#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 4.32 0.07 0.00 -1.32 -0.85 -4.86 115.64 112.99 1hl5 s THR 2 Ca 0.00 1.67 0.05 0.00 -1.21 0.00 0.00 61.69 62.20 1hl5 s THR 2 Cb 0.00 -3.99 -0.03 0.00 -1.51 0.00 0.00 72.50 66.97 1hl5 s THR 2 CO 0.00 0.20 -0.14 -0.54 -2.21 0.00 0.00 174.62 171.93 1hl5 s LYS 3 N -1.94 0.83 0.13 7.08 1.02 -1.26 -0.76 119.74 124.84 1hl5 s LYS 3 Ca 0.47 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 1hl5 s LYS 3 Cb -0.19 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1hl5 s LYS 3 CO 0.23 0.19 0.14 0.00 -0.92 0.00 0.00 175.35 175.00 1hl5 s ALA 4 N -1.25 0.44 0.03 5.17 0.00 -0.39 -1.67 121.76 124.10 1hl5 s ALA 4 Ca -0.02 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 1hl5 s ALA 4 Cb -0.10 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1hl5 s ALA 4 CO 0.02 -0.54 0.24 0.54 0.00 0.00 0.00 175.76 176.02 1hl5 s VAL 5 N -4.00 0.09 -0.04 0.00 0.11 0.14 -0.69 120.40 116.02 1hl5 s VAL 5 Ca 0.19 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1hl5 s VAL 5 Cb 0.06 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1hl5 s VAL 5 CO -0.01 -0.41 0.06 0.00 -3.33 0.00 0.00 175.10 171.41 1hl5 s VAL 7 N 1.54 5.22 -0.18 0.00 1.01 -1.26 -0.82 120.40 125.90 1hl5 s VAL 7 Ca -0.03 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1hl5 s VAL 7 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1hl5 s VAL 7 CO -0.03 0.15 0.35 -0.76 0.00 0.00 0.00 175.10 174.81 1hl5 s LEU 8 N 1.95 4.19 0.04 3.92 1.43 0.80 -3.88 118.68 127.13 1hl5 s LEU 8 Ca 0.12 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1hl5 s LEU 8 Cb -0.16 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1hl5 s LEU 8 CO 0.11 0.00 -0.04 -0.54 0.23 0.00 0.00 176.35 176.11 1hl5 s LYS 9 N 0.93 0.47 0.00 1.70 -0.14 -0.66 -1.86 119.74 120.18 1hl5 s LYS 9 Ca 0.18 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 1hl5 s LYS 9 Cb -0.14 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.10 1hl5 s LYS 9 CO 0.06 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.00 1hl5 n GLY 10 N 0.94 3.54 0.20 -3.33 0.00 -1.24 -0.84 105.19 104.45 1hl5 n GLY 10 Ca -0.19 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.88 -3.47 116.42 116.01 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 0.04 4.20 0.22 2.75 0.00 -1.26 -5.02 105.19 106.11 1hl5 n GLY 12 Ca -0.01 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 1.30 -2.53 1.61 -0.04 -1.26 -4.88 135.00 129.20 1hl5 n PRO 13 Ca 0.00 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.60 1hl5 n PRO 13 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.98 4.31 -0.03 0.52 1.01 -1.26 -4.34 120.40 118.62 1hl5 s VAL 14 Ca 0.41 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.79 1hl5 s VAL 14 Cb 0.20 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1hl5 s VAL 14 CO 0.33 0.15 0.62 0.00 0.00 0.00 0.00 175.10 176.20 1hl5 s GLN 15 N 0.90 1.01 0.08 2.72 0.00 -0.89 -3.69 119.66 119.79 1hl5 s GLN 15 Ca 0.55 0.14 -0.26 0.00 -0.00 0.00 0.00 55.36 55.79 1hl5 s GLN 15 Cb -0.27 0.47 0.09 0.00 0.00 0.00 0.00 33.01 33.31 1hl5 s GLN 15 CO 0.29 -0.32 1.16 0.20 0.00 0.00 0.00 175.29 176.62 1hl5 s GLY 16 N -1.32 -0.11 -0.05 2.60 0.00 -0.78 -0.22 107.32 107.45 1hl5 s GLY 16 Ca -0.11 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.66 1hl5 s GLY 16 CO 0.08 2.74 -0.06 -0.42 0.00 0.00 0.00 173.10 175.43 1hl5 s ILE 17 N -2.29 0.67 -0.06 0.90 1.01 -0.91 -0.14 121.20 120.37 1hl5 s ILE 17 Ca 0.22 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1hl5 s ILE 17 Cb -0.00 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 1hl5 s ILE 17 CO 0.01 0.26 -0.22 -0.63 0.00 0.00 0.00 174.94 174.36 1hl5 s ILE 18 N 0.91 1.80 0.02 2.92 -1.09 -0.00 -2.55 121.20 123.21 1hl5 s ILE 18 Ca -0.11 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1hl5 s ILE 18 Cb -0.15 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1hl5 s ILE 18 CO 0.01 0.51 0.10 0.20 -1.23 0.00 0.00 174.94 174.52 1hl5 s ASN 19 N 0.06 5.75 0.00 3.58 -0.87 0.15 -0.43 114.94 123.18 1hl5 s ASN 19 Ca -0.08 0.13 0.06 0.00 -1.57 0.00 0.00 52.86 51.40 1hl5 s ASN 19 Cb -0.14 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.42 1hl5 s ASN 19 CO 0.04 0.23 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.27 1hl5 s PHE 20 N -1.29 1.58 -0.03 2.20 0.40 0.13 -1.44 117.98 119.53 1hl5 s PHE 20 Ca 0.26 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1hl5 s PHE 20 Cb -0.12 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.44 1hl5 s PHE 20 CO 0.18 0.00 0.07 -2.00 0.70 0.00 0.00 175.22 174.17 1hl5 s GLU 21 N -0.62 0.03 -0.22 0.44 2.12 -0.48 -1.27 118.70 118.70 1hl5 s GLU 21 Ca 0.06 