1hl5 s ALA 152 CO 0.35 0.33 1.63 0.94 0.00 0.00 0.00 175.76 179.00