#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 3.52 0.06 0.00 -1.32 -0.10 -4.99 115.64 112.82 1hl5 s THR 2 Ca 0.00 -1.16 0.04 0.00 -1.21 0.00 0.00 61.69 59.37 1hl5 s THR 2 Cb 0.00 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1hl5 s THR 2 CO 0.00 0.15 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.90 1hl5 s LYS 3 N -2.13 0.72 0.07 7.08 1.02 -1.26 -1.36 119.74 123.87 1hl5 s LYS 3 Ca 0.22 -0.89 -0.10 0.00 0.02 0.00 0.00 55.97 55.22 1hl5 s LYS 3 Cb -0.11 -0.64 0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1hl5 s LYS 3 CO 0.14 0.14 0.22 0.00 -0.92 0.00 0.00 175.35 174.92 1hl5 s ALA 4 N -1.31 -0.37 0.05 5.17 0.00 0.53 -1.67 121.76 124.16 1hl5 s ALA 4 Ca -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1hl5 s ALA 4 Cb -0.10 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1hl5 s ALA 4 CO 0.02 -0.45 0.13 0.54 0.00 0.00 0.00 175.76 176.00 1hl5 s VAL 5 N -3.19 0.13 -0.03 0.00 0.11 0.34 0.84 120.40 118.60 1hl5 s VAL 5 Ca -0.00 -1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 57.94 1hl5 s VAL 5 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1hl5 s VAL 5 CO -0.07 -0.60 0.07 0.00 -3.33 0.00 0.00 175.10 171.17 1hl5 s VAL 7 N 0.53 3.81 -0.15 0.00 1.01 -1.26 -0.85 120.40 123.48 1hl5 s VAL 7 Ca -0.04 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1hl5 s VAL 7 Cb -0.06 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1hl5 s VAL 7 CO -0.02 0.00 0.77 -0.76 0.00 0.00 0.00 175.10 175.09 1hl5 s LEU 8 N 1.45 4.20 0.01 3.92 1.02 -0.08 -3.72 118.68 125.48 1hl5 s LEU 8 Ca 0.01 1.11 -0.01 0.00 0.02 0.00 0.00 54.13 55.26 1hl5 s LEU 8 Cb -0.18 -3.14 -0.01 0.00 0.02 0.00 0.00 46.19 42.88 1hl5 s LEU 8 CO 0.02 -0.32 0.00 -0.54 0.02 0.00 0.00 176.35 175.54 1hl5 s LYS 9 N 1.82 0.23 0.00 1.70 1.02 -0.33 -2.69 119.74 121.49 1hl5 s LYS 9 Ca 0.36 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1hl5 s LYS 9 Cb -0.17 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 1hl5 s LYS 9 CO 0.13 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1hl5 n GLY 10 N 2.08 3.39 0.00 -3.33 0.00 -1.24 -1.64 105.19 104.45 1hl5 n GLY 10 Ca -0.20 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.58 1hl5 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hl5 n ASP 11 N -1.94 0.08 0.00 1.61 8.00 -1.26 -4.89 116.55 118.16 1hl5 n ASP 11 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1hl5 n ASP 11 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1hl5 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl5 n GLY 12 N 1.49 5.07 0.01 0.44 0.00 -1.26 -5.02 105.19 105.92 1hl5 n GLY 12 Ca 0.07 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1hl5 n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hl5 n PRO 13 N 0.00 0.02 -2.28 1.61 -0.02 -1.26 -4.85 135.00 128.21 1hl5 n PRO 13 Ca 0.00 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 1hl5 n PRO 13 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1hl5 