0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 1hl5 s GLU 21 Cb -0.07 -0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.23 1hl5 s GLU 21 CO -0.00 -0.13 0.04 -1.14 -0.54 0.00 0.00 175.26 173.49 1hl5 s GLN 22 N 0.83 0.78 0.16 4.30 0.74 0.06 -1.15 119.66 125.37 1hl5 s GLN 22 Ca -0.07 -0.60 -0.10 0.00 0.05 0.00 0.00 55.36 54.64 1hl5 s GLN 22 Cb -0.09 -2.14 0.01 0.00 1.10 0.00 0.00 33.01 31.89 1hl5 s GLN 22 CO -0.03 -0.70 1.56 0.87 -0.55 0.00 0.00 175.29 176.44 1hl5 h LYS 23 N 8.19 0.99 -6.76 1.67 1.57 -1.83 -2.27 116.57 118.13 1hl5 h LYS 23 Ca -0.16 -0.40 -0.69 0.00 -1.87 0.00 0.00 60.65 57.53 1hl5 h LYS 23 Cb 1.10 -0.05 -0.25 0.00 0.08 0.00 0.00 32.23 33.11 1hl5 h LYS 23 CO 0.37 1.08 -0.87 -1.21 -0.57 0.00 0.00 179.45 178.24 1hl5 s GLU 24 N -4.75 1.62 0.32 3.15 8.01 -1.26 -4.46 118.70 121.33 1hl5 s GLU 24 Ca -0.12 -1.19 -0.29 0.00 0.01 0.00 0.00 54.97 53.38 1hl5 s GLU 24 Cb 0.12 -1.91 -0.12 0.00 -4.31 0.00 0.00 34.13 27.91 1hl5 s GLU 24 CO 0.86 0.48 1.53 -1.13 0.01 0.00 0.00 175.26 177.02 1hl5 n SER 25 N 1.44 3.70 0.00 -0.19 3.41 -1.26 -0.48 113.62 120.24 1hl5 n SER 25 Ca -0.17 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1hl5 n SER 25 Cb 0.52 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1hl5 n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hl5 n ASN 26 N 1.60 -2.95 -4.08 4.04 3.02 -1.26 -4.96 115.26 110.68 1hl5 n ASN 26 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.32 1hl5 n ASN 26 Cb 0.37 -2.93 0.19 0.00 -0.61 0.00 0.00 39.78 36.80 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1hl5 s GLY 27 N -1.95 1.76 0.64 7.41 0.00 0.37 -5.02 107.32 110.52 1hl5 s GLY 27 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 44.72 43.37 1hl5 s GLY 27 CO 0.00 -0.39 1.23 -4.14 0.00 0.00 0.00 173.10 169.81 1hl5 s PRO 28 N -5.83 2.68 -0.20 2.90 0.02 -1.26 -4.84 135.00 128.46 1hl5 s PRO 28 Ca 0.74 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1hl5 s PRO 28 Cb -0.04 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1hl5 s PRO 28 CO 0.53 -1.45 -0.03 0.08 -0.33 0.00 0.00 177.00 175.80 1hl5 s VAL 29 N -1.62 3.63 0.10 3.83 1.01 0.57 -4.35 120.40 123.56 1hl5 s VAL 29 Ca 0.78 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1hl5 s VAL 29 Cb -0.32 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1hl5 s VAL 29 CO 0.38 0.43 0.78 -0.54 0.00 0.00 0.00 175.10 176.15 1hl5 s LYS 30 N 1.13 4.53 -0.08 2.72 1.02 -0.30 -1.06 119.74 127.71 1hl5 s LYS 30 Ca 0.02 1.12 -0.00 0.00 0.02 0.00 0.00 55.97 57.12 1hl5 s LYS 30 Cb -0.15 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1hl5 s LYS 30 CO 0.00 0.40 -0.04 0.14 -0.92 0.00 0.00 175.35 174.93 1hl5 s VAL 31 N -0.50 0.70 0.07 3.17 -7.23 0.44 -1.38 120.40 115.67 1hl5 s VAL 31 Ca 0.38 -0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.22 1hl5 s VAL 31 Cb -0.22 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.02 1hl5 s VAL 31 CO 0.25 0.30 0.50 -1.66 -0.31 0.00 0.00 175.10 174.18 1hl5 s TRP 32 N 1.57 -0.39 -5.00 2.82 -2.14 -0.52 -0.53 118.94 114.75 1hl5 s TRP 32 Ca 0.00 0.34 0.00 0.00 2.66 0.00 0.00 56.10 59.11 1hl5 s TRP 32 Cb -0.13 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.58 1hl5 s TRP 32 CO -0.05 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 173.98 1hl5 n GLY 33 N 0.22 -1.51 3.28 3.67 0.00 -1.01 0.30 105.19 110.14 1hl5 n GLY 33 Ca -0.18 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.80 3.00 -0.10 1.61 0.15 -1.06 -0.43 113.70 115.07 1hl5 s SER 34 Ca 0.00 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.20 1hl5 s SER 34 Cb 0.00 -0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1hl5 s SER 34 CO 0.00 0.27 -0.22 -0.63 1.20 0.00 0.00 173.24 173.86 1hl5 s ILE 35 N -0.32 2.22 0.42 6.45 1.01 -0.13 -2.14 121.20 128.70 1hl5 s ILE 35 Ca 0.02 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1hl5 s ILE 35 Cb -0.12 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 1hl5 s ILE 35 CO 0.02 0.55 0.06 -1.59 0.00 0.00 0.00 174.94 173.99 1hl5 s LYS 36 N 0.33 2.05 0.00 2.79 -2.85 0.70 -0.64 119.74 122.12 1hl5 s LYS 36 Ca -0.17 -2.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.75 1hl5 s LYS 36 Cb -0.18 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.86 1hl5 s LYS 36 CO 0.08 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1hl5 n GLY 37 N -1.07 0.62 3.90 0.59 0.00 -1.00 -2.10 105.19 106.13 1hl5 n GLY 37 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 3.80 0.49 0.99 1.43 -0.76 -4.37 118.68 120.26 1hl5 s LEU 38 Ca 0.00 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 53.81 1hl5 s LEU 38 Cb 0.00 -3.82 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 1hl5 s LEU 38 CO 0.00 -0.43 1.10 0.42 0.23 0.00 0.00 176.35 177.67 1hl5 s THR 39 N -2.47 3.39 0.36 5.49 -4.23 -1.26 -4.07 115.64 112.84 1hl5 s THR 39 Ca 0.47 0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 61.63 1hl5 s THR 39 Cb -0.10 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.21 1hl5 s THR 39 CO 0.37 -0.13 1.48 1.21 -0.54 0.00 0.00 174.62 177.02 1hl5 n GLU 40 N -0.88 2.60 0.00 3.99 2.13 -1.26 -4.55 120.64 122.67 1hl5 n GLU 40 Ca 0.09 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1hl5 n GLU 40 Cb 0.51 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 0.83 -0.00 3.78 8.31 0.00 -0.33 -4.91 105.19 112.88 1hl5 n GLY 41 Ca 0.03 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 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 4.48 -0.03 0.99 1.43 -1.26 -0.99 118.68 123.30 1hl5 s LEU 42 Ca 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1hl5 s LEU 42 Cb 0.00 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.55 1hl5 s LEU 42 CO 0.00 0.07 0.01 -1.00 0.23 0.00 0.00 176.35 175.66 1hl5 s HIS 43 N -1.39 0.21 0.61 0.29 3.76 0.20 -2.80 115.29 116.17 1hl5 s HIS 43 Ca 0.44 0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 55.21 1hl5 s HIS 43 Cb -0.21 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1hl5 s HIS 43 CO 0.26 -0.12 1.29 0.41 -0.85 0.00 0.00 174.74 175.73 1hl5 n GLY 44 N 4.22 0.55 2.83 -2.22 0.00 -0.19 -0.68 105.19 109.69 1hl5 n GLY 44 Ca -0.26 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.36 -0.49 0.05 1.61 5.36 -0.07 -0.84 117.98 122.24 1hl5 s PHE 45 Ca 0.78 0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.22 1hl5 s PHE 45 Cb -0.40 -0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1hl5 s PHE 45 CO 0.44 -0.64 0.01 -1.01 -1.46 0.00 0.00 175.22 172.56 1hl5 s HIS 46 N 2.41 0.41 -0.28 10.12 3.76 -0.70 -2.66 115.29 128.36 1hl5 s HIS 46 Ca 0.09 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 53.98 1hl5 s HIS 46 Cb -0.15 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 1hl5 s HIS 46 CO -0.13 -0.37 0.30 0.08 -0.85 0.00 0.00 174.74 173.77 1hl5 s VAL 47 N -3.45 5.23 0.43 -0.90 1.01 0.01 -0.62 120.40 122.10 1hl5 s VAL 47 Ca 0.02 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1hl5 s VAL 47 Cb 0.04 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1hl5 s VAL 47 CO -0.08 0.17 0.63 -1.00 0.00 0.00 0.00 175.10 174.82 1hl5 s HIS 48 N 1.95 3.18 0.10 5.22 3.76 0.15 -1.10 115.29 128.55 1hl5 s HIS 48 Ca 0.12 0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1hl5 s HIS 48 Cb -0.16 -2.26 -0.16 0.00 1.11 0.00 0.00 32.58 31.11 1hl5 s HIS 48 CO 0.10 -0.30 1.28 1.49 -0.85 0.00 0.00 174.74 176.46 1hl5 h GLU 49 N 0.50 0.71 -5.86 1.40 4.81 -0.52 -2.85 114.58 112.78 1hl5 h GLU 49 Ca -0.46 -0.64 -0.67 0.00 -0.13 0.00 0.00 59.36 57.46 1hl5 h GLU 49 Cb 1.26 0.15 -0.18 0.00 0.63 0.00 0.00 28.75 30.61 1hl5 h GLU 49 CO 0.56 1.25 -0.66 -0.06 -0.73 0.00 0.00 179.01 179.37 1hl5 s PHE 50 N -3.58 3.04 -0.36 0.92 0.08 -0.27 -4.68 117.98 113.12 1hl5 s PHE 50 Ca -0.09 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.91 1hl5 s PHE 50 Cb 0.08 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1hl5 s PHE 50 CO 0.90 0.28 3.08 0.41 -0.10 0.00 0.00 175.22 179.79 1hl5 n GLY 51 N 2.55 3.89 3.18 4.36 0.00 -1.05 -3.76 105.19 114.36 1hl5 n GLY 51 Ca -0.18 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 1.01 4.80 -0.14 1.61 -1.08 -1.26 -4.96 116.67 116.65 1hl5 s ASP 52 Ca 0.62 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.62 1hl5 s ASP 52 Cb 0.35 -1.71 0.55 0.00 -1.46 0.00 0.00 42.92 40.64 1hl5 s ASP 52 CO -0.13 -0.23 1.46 -3.20 0.52 0.00 0.00 175.17 173.58 1hl5 n ASN 53 N 4.64 4.05 0.24 -0.34 4.05 -1.26 -2.88 115.26 123.77 1hl5 n ASN 53 Ca -0.14 -2.72 0.10 0.00 0.45 0.00 0.00 54.58 52.27 1hl5 n ASN 53 Cb 0.44 -0.50 0.69 0.00 1.23 0.00 0.00 39.78 41.63 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 2.44 0.90 -1.52 -0.44 1.35 -1.92 -2.13 112.91 111.59 1hl5 h THR 54 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.26 1hl5 h THR 54 Cb 1.37 0.97 -0.41 0.00 -1.73 0.00 0.00 68.15 68.35 1hl5 h THR 54 CO 0.21 0.00 -0.60 0.00 -0.25 0.00 0.00 175.52 174.89 1hl5 n ALA 55 N -2.52 5.18 -0.96 6.62 0.00 -1.26 -5.05 120.51 122.52 1hl5 n ALA 55 Ca -0.02 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1hl5 n ALA 55 Cb 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.50 1.49 0.24 0.00 0.00 -0.80 -2.95 105.19 102.68 1hl5 n GLY 56 Ca 0.40 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 1.23 0.00 0.00 2.02 -1.87 -2.47 112.91 111.81 1hl5 h THR 58 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1hl5 h THR 58 