n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hl5 s VAL 14 N -3.01 3.85 -0.07 -1.45 1.01 -1.26 -4.29 120.40 115.19 1hl5 s VAL 14 Ca 0.13 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 1hl5 s VAL 14 Cb 0.18 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1hl5 s VAL 14 CO 0.52 -0.00 0.65 0.00 0.00 0.00 0.00 175.10 176.27 1hl5 s GLN 15 N 2.35 1.01 0.19 2.72 -2.07 -0.77 -3.72 119.66 119.37 1hl5 s GLN 15 Ca 0.62 0.29 -0.22 0.00 -1.82 0.00 0.00 55.36 54.23 1hl5 s GLN 15 Cb -0.30 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.17 1hl5 s GLN 15 CO 0.25 -0.30 1.04 0.20 -1.32 0.00 0.00 175.29 175.16 1hl5 s GLY 16 N -1.05 0.12 -0.05 2.60 0.00 -1.10 -0.44 107.32 107.40 1hl5 s GLY 16 Ca -0.10 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1hl5 s GLY 16 CO 0.09 2.51 -0.08 -0.42 0.00 0.00 0.00 173.10 175.20 1hl5 s ILE 17 N -2.16 0.76 -0.13 0.90 1.01 -0.37 -0.90 121.20 120.31 1hl5 s ILE 17 Ca 0.22 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1hl5 s ILE 17 Cb -0.03 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.72 1hl5 s ILE 17 CO 0.05 0.27 -0.17 -0.63 0.00 0.00 0.00 174.94 174.47 1hl5 s ILE 18 N 0.77 1.68 0.04 2.92 -1.09 -0.03 -1.87 121.20 123.61 1hl5 s ILE 18 Ca -0.12 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 57.51 1hl5 s ILE 18 Cb -0.15 -1.53 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1hl5 s ILE 18 CO 0.02 0.48 0.26 0.20 -1.23 0.00 0.00 174.94 174.67 1hl5 s ASN 19 N 1.07 6.45 -0.04 3.58 -0.87 0.27 -0.39 114.94 125.00 1hl5 s ASN 19 Ca -0.04 0.47 0.03 0.00 -1.57 0.00 0.00 52.86 51.76 1hl5 s ASN 19 Cb -0.14 -2.05 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 1hl5 s ASN 19 CO -0.04 0.20 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.19 1hl5 s PHE 20 N -1.41 1.48 -0.01 2.20 0.40 0.25 -1.27 117.98 119.61 1hl5 s PHE 20 Ca 0.32 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1hl5 s PHE 20 Cb -0.13 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1hl5 s PHE 20 CO 0.21 -0.17 0.00 -2.00 0.70 0.00 0.00 175.22 173.96 1hl5 s GLU 21 N 0.18 0.09 -0.08 0.44 2.12 -0.59 -0.35 118.70 120.51 1hl5 s GLU 21 Ca -0.06 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 1hl5 s GLU 21 Cb -0.11 -0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.12 1hl5 s GLU 21 CO 0.02 -0.05 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.52 1hl5 s GLN 22 N 0.40 0.99 0.03 4.30 0.74 -0.46 -0.80 119.66 124.87 1hl5 s GLN 22 Ca -0.03 -0.06 -0.14 0.00 0.05 0.00 0.00 55.36 55.18 1hl5 s GLN 22 Cb -0.05 -1.20 -0.35 0.00 1.10 0.00 0.00 33.01 32.51 1hl5 s GLN 22 CO -0.01 -0.26 1.01 0.87 -0.55 0.00 0.00 175.29 176.35 1hl5 h LYS 23 N 8.13 0.51 -4.90 1.67 1.57 -1.84 -0.23 116.57 121.48 1hl5 h LYS 23 Ca -0.25 -0.87 -0.29 0.00 -1.87 0.00 0.00 60.65 57.37 1hl5 h LYS 23 Cb 1.13 0.32 -0.15 0.00 0.08 0.00 0.00 32.23 33.61 1hl5 h LYS 23 CO 0.34 1.41 -0.71 -1.21 -0.57 0.00 0.00 179.45 178.71 1hl5 s GLU 24 N -2.61 0.95 0.30 3.15 0.41 -1.26 -3.75 118.70 115.90 1hl5 s GLU 24 Ca -0.09 -1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 52.80 1hl5 s GLU 24 Cb 0.04 -0.45 -0.11 0.00 -1.78 0.00 0.00 34.13 31.83 1hl5 s GLU 24 CO 0.94 0.04 1.46 0.45 -0.49 0.00 0.00 175.26 177.66 1hl5 s SER 25 N -3.06 6.54 0.00 -0.19 0.15 -1.26 -1.09 113.70 114.79 1hl5 s SER 25 Ca 0.14 2.83 0.00 0.00 0.70 0.00 0.00 55.95 59.61 1hl5 s SER 25 Cb 0.03 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1hl5 s SER 25 CO -0.02 -0.76 0.00 0.59 1.20 0.00 0.00 173.24 174.26 1hl5 n ASN 26 N 1.56 -0.52 -4.59 5.45 3.02 -1.26 -4.95 115.26 113.97 1hl5 n ASN 26 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1hl5 n ASN 26 Cb 0.40 -2.21 0.15 0.00 -0.61 0.00 0.00 39.78 37.51 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 -2.00 1.60 0.59 7.41 0.00 -0.25 -5.02 107.32 109.66 1hl5 s GLY 27 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 1hl5 s GLY 27 CO 0.00 -0.05 1.16 -4.14 0.00 0.00 0.00 173.10 170.08 1hl5 s PRO 28 N -5.38 3.04 -0.22 2.90 0.02 -1.26 -4.85 135.00 129.24 1hl5 s PRO 28 Ca 0.66 1.67 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 1hl5 s PRO 28 Cb -0.13 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1hl5 s PRO 28 CO 0.53 -1.12 -0.04 0.08 -0.33 0.00 0.00 177.00 176.13 1hl5 s VAL 29 N -1.80 3.39 -0.12 3.83 1.01 0.23 -4.33 120.40 122.61 1hl5 s VAL 29 Ca 0.74 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1hl5 s VAL 29 Cb -0.26 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1hl5 s VAL 29 CO 0.33 0.42 1.01 -0.54 0.00 0.00 0.00 175.10 176.32 1hl5 s LYS 30 N 1.46 4.40 -0.27 2.72 1.02 0.02 -2.30 119.74 126.79 1hl5 s LYS 30 Ca 0.06 1.38 -0.00 0.00 0.02 0.00 0.00 55.97 57.43 1hl5 s LYS 30 Cb -0.14 -3.55 0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1hl5 s LYS 30 CO -0.03 -0.35 -0.05 0.08 -0.92 0.00 0.00 175.35 174.08 1hl5 s VAL 31 N 2.15 2.67 0.01 3.17 1.01 0.83 -1.54 120.40 128.70 1hl5 s VAL 31 Ca 0.48 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1hl5 s VAL 31 Cb -0.18 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1hl5 s VAL 31 CO 0.16 -0.01 0.16 -1.66 0.00 0.00 0.00 175.10 173.75 1hl5 s TRP 32 N 1.22 0.04 -3.83 5.22 -2.14 -0.40 0.00 118.94 119.05 1hl5 s TRP 32 Ca -0.05 -0.14 0.00 0.00 2.66 0.00 0.00 56.10 58.56 1hl5 s TRP 32 Cb -0.19 -0.04 0.00 0.00 -3.10 0.00 0.00 33.47 30.14 1hl5 s TRP 32 CO -0.03 -0.32 0.00 0.41 -2.66 0.00 0.00 176.95 174.35 1hl5 n GLY 33 N 1.29 -0.54 3.12 3.67 0.00 -0.93 0.94 105.19 112.74 1hl5 n GLY 33 Ca -0.22 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.19 -0.05 1.61 0.15 -0.78 -1.43 113.70 109.01 1hl5 s SER 34 Ca 0.00 0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.99 1hl5 s SER 34 Cb 0.00 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1hl5 s SER 34 CO 0.00 -0.16 -0.13 -0.63 1.20 0.00 0.00 173.24 173.52 1hl5 s ILE 35 N -0.27 1.13 0.40 