Cb 0.57 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1hl5 h THR 58 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1hl5 n SER 59 N -4.38 0.00 0.02 4.18 3.41 -1.19 -2.79 113.62 112.87 1hl5 n SER 59 Ca 0.09 -0.87 0.10 0.00 -0.26 0.00 0.00 58.87 57.93 1hl5 n SER 59 Cb 0.05 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.98 1.91 -0.31 7.33 0.00 -0.93 -4.44 120.51 123.09 1hl5 n ALA 60 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1hl5 n ALA 60 Cb 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.55 -0.81 1.38 0.00 0.00 -1.12 -1.12 105.19 104.07 1hl5 n GLY 61 Ca 0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.05 -0.01 -1.92 1.61 -0.04 -1.26 -4.56 135.00 128.78 1hl5 n PRO 62 Ca 0.00 -0.86 -0.40 0.00 -0.04 0.00 0.00 63.50 62.20 1hl5 n PRO 62 Cb 0.00 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 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 -1.43 2.66 0.02 0.54 3.76 -1.26 -0.47 115.29 119.11 1hl5 s HIS 63 Ca 0.25 1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 1hl5 s HIS 63 Cb -0.01 -3.82 -0.08 0.00 1.11 0.00 0.00 32.58 29.78 1hl5 s HIS 63 CO 0.17 -2.54 1.84 0.12 -0.85 0.00 0.00 174.74 173.49 1hl5 s PHE 64 N -1.21 1.64 -0.42 1.40 5.36 -0.25 -4.53 117.98 119.97 1hl5 s PHE 64 Ca 0.57 -0.18 0.08 0.00 -0.96 0.00 0.00 56.93 56.44 1hl5 s PHE 64 Cb -0.42 -4.13 0.30 0.00 -0.34 0.00 0.00 43.02 38.44 1hl5 s PHE 64 CO 0.54 -4.91 0.83 -1.71 -1.46 0.00 0.00 175.22 168.52 1hl5 n ASN 65 N 7.10 -0.88 0.26 6.13 5.15 -1.26 -1.13 115.26 130.63 1hl5 n ASN 65 Ca 0.19 -3.21 0.17 0.00 -0.60 0.00 0.00 54.58 51.13 1hl5 n ASN 65 Cb 0.41 0.55 0.66 0.00 -0.53 0.00 0.00 39.78 40.88 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 3.36 0.00 -0.17 1.20 0.13 -1.94 -1.95 132.00 132.63 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 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1hl5 h PRO 66 CO 0.35 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.40 1hl5 n LEU 67 N -2.96 1.98 -3.80 1.56 4.77 -1.26 -4.98 117.00 112.32 1hl5 n LEU 67 Ca 0.01 -0.80 -0.27 0.00 -0.03 0.00 0.00 56.01 54.92 1hl5 n LEU 67 Cb 0.29 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1hl5 n LEU 67 CO 0.26 0.40 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.38 1hl5 n SER 68 N 0.53 -2.38 -4.89 -1.43 7.64 -0.73 -5.01 113.62 107.35 1hl5 n SER 68 Ca 0.17 -0.97 -0.23 0.00 1.01 0.00 0.00 58.87 58.84 1hl5 n SER 68 Cb 0.39 -3.39 -0.02 0.00 -1.01 0.00 0.00 64.21 60.18 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 -6.21 2.37 0.56 1.43 0.52 -1.26 -5.13 118.95 111.23 1hl5 s ARG 69 Ca 0.18 -1.78 -0.05 0.00 -0.52 0.00 0.00 55.73 53.56 1hl5 s ARG 69 Cb -0.06 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1hl5 s ARG 69 CO 0.86 -0.43 0.86 0.15 0.02 0.00 0.00 175.30 176.77 1hl5 s LYS 70 N -4.22 3.00 0.39 3.54 1.02 -1.26 -4.71 119.74 117.50 1hl5 s LYS 70 Ca 0.43 -0.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 1hl5 s LYS 70 Cb -0.02 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1hl5 s LYS 70 CO 0.26 -0.60 1.40 -1.58 -0.92 0.00 0.00 175.35 173.90 1hl5 s HIS 71 N -2.92 2.70 0.00 3.18 5.65 -0.52 -3.19 115.29 120.19 1hl5 s HIS 71 Ca 0.53 1.29 -0.00 0.00 0.25 0.00 0.00 55.06 57.13 1hl5 s HIS 71 Cb -0.10 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 1hl5 s HIS 71 CO 0.44 -2.55 0.00 0.41 -0.65 0.00 0.00 174.74 172.40 1hl5 n GLY 72 N 0.60 2.45 3.94 1.59 0.00 -1.25 -4.41 105.19 108.11 1hl5 n GLY 72 Ca 0.02 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.00 1.62 0.55 -0.02 0.00 -1.23 -4.72 107.32 102.52 1hl5 s GLY 73 Ca 0.00 -0.95 0.22 0.00 0.00 0.00 0.00 44.72 43.98 1hl5 s GLY 73 CO 0.00 -0.71 2.17 -0.56 0.00 0.00 0.00 173.10 174.00 1hl5 h PRO 74 N 0.09 0.00 -0.00 2.90 0.13 -1.86 -0.81 132.00 132.45 1hl5 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hl5 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hl5 h PRO 74 CO 0.58 0.00 -0.01 1.63 -0.23 0.00 0.00 178.00 179.97 1hl5 n LYS 75 N -4.27 0.11 -3.00 0.86 5.02 -1.26 -4.85 118.16 110.77 1hl5 n LYS 75 Ca -0.02 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1hl5 n LYS 75 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.89 7.21 0.14 4.39 1.01 -0.31 -4.97 116.67 121.26 1hl5 s ASP 76 Ca 0.18 1.57 -0.14 0.00 0.71 0.00 0.00 52.55 54.87 1hl5 s ASP 76 Cb 0.19 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1hl5 s ASP 76 CO 0.51 0.07 1.60 -0.08 0.21 0.00 0.00 175.17 177.48 1hl5 h GLU 77 N 3.64 0.77 -5.78 8.23 4.57 -1.89 -3.36 114.58 120.77 1hl5 h GLU 77 Ca -0.47 -0.23 -0.61 0.00 -1.18 0.00 0.00 59.36 56.86 1hl5 h GLU 77 Cb 1.20 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.59 