6.45 1.01 -0.89 -1.24 121.20 127.80 1hl5 s ILE 35 Ca -0.04 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1hl5 s ILE 35 Cb -0.03 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.35 1hl5 s ILE 35 CO 0.01 0.35 0.05 -1.59 0.00 0.00 0.00 174.94 173.75 1hl5 s LYS 36 N 0.43 2.02 0.00 2.79 -2.85 0.42 -0.81 119.74 121.74 1hl5 s LYS 36 Ca -0.10 -2.02 0.00 0.00 -1.00 0.00 0.00 55.97 52.85 1hl5 s LYS 36 Cb -0.13 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 1hl5 s LYS 36 CO 0.03 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1hl5 n GLY 37 N -1.03 0.62 3.93 0.59 0.00 -1.13 -1.84 105.19 106.33 1hl5 n GLY 37 Ca -0.04 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 4.10 0.36 0.99 1.43 -0.97 -4.17 118.68 120.42 1hl5 s LEU 38 Ca 0.00 0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1hl5 s LEU 38 Cb 0.00 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.84 1hl5 s LEU 38 CO 0.00 -0.19 0.98 0.42 0.23 0.00 0.00 176.35 177.78 1hl5 s THR 39 N -2.13 4.10 0.21 5.49 -4.23 -1.26 -4.07 115.64 113.75 1hl5 s THR 39 Ca 0.40 1.63 -0.32 0.00 -1.18 0.00 0.00 61.69 62.22 1hl5 s THR 39 Cb -0.10 -3.85 -0.14 0.00 1.34 0.00 0.00 72.50 69.75 1hl5 s THR 39 CO 0.32 0.03 1.44 1.21 -0.54 0.00 0.00 174.62 177.08 1hl5 n GLU 40 N 0.19 2.00 0.00 3.99 2.13 -1.26 -4.66 120.64 123.03 1hl5 n GLU 40 Ca 0.04 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1hl5 n GLU 40 Cb 0.51 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 2.46 0.53 3.76 8.31 0.00 -0.52 -4.95 105.19 114.78 1hl5 n GLY 41 Ca 0.13 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.03 0.99 1.02 -1.26 -1.52 118.68 122.42 1hl5 s LEU 42 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 54.13 56.07 1hl5 s LEU 42 Cb 0.00 -3.76 0.03 0.00 0.02 0.00 0.00 46.19 42.48 1hl5 s LEU 42 CO 0.00 0.08 0.01 -1.00 0.02 0.00 0.00 176.35 175.45 1hl5 s HIS 43 N -1.34 0.26 0.26 0.29 3.76 -0.56 -3.29 115.29 114.67 1hl5 s HIS 43 Ca 0.44 0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 55.08 1hl5 s HIS 43 Cb -0.23 -0.37 -0.14 0.00 1.11 0.00 0.00 32.58 32.95 1hl5 s HIS 43 CO 0.29 -0.12 1.16 0.41 -0.85 0.00 0.00 174.74 175.63 1hl5 n GLY 44 N 4.11 0.11 2.61 -2.22 0.00 -0.10 -1.57 105.19 108.14 1hl5 n GLY 44 Ca -0.27 0.41 -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 -0.65 0.87 0.10 1.61 5.36 0.69 -0.67 117.98 125.29 1hl5 s PHE 45 Ca 0.64 -1.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.38 1hl5 s PHE 45 Cb -0.71 -1.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 1hl5 s PHE 45 CO 0.56 -0.85 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.39 1hl5 s HIS 46 N 1.84 0.97 -0.35 10.12 3.76 -0.89 -2.20 115.29 128.54 1hl5 s HIS 46 Ca 0.10 -0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 54.03 1hl5 s HIS 46 Cb -0.17 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 1hl5 s HIS 46 CO -0.30 -0.08 0.44 0.08 -0.85 0.00 0.00 174.74 174.03 1hl5 s VAL 47 N -3.21 5.09 0.51 -0.90 1.01 0.22 -0.69 120.40 122.43 1hl5 s VAL 47 Ca 0.10 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1hl5 s VAL 47 Cb 0.02 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1hl5 s VAL 47 CO -0.03 -0.17 0.80 -1.00 0.00 0.00 0.00 175.10 174.70 1hl5 s HIS 48 N 2.20 3.42 0.09 5.22 3.76 0.43 -0.94 115.29 129.47 1hl5 s HIS 48 Ca 0.15 0.68 -0.20 0.00 -0.15 0.00 0.00 55.06 55.53 1hl5 s HIS 48 Cb -0.16 -2.43 -0.10 0.00 1.11 0.00 0.00 32.58 31.01 1hl5 s HIS 48 CO 0.13 -0.45 1.64 1.49 -0.85 0.00 0.00 174.74 176.70 1hl5 h GLU 49 N 0.13 0.25 -5.97 1.40 4.81 0.28 -2.80 114.58 112.68 1hl5 h GLU 49 Ca -0.46 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 1hl5 h GLU 49 Cb 1.23 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1hl5 h GLU 49 CO 0.61 0.31 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.50 1hl5 s PHE 50 N -5.63 3.09 -0.19 0.92 0.08 -0.22 -4.63 117.98 111.40 1hl5 s PHE 50 Ca -0.14 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.01 1hl5 s PHE 50 Cb 0.07 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1hl5 s PHE 50 CO 0.70 0.40 2.52 0.41 -0.10 0.00 0.00 175.22 179.15 1hl5 n GLY 51 N 2.26 3.49 3.31 4.36 0.00 -1.06 -3.91 105.19 113.64 1hl5 n GLY 51 Ca -0.18 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 1.09 5.23 -0.15 1.61 -1.08 -1.26 -4.94 116.67 117.16 1hl5 s ASP 52 Ca 0.36 -0.93 0.17 0.00 -0.52 0.00 0.00 52.55 51.63 1hl5 s ASP 52 Cb 0.22 -1.88 0.44 0.00 -1.46 0.00 0.00 42.92 40.25 1hl5 s ASP 52 CO -0.05 -0.26 1.33 -3.20 0.52 0.00 0.00 175.17 173.51 1hl5 n ASN 53 N 4.84 3.38 -0.34 -0.34 5.15 -1.26 -2.39 115.26 124.29 1hl5 n ASN 53 Ca -0.13 -2.98 0.10 0.00 -0.60 0.00 0.00 54.58 50.97 1hl5 n ASN 53 Cb 0.46 -0.49 0.29 0.00 -0.53 0.00 0.00 39.78 39.52 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1hl5 h THR 54 N 1.27 0.83 -0.46 -0.44 1.35 -1.92 -1.02 112.91 112.51 1hl5 h THR 54 Ca 0.00 -0.30 -0.30 0.00 -0.55 0.00 0.00 66.41 65.26 1hl5 h THR 54 Cb 1.27 -0.11 -0.20 0.00 -1.73 0.00 0.00 68.15 67.38 1hl5 h THR 54 CO 0.15 0.16 -0.32 0.00 -0.25 0.00 0.00 175.52 175.25 1hl5 n ALA 55 N -2.36 4.60 0.00 6.62 0.00 -1.26 -5.08 120.51 123.03 1hl5 n ALA 55 Ca 0.20 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.22 1hl5 n ALA 55 Cb 0.45 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.98 -1.28 0.26 0.00 0.00 -0.39 -4.06 105.19 98.74 1hl5 n GLY 56 Ca 0.36 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 1.00 0.00 0.00 2.02 -1.90 -1.95 112.91 112.07 1hl5 h THR 58 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1hl5 h THR 58 Cb 0.24 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1hl5 h THR 58 CO 0.01 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1hl5 n SER 59 N -4.70 0.00 0.04 4.18 3.41 -1.15 -2.61 113.62 112.80 1hl5 n SER 59 Ca 0.11 -0.32 0.09 0.00 -0.26 0.00 0.00 58.87 58.49 1hl5 n SER 59 Cb 0.19 -0.10 0.39 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.10 