1hl5 h GLU 77 CO 0.65 0.82 0.99 -2.00 -1.18 0.00 0.00 179.01 178.30 1hl5 s GLU 78 N -5.08 3.36 0.20 1.92 2.56 -1.26 -4.92 118.70 115.48 1hl5 s GLU 78 Ca -0.13 -0.94 -0.16 0.00 0.00 0.00 0.00 54.97 53.74 1hl5 s GLU 78 Cb 0.11 -4.65 0.02 0.00 2.00 0.00 0.00 34.13 31.60 1hl5 s GLU 78 CO 0.80 -2.00 0.50 -0.98 -0.56 0.00 0.00 175.26 173.02 1hl5 s ARG 79 N 4.47 1.39 0.43 4.30 1.70 -1.20 -3.77 118.95 126.28 1hl5 s ARG 79 Ca 0.34 -0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 54.47 1hl5 s ARG 79 Cb -0.08 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 1hl5 s ARG 79 CO 0.02 -0.58 0.91 -1.01 -1.08 0.00 0.00 175.30 173.56 1hl5 s HIS 80 N -3.90 3.36 0.32 5.89 3.76 -1.19 -4.65 115.29 118.88 1hl5 s HIS 80 Ca 0.12 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.55 1hl5 s HIS 80 Cb -0.01 -2.76 0.66 0.00 1.11 0.00 0.00 32.58 31.58 1hl5 s HIS 80 CO -0.01 -0.14 1.87 0.28 -0.85 0.00 0.00 174.74 175.90 1hl5 h VAL 81 N 1.63 0.93 0.00 -0.90 2.07 -1.84 -1.53 116.25 116.61 1hl5 h VAL 81 Ca -0.48 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1hl5 h VAL 81 Cb 1.18 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1hl5 h VAL 81 CO 0.62 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1hl5 n GLY 82 N -1.40 -0.91 3.52 2.17 0.00 -0.28 -4.35 105.19 103.94 1hl5 n GLY 82 Ca 0.17 -0.05 -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 -1.32 6.56 -0.02 1.61 1.01 -0.58 -0.81 116.67 123.11 1hl5 s ASP 83 Ca 0.11 -1.69 0.16 0.00 0.71 0.00 0.00 52.55 51.84 1hl5 s ASP 83 Cb 0.05 -2.50 0.50 0.00 1.01 0.00 0.00 42.92 41.98 1hl5 s ASP 83 CO 0.08 -1.33 1.41 0.18 0.21 0.00 0.00 175.17 175.72 1hl5 n LEU 84 N 7.98 3.17 0.00 1.23 4.77 -1.09 -3.37 117.00 129.69 1hl5 n LEU 84 Ca 0.30 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1hl5 n LEU 84 Cb 0.50 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1hl5 n LEU 84 CO 0.60 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1hl5 n GLY 85 N 1.26 0.32 3.56 -0.72 0.00 -1.21 -4.79 105.19 103.60 1hl5 n GLY 85 Ca 0.19 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 4.14 0.15 1.61 0.01 -1.26 -0.89 114.94 114.71 1hl5 s ASN 86 Ca 0.00 -0.66 0.09 0.00 -0.71 0.00 0.00 52.86 51.58 1hl5 s ASN 86 Cb 0.00 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.97 1hl5 s ASN 86 CO 0.00 0.09 -0.16 0.68 -1.51 0.00 0.00 177.10 176.19 1hl5 s VAL 87 N -1.86 2.88 -0.19 1.60 -7.23 0.15 -4.90 120.40 110.85 1hl5 s VAL 87 Ca 0.26 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1hl5 s VAL 87 Cb -0.08 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1hl5 s VAL 87 CO 0.15 -0.02 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.95 1hl5 s THR 88 N -1.44 3.18 0.07 5.32 2.01 -1.26 -0.63 115.64 122.88 1hl5 s THR 88 Ca 0.21 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1hl5 s THR 88 Cb -0.09 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.95 1hl5 s THR 88 CO 0.12 0.47 0.47 0.00 -0.69 0.00 0.00 174.62 174.99 1hl5 s ALA 89 N 1.07 3.66 0.82 7.40 0.00 -0.16 -4.24 121.76 130.30 1hl5 s ALA 89 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1hl5 s ALA 89 Cb -0.15 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.61 1hl5 s ALA 89 CO -0.01 0.48 0.45 -0.40 0.00 0.00 0.00 175.76 176.28 1hl5 n ASP 90 N 1.33 0.21 0.10 0.00 5.68 0.48 -1.18 116.55 123.17 1hl5 n ASP 90 Ca -0.10 -1.27 0.10 0.00 -0.50 0.00 0.00 54.79 53.03 1hl5 n ASP 90 Cb 0.52 -0.33 0.45 0.00 -1.14 0.00 0.00 41.12 40.62 1hl5 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1hl5 n LYS 91 N -1.92 0.14 -0.22 0.11 -0.00 -1.26 -0.86 118.16 114.16 1hl5 n LYS 91 Ca 0.06 0.42 0.10 0.00 -0.00 0.00 0.00 58.31 58.89 1hl5 n LYS 91 Cb 0.22 -1.80 0.26 0.00 -0.00 0.00 0.00 35.03 33.71 1hl5 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hl5 n ASP 92 N -2.07 2.87 0.00 -5.58 8.00 -1.26 -4.92 116.55 113.59 1hl5 n ASP 92 Ca 0.02 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1hl5 n ASP 92 Cb 0.19 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.38 0.45 3.57 0.44 0.00 -0.04 -4.71 105.19 106.28 1hl5 n GLY 93 Ca 0.18 -0.56 -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 4.61 -0.34 1.61 1.01 -1.25 -1.84 120.40 122.20 1hl5 s VAL 94 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1hl5 s VAL 94 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1hl5 s VAL 94 CO 0.00 0.42 0.16 0.00 0.00 0.00 0.00 175.10 175.68 1hl5 s ALA 95 N 0.79 3.21 -0.98 5.51 0.00 0.18 -0.39 121.76 130.08 1hl5 s ALA 95 Ca 0.03 -1.61 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 1hl5 s ALA 95 Cb -0.14 -2.43 0.16 0.00 0.00 0.00 0.00 23.12 20.71 1hl5 s ALA 95 CO 0.02 -1.21 1.14 -0.51 0.00 0.00 0.00 175.76 175.20 1hl5 s ASP 96 N 1.53 6.78 0.29 0.00 -0.00 -1.26 -0.95 116.67 123.06 1hl5 s ASP 96 Ca 0.02 -2.43 -0.29 0.00 -0.00 0.00 0.00 52.55 49.85 1hl5 s ASP 96 Cb -0.18 -2.36 -0.10 0.00 -0.00 0.00 0.00 42.92 40.28 1hl5 s ASP 96 CO 0.05 -0.88 1.27 -0.69 -0.00 0.00 0.00 175.17 174.92 1hl5 s VAL 97 N 1.86 2.96 -0.33 -1.27 1.01 0.43 -4.90 120.40 120.15 1hl5 s VAL 97 Ca 0.33 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.28 1hl5 s VAL 97 Cb -0.05 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 32.92 1hl5 s VAL 97 CO -0.07 0.20 0.54 -0.55 0.00 0.00 0.00 175.10 175.22 1hl5 s SER 98 N -0.38 -0.90 0.07 3.32 0.15 -1.25 -2.39 113.70 112.32 1hl5 s SER 98 Ca 0.50 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1hl5 s SER 98 Cb -0.38 1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.58 1hl5 s SER 98 CO 0.47 -0.27 -0.13 -0.63 1.20 0.00 0.00 173.24 173.89 1hl5 s ILE 99 N 2.37 1.02 -0.03 6.45 1.01 0.31 -5.00 121.20 127.33 1hl5 s ILE 99 Ca 0.12 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.46 1hl5 s ILE 99 Cb -0.09 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1hl5 s ILE 99 CO -0.20 -0.31 -0.13 -0.70 0.00 0.00 0.00 174.94 173.60 1hl5 s GLU 100 N -1.93 1.33 -0.04 2.79 2.12 -1.26 -0.42 118.70 121.29 1hl5 s GLU 100 Ca -0.01 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.81 1hl5 s GLU 100 Cb -0.09 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.12 1hl5 s GLU 100 CO 0.02 0.18 0.15 0.34 -0.54 0.00 0.00 175.26 175.41 1hl5 s ASP 101 N 0.09 -0.11 0.00 -1.70 2.15 -0.22 -4.95 116.67 111.94 1hl5 s ASP 101 Ca -0.03 0.17 0.12 0.00 0.43 0.00 0.00 52.55 53.24 1hl5 s ASP 101 Cb -0.10 0.29 0.09 0.00 -0.30 0.00 0.00 42.92 42.91 1hl5 s ASP 101 CO 0.01 -0.14 0.87 -1.20 -0.17 0.00 0.00 175.17 174.54 1hl5 n SER 102 N 2.56 1.97 -0.07 -0.34 7.64 -1.26 -0.32 113.62 123.81 1hl5 n SER 102 Ca -0.15 -1.49 -0.22 0.00 1.01 0.00 0.00 58.87 58.01 1hl5 n SER 102 Cb 0.58 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.66 1.62 -0.98 0.44 0.31 -1.26 -4.86 118.33 114.25 1hl5 n VAL 103 Ca 0.07 -0.35 -0.29 0.00 -0.01 0.00 0.00 64.34 63.76 1hl5 n VAL 103 Cb 0.29 -1.85 0.19 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.47 2.14 0.16 2.52 -4.36 -1.26 -4.85 121.20 113.09 1hl5 s ILE 104 Ca -0.29 0.04 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 1hl5 s ILE 104 Cb 0.08 -2.40 0.04 0.00 1.25 0.00 0.00 42.46 41.43 1hl5 s ILE 104 CO 0.64 -0.06 0.49 -0.55 0.24 0.00 0.00 174.94 175.70 1hl5 s SER 105 N -3.17 -0.31 -0.08 4.36 0.15 -0.92 -4.72 113.70 109.01 1hl5 s SER 105 Ca 0.66 -0.33 0.18 0.00 0.70 0.00 0.00 55.95 57.16 1hl5 s SER 105 Cb -0.20 0.54 0.62 0.00 -1.71 0.00 0.00 66.02 65.27 1hl5 s SER 105 CO 0.59 -0.96 1.54 0.18 1.20 0.00 0.00 173.24 175.79 1hl5 n LEU 106 N -0.30 4.27 -3.85 3.45 4.77 -1.26 -1.50 117.00 122.57 1hl5 n LEU 106 Ca -0.14 -2.37 -0.08 0.00 -0.03 0.00 0.00 56.01 53.40 1hl5 n LEU 106 Cb 0.63 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1hl5 n LEU 106 CO 0.16 0.81 0.43 -0.94 -1.33 0.00 0.00 177.39 176.52 1hl5 s SER 107 N -1.05 -0.26 0.32 -1.43 1.04 -1.26 -4.85 113.70 106.21 1hl5 s SER 107 Ca 0.45 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1hl5 s SER 107 Cb 0.29 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1hl5 s SER 107 CO 0.23 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1hl5 n GLY 108 N -0.44 -0.92 0.22 7.32 0.00 -1.26 -3.76 105.19 106.34 1hl5 n GLY 108 Ca -0.05 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 -0.77 1.61 3.45 -2.01 -2.41 116.42 116.29 1hl5 h ASP 109 Ca 0.00 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.12 1hl5 h ASP 109 Cb 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 38.57 1hl5 h ASP 109 CO 0.00 0.22 0.38 1.41 -1.57 0.00 0.00 179.24 179.68 1hl5 n HIS 110 N -4.26 2.45 -2.03 4.55 8.25 -1.26 -4.99 115.22 117.92 1hl5 n HIS 110 Ca -0.02 -1.54 -0.41 0.00 -0.26 0.00 0.00 57.72 55.48 1hl5 n HIS 110 Cb 0.28 -0.76 -0.02 0.00 1.12 0.00 0.00 29.99 30.61 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 2.38 0.14 -1.77 0.00 -5.35 -0.56 -4.91 119.36 109.30 1hl5 n ILE 112 Ca 0.07 -0.57 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 1hl5 n ILE 112 Cb 0.40 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 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 -1.15 2.12 0.00 7.28 -1.09 -1.26 -1.49 121.20 125.61 1hl5 s ILE 113 Ca 0.18 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1hl5 s ILE 113 Cb 0.12 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1hl5 s ILE 113 CO 0.18 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 1hl5 n GLY 114 N 3.32 0.73 2.76 6.18 