1.72 -0.36 7.33 0.00 -0.73 -4.45 120.51 122.91 1hl5 n ALA 60 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1hl5 n ALA 60 Cb 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.12 -0.65 1.90 0.00 0.00 -1.07 -1.06 105.19 104.44 1hl5 n GLY 61 Ca 0.03 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.02 -0.12 -1.90 1.61 -0.04 -1.26 -4.64 135.00 128.63 1hl5 n PRO 62 Ca 0.00 -1.20 -0.41 0.00 -0.04 0.00 0.00 63.50 61.85 1hl5 n PRO 62 Cb 0.00 -0.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.83 2.72 -0.09 0.54 3.76 -1.26 0.67 115.29 119.80 1hl5 s HIS 63 Ca 0.34 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 56.21 1hl5 s HIS 63 Cb -0.01 -3.91 -0.08 0.00 1.11 0.00 0.00 32.58 29.69 1hl5 s HIS 63 CO 0.23 -2.64 2.08 0.34 -0.85 0.00 0.00 174.74 173.91 1hl5 n PHE 64 N 0.51 2.25 -3.11 1.40 7.35 -0.12 -4.44 117.46 121.31 1hl5 n PHE 64 Ca 0.01 -0.24 -0.19 0.00 -0.76 0.00 0.00 57.45 56.27 1hl5 n PHE 64 Cb 0.40 -2.76 -0.03 0.00 0.35 0.00 0.00 39.48 37.44 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 9.29 -0.17 0.30 -2.13 5.15 -1.26 -2.37 115.26 124.07 1hl5 n ASN 65 Ca 0.25 -2.92 0.19 0.00 -0.60 0.00 0.00 54.58 51.50 1hl5 n ASN 65 Cb 0.41 -0.17 0.92 0.00 -0.53 0.00 0.00 39.78 40.41 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 3.65 0.00 -0.13 1.20 0.13 -1.96 -2.15 132.00 132.74 1hl5 h PRO 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1hl5 h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1hl5 h PRO 66 CO 0.43 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 1hl5 n LEU 67 N -3.13 2.47 -3.65 1.56 4.77 -1.26 -4.98 117.00 112.78 1hl5 n LEU 67 Ca -0.01 -0.92 -0.26 0.00 -0.03 0.00 0.00 56.01 54.78 1hl5 n LEU 67 Cb 0.20 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1hl5 n LEU 67 CO 0.24 0.46 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.49 1hl5 n SER 68 N 0.89 -4.06 -4.86 -1.43 7.64 -0.81 -5.01 113.62 105.98 1hl5 n SER 68 Ca 0.17 -0.93 -0.27 0.00 1.01 0.00 0.00 58.87 58.85 1hl5 n SER 68 Cb 0.49 -3.76 -0.02 0.00 -1.01 0.00 0.00 64.21 59.91 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 -5.81 2.26 0.47 1.43 0.52 -1.26 -5.13 118.95 111.43 1hl5 s ARG 69 Ca 0.32 -2.03 -0.08 0.00 -0.52 0.00 0.00 55.73 53.41 1hl5 s ARG 69 Cb -0.10 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1hl5 s ARG 69 CO 0.84 -0.51 0.82 0.15 0.02 0.00 0.00 175.30 176.62 1hl5 s LYS 70 N -4.18 3.64 0.46 3.54 -0.14 -1.26 -4.78 119.74 117.03 1hl5 s LYS 70 Ca 0.31 0.39 -0.24 0.00 -1.36 0.00 0.00 55.97 55.07 1hl5 s LYS 70 Cb -0.01 -2.33 -0.07 0.00 -1.68 0.00 0.00 37.83 33.73 1hl5 s LYS 70 CO 0.19 -0.20 1.29 -1.58 -0.76 0.00 0.00 175.35 174.29 1hl5 s HIS 71 N -2.67 2.65 0.04 3.18 5.65 0.14 -3.10 115.29 121.18 1hl5 s HIS 71 Ca 0.50 1.42 -0.01 0.00 0.25 0.00 0.00 55.06 57.21 1hl5 s HIS 71 Cb -0.10 -3.65 0.01 0.00 -1.18 0.00 0.00 32.58 27.65 1hl5 s HIS 71 CO 0.41 -2.25 0.08 0.41 -0.65 0.00 0.00 