0.00 0.47 -4.99 105.19 113.66 1hl5 n GLY 114 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.50 0.74 -4.86 1.61 1.74 -0.56 -2.52 116.66 110.31 1hl5 n ARG 115 Ca 0.00 -2.24 -0.33 0.00 -0.77 0.00 0.00 57.85 54.52 1hl5 n ARG 115 Cb 0.00 -0.13 -0.15 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.59 2.88 -0.05 0.55 2.01 -1.07 -0.36 115.64 118.01 1hl5 s THR 116 Ca 0.41 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1hl5 s THR 116 Cb -0.03 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 1hl5 s THR 116 CO 0.26 0.54 0.44 -0.22 -0.69 0.00 0.00 174.62 174.94 1hl5 s LEU 117 N 0.26 4.39 -0.03 4.42 2.96 -0.44 0.30 118.68 130.54 1hl5 s LEU 117 Ca -0.10 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.75 1hl5 s LEU 117 Cb -0.16 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 1hl5 s LEU 117 CO 0.06 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 1hl5 s VAL 118 N -0.39 1.33 -0.09 1.68 1.01 0.21 -2.24 120.40 121.92 1hl5 s VAL 118 Ca 0.24 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1hl5 s VAL 118 Cb -0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1hl5 s VAL 118 CO 0.12 0.38 -0.11 0.54 0.00 0.00 0.00 175.10 176.04 1hl5 s VAL 119 N -0.06 3.34 0.40 2.92 0.11 -0.60 -1.73 120.40 124.78 1hl5 s VAL 119 Ca -0.01 -0.60 0.08 0.00 -2.93 0.00 0.00 61.98 58.52 1hl5 s VAL 119 Cb -0.10 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1hl5 s VAL 119 CO 0.01 0.57 0.29 -1.00 -3.33 0.00 0.00 175.10 171.63 1hl5 s HIS 120 N -0.37 2.70 0.21 1.54 3.76 -0.02 -0.71 115.29 122.40 1hl5 s HIS 120 Ca 0.05 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 1hl5 s HIS 120 Cb -0.12 -2.01 0.15 0.00 1.11 0.00 0.00 32.58 31.71 1hl5 s HIS 120 CO 0.02 0.05 1.84 1.49 -0.85 0.00 0.00 174.74 177.30 1hl5 h GLU 121 N 1.22 1.03 -5.02 1.40 4.81 -0.80 -3.38 114.58 113.84 1hl5 h GLU 121 Ca -0.42 -0.10 -0.44 0.00 -0.13 0.00 0.00 59.36 58.26 1hl5 h GLU 121 Cb 1.26 -0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.29 1hl5 h GLU 121 CO 0.62 0.74 -0.58 0.15 -0.73 0.00 0.00 179.01 179.20 1hl5 s LYS 122 N -5.94 1.62 0.52 1.92 1.02 -0.42 -4.91 119.74 113.56 1hl5 s LYS 122 Ca -0.13 -1.92 -0.22 0.00 0.02 0.00 0.00 55.97 53.72 1hl5 s LYS 122 Cb 0.15 -0.50 -0.06 0.00 -0.52 0.00 0.00 37.83 36.91 1hl5 s LYS 122 CO 0.79 -0.33 1.29 0.00 -0.92 0.00 0.00 175.35 176.19 1hl5 s ALA 123 N -3.47 2.85 -0.15 5.17 0.00 -1.12 -1.02 121.76 124.02 1hl5 s ALA 123 Ca 0.34 1.20 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 1hl5 s ALA 123 Cb 0.07 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1hl5 s ALA 123 CO 0.15 -1.15 0.77 0.34 0.00 0.00 0.00 175.76 175.88 1hl5 s ASP 124 N -1.10 6.93 0.00 0.00 -1.08 -1.26 -3.91 116.67 116.24 1hl5 s ASP 124 Ca 0.69 1.13 0.23 0.00 -0.52 0.00 0.00 52.55 54.09 1hl5 s ASP 124 Cb -0.36 -2.43 1.32 0.00 -1.46 0.00 0.00 42.92 39.99 1hl5 s ASP 124 CO 0.43 -0.31 1.86 -0.90 0.52 0.00 0.00 175.17 176.77 1hl5 n ASP 125 N 4.86 0.21 -1.60 -0.34 5.68 0.67 -4.88 116.55 121.15 1hl5 n ASP 125 Ca 0.02 -1.32 -0.17 0.00 -0.50 0.00 0.00 54.79 52.83 1hl5 n ASP 125 Cb 0.50 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.72 -1.49 0.00 -2.12 4.77 -1.26 -1.83 117.00 114.35 1hl5 n LEU 126 Ca 0.17 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1hl5 n LEU 126 Cb 0.11 -2.45 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 1hl5 n LEU 126 CO 0.13 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.25 1hl5 n GLY 127 N -0.95 0.71 1.44 -0.72 0.00 -1.25 -3.49 105.19 100.92 1hl5 n GLY 127 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.52 3.81 0.00 1.61 5.02 -0.76 -4.62 118.16 120.71 1hl5 n LYS 128 Ca 0.00 -2.88 0.14 0.00 -2.02 0.00 0.00 58.31 53.55 1hl5 n LYS 128 Cb 0.00 -1.93 0.61 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.60 -0.48 2.08 0.72 0.00 -1.26 -4.95 105.19 101.90 1hl5 n GLY 129 Ca 0.24 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 1.18 0.58 3.39 -0.02 0.00 -1.26 -4.96 105.19 104.10 1hl5 n GLY 130 Ca 0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.94 0.35 0.22 1.61 2.20 -1.26 -5.04 114.94 110.08 1hl5 s ASN 131 Ca 0.00 -1.29 -0.09 0.00 -0.94 0.00 0.00 52.86 50.54 1hl5 s ASN 131 Cb 0.00 0.51 0.22 0.00 -2.00 0.00 0.00 41.25 39.98 1hl5 s ASN 131 CO 0.00 -1.04 1.87 -0.08 -2.94 0.00 0.00 177.10 174.91 1hl5 h GLU 132 N 2.36 0.97 -0.65 3.55 4.81 -2.00 -2.28 114.58 121.35 1hl5 h GLU 132 Ca -0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1hl5 h GLU 132 Cb 1.25 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1hl5 h GLU 132 CO 0.43 0.64 0.41 1.49 -0.73 0.00 0.00 179.01 181.26 1hl5 h GLU 133 N 1.00 0.87 -0.88 1.92 4.57 -1.99 -1.16 114.58 118.92 1hl5 h GLU 133 Ca 0.31 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1hl5 h GLU 133 Cb -0.01 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 1hl5 h GLU 133 CO -0.10 0.60 0.57 1.03 -1.18 0.00 0.00 179.01 179.93 1hl5 h SER 134 N 0.89 0.89 0.29 1.04 0.87 -1.75 0.67 113.55 116.45 1hl5 h SER 134 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1hl5 h SER 134 Cb -0.07 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1hl5 h SER 134 CO -0.05 0.58 0.00 0.35 -0.53 0.00 0.00 176.83 177.19 1hl5 n THR 135 N -4.48 0.00 -0.06 2.23 -2.24 -0.46 -2.38 114.28 106.90 1hl5 n THR 135 Ca 0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1hl5 n THR 135 Cb 0.18 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.14 0.25 0.00 -0.78 5.02 -0.43 -1.44 118.16 119.64 1hl5 n LYS 136 Ca 0.19 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1hl5 n LYS 136 Cb 0.18 -0.95 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 -3.44 0.10 -1.20 -0.18 -2.24 0.10 -4.67 114.28 102.75 1hl5 n THR 137 Ca -0.23 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.17 1hl5 n THR 137 Cb 0.67 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 70.20 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 -0.05 0.83 2.84 3.38 0.00 -1.00 -3.08 105.19 108.10 1hl5 n GLY 138 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.29 -5.88 -0.01 1.61 3.02 -1.25 -0.24 115.26 112.22 1hl5 n ASN 139 Ca -0.07 -0.20 0.15 0.00 -0.03 0.00 0.00 54.58 54.44 1hl5 n ASN 139 Cb 0.36 -4.80 0.84 0.00 -0.61 0.00 0.00 39.78 35.56 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 -3.06 2.60 -0.28 5.41 0.00 -1.18 -4.73 120.51 119.27 1hl5 n ALA 140 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1hl5 n ALA 140 Cb 0.64 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.15 -0.31 3.70 0.00 0.00 -1.26 -1.30 105.19 107.18 1hl5 n GLY 141 Ca 0.19 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 3.32 -0.50 1.61 1.04 -1.26 -4.56 113.70 109.35 1hl5 s SER 142 Ca 0.00 1.55 -0.18 0.00 0.48 0.00 0.00 55.95 57.80 1hl5 s SER 142 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 66.02 63.96 1hl5 s SER 142 CO 0.00 -2.74 0.57 -0.13 0.98 0.00 0.00 173.24 171.92 1hl5 s ARG 143 N -4.88 3.08 0.09 4.02 0.52 -1.26 -0.68 118.95 119.84 1hl5 s ARG 143 Ca 0.64 -1.02 -0.10 0.00 -0.52 0.00 0.00 55.73 54.73 1hl5 s ARG 143 Cb -0.19 -4.11 -0.19 0.00 0.52 0.00 0.00 34.95 30.98 1hl5 s ARG 143 CO 0.57 -1.18 1.22 -0.07 0.02 0.00 0.00 175.30 175.86 1hl5 h LEU 144 N 9.47 0.74 -7.26 2.53 3.38 -1.21 -3.45 115.31 119.50 1hl5 h LEU 144 Ca -0.28 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 1hl5 h LEU 144 Cb 1.10 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.46 1hl5 h LEU 144 CO 0.95 1.42 -0.01 0.00 0.09 0.00 0.00 178.44 180.89 1hl5 s ALA 145 N -3.21 -1.20 0.27 1.53 0.00 -1.14 -3.75 121.76 114.26 1hl5 s ALA 145 Ca -0.08 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 1hl5 s ALA 145 Cb 0.07 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1hl5 s ALA 145 CO 0.90 -0.52 0.68 0.00 0.00 0.00 0.00 175.76 176.82 1hl5 s GLY 147 N -2.92 -0.48 0.12 0.00 0.00 -0.95 -1.65 107.32 101.43 1hl5 s GLY 147 Ca 0.12 0.61 -0.24 0.00 0.00 0.00 0.00 44.72 45.21 1hl5 s GLY 147 CO 0.06 0.20 0.72 0.14 0.00 0.00 0.00 173.10 174.22 1hl5 s VAL 148 N -3.47 4.54 -0.23 1.40 1.01 -1.26 -1.33 120.40 121.07 1hl5 s VAL 148 Ca 0.04 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1hl5 s VAL 148 Cb -0.01 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1hl5 s VAL 148 CO -0.09 0.50 1.05 -0.63 0.00 0.00 0.00 175.10 175.93 1hl5 s ILE 149 N -0.90 4.66 0.24 2.22 1.01 0.51 -4.53 121.20 124.41 1hl5 s ILE 149 Ca 0.35 2.00 0.12 0.00 0.00 0.00 0.00 60.65 63.11 1hl5 s ILE 149 Cb -0.22 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 1hl5 s ILE 149 CO 0.24 -0.18 -0.20 -0.83 0.00 0.00 0.00 174.94 173.96 1hl5 s GLY 150 N 1.25 1.81 0.16 6.18 0.00 0.16 -0.40 107.32 116.48 1hl5 s GLY 150 Ca 0.45 -1.77 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 1hl5 s GLY 150 CO 0.07 -1.83 1.34 -0.42 0.00 0.00 0.00 173.10 172.25 1hl5 s ILE 151 N -2.17 3.28 0.20 0.90 1.01 -1.26 -0.68 121.20 122.48 1hl5 s ILE 151 Ca 0.27 0.99 0.08 0.00 0.00 0.00 0.00 60.65 61.98 1hl5 s ILE 151 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1hl5 s ILE 151 CO 0.13 0.11 0.01 0.00 0.00 0.00 0.00 174.94 175.20 1hl5 s ALA 152 N 0.56 3.22 -2.00 9.38 0.00 -0.67 -4.80 121.76 127.46 1hl5 s ALA 152 Ca 0.60 -1.44 0.23 0.00 0.00 0.00 0.00 51.96 51.35 1hl5 s ALA 152 Cb -0.36 -0.96 1.39 0.00 0.00 0.00 0.00 23.12 23.19 1hl5 s ALA 152 CO 0.35 0.41 1.76 0.94 0.00 0.00 0.00 175.76 179.21