174.74 172.74 1hl5 n GLY 72 N 0.62 1.89 3.91 1.59 0.00 -1.25 -4.52 105.19 107.43 1hl5 n GLY 72 Ca 0.07 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.21 1.60 0.56 -0.02 0.00 -1.24 -4.72 107.32 102.28 1hl5 s GLY 73 Ca 0.02 -0.60 0.24 0.00 0.00 0.00 0.00 44.72 44.38 1hl5 s GLY 73 CO 0.01 -0.31 2.13 -2.55 0.00 0.00 0.00 173.10 172.38 1hl5 h PRO 74 N -0.21 0.00 -0.02 2.90 0.11 -1.88 -1.87 132.00 131.04 1hl5 h PRO 74 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hl5 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hl5 h PRO 74 CO 0.61 0.00 -0.14 1.63 -0.21 0.00 0.00 178.00 179.89 1hl5 n LYS 75 N -4.15 1.47 -3.34 1.05 5.02 -1.26 -4.92 118.16 112.03 1hl5 n LYS 75 Ca 0.00 -0.98 -0.36 0.00 -2.02 0.00 0.00 58.31 54.95 1hl5 n LYS 75 Cb 0.24 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.21 6.85 0.12 4.39 1.01 -0.71 -4.98 116.67 121.14 1hl5 s ASP 76 Ca 0.30 1.10 -0.14 0.00 0.71 0.00 0.00 52.55 54.52 1hl5 s ASP 76 Cb 0.20 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 1hl5 s ASP 76 CO 0.42 0.12 1.49 -0.08 0.21 0.00 0.00 175.17 177.32 1hl5 h GLU 77 N 3.65 0.76 -5.62 8.23 4.81 -1.91 -3.34 114.58 121.15 1hl5 h GLU 77 Ca -0.49 -0.34 -0.65 0.00 -0.13 0.00 0.00 59.36 57.76 1hl5 h GLU 77 Cb 1.19 -0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 1hl5 h GLU 77 CO 0.65 0.95 1.33 -2.00 -0.73 0.00 0.00 179.01 179.21 1hl5 s GLU 78 N -4.60 3.66 0.10 1.92 2.56 -1.26 -4.92 118.70 116.17 1hl5 s GLU 78 Ca -0.12 -1.52 -0.17 0.00 0.00 0.00 0.00 54.97 53.15 1hl5 s GLU 78 Cb 0.10 -5.20 0.04 0.00 2.00 0.00 0.00 34.13 31.06 1hl5 s GLU 78 CO 0.83 -2.03 0.42 -0.98 -0.56 0.00 0.00 175.26 172.93 1hl5 s ARG 79 N 3.88 1.04 0.45 4.30 1.70 -1.18 -3.74 118.95 125.40 1hl5 s ARG 79 Ca 0.42 -0.58 -0.21 0.00 -0.47 0.00 0.00 55.73 54.89 1hl5 s ARG 79 Cb -0.01 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 1hl5 s ARG 79 CO -0.07 -0.40 0.97 -1.01 -1.08 0.00 0.00 175.30 173.71 1hl5 s HIS 80 N -3.40 3.24 0.34 5.89 3.76 -1.22 -4.76 115.29 119.13 1hl5 s HIS 80 Ca 0.00 1.60 0.06 0.00 -0.15 0.00 0.00 55.06 56.57 1hl5 s HIS 80 Cb 0.01 -2.90 0.73 0.00 1.11 0.00 0.00 32.58 31.53 1hl5 s HIS 80 CO -0.09 -0.29 1.88 0.28 -0.85 0.00 0.00 174.74 175.66 1hl5 h VAL 81 N 1.78 0.89 -0.19 -0.90 2.07 -1.85 -1.45 116.25 116.60 1hl5 h VAL 81 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl5 h VAL 81 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1hl5 h VAL 81 CO 0.61 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1hl5 n GLY 82 N -1.41 -0.09 3.53 2.17 0.00 -1.00 -4.34 105.19 104.05 1hl5 n GLY 82 Ca 0.17 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.03 6.33 -0.01 1.61 1.01 -0.55 -0.61 116.67 123.42 1hl5 s ASP 83 Ca 0.14 -1.04 0.22 0.00 0.71 0.00 0.00 52.55 52.58 1hl5 s ASP 83 Cb 0.07 -2.52 0.65 0.00 1.01 0.00 0.00 42.92 42.13 1hl5 s ASP 83 CO 0.10 -1.58 1.55 0.18 0.21 0.00 0.00 175.17 175.62 1hl5 n LEU 84 N 8.63 4.05 0.00 1.23 4.77 -0.93 -3.91 117.00 130.84 1hl5 n LEU 84 Ca 0.14 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1hl5 n LEU 84 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 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 0.98 3.45 -0.72 0.00 -1.21 -4.82 105.19 104.45 1hl5 n GLY 85 Ca 0.24 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 3.58 0.31 1.61 0.01 -1.26 -0.22 114.94 114.98 1hl5 s ASN 86 Ca 0.00 -0.85 0.10 0.00 -0.71 0.00 0.00 52.86 51.40 1hl5 s ASN 86 Cb 0.00 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.27 1hl5 s ASN 86 CO 0.00 0.11 -0.06 0.68 -1.51 0.00 0.00 177.10 176.32 1hl5 s VAL 87 N -1.80 2.67 -0.18 1.60 -7.23 -0.61 -4.90 120.40 109.95 1hl5 s VAL 87 Ca 0.23 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1hl5 s VAL 87 Cb -0.08 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1hl5 s VAL 87 CO 0.11 -0.28 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.58 1hl5 s THR 88 N -2.50 1.82 -0.09 5.32 2.01 -1.26 -1.50 115.64 119.44 1hl5 s THR 88 Ca 0.33 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 1hl5 s THR 88 Cb -0.02 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1hl5 s THR 88 CO 0.18 0.37 0.39 0.00 -0.69 0.00 0.00 174.62 174.87 1hl5 s ALA 89 N 1.36 3.60 1.00 7.40 0.00 -0.57 -3.77 121.76 130.77 1hl5 s ALA 89 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1hl5 s ALA 89 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1hl5 s ALA 89 CO -0.10 0.21 0.00 -0.40 0.00 0.00 0.00 175.76 175.46 1hl5 n ASP 90 N 2.98 -0.03 0.29 0.00 5.68 0.44 -1.44 116.55 124.47 1hl5 n ASP 90 Ca -0.11 -0.90 0.16 0.00 -0.50 0.00 0.00 54.79 53.44 1hl5 n ASP 90 Cb 0.52 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 41.41 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 -0.01 0.11 2.10 -1.98 -0.60 116.57 116.19 1hl5 h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1hl5 h LYS 91 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1hl5 h LYS 91 CO 0.00 0.04 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.23 1hl5 n ASP 92 N -3.57 1.40 0.00 7.07 8.00 -1.26 -4.85 116.55 123.34 1hl5 n ASP 92 Ca -0.02 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.03 1hl5 n ASP 92 Cb 0.15 0.01 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 1.17 0.52 3.58 0.44 0.00 -0.23 -4.76 105.19 105.91 1hl5 n GLY 93 Ca 0.19 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 4.67 -0.32 1.61 1.01 -1.26 -2.28 120.40 121.82 1hl5 s VAL 94 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1hl5 s VAL 94 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1hl5 s VAL 94 CO 0.00 0.42 0.13 0.00 0.00 0.00 0.00 175.10 175.64 1hl5 s ALA 95 N 0.78 3.15 -0.46 5.51 0.00 0.01 -0.42 121.76 130.33 1hl5 s ALA 95 Ca 0.04 -1.56 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 1hl5 s ALA 95 Cb -0.13 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.69 1hl5 s ALA 95 CO 0.02 -1.10 0.86 -0.51 0.00 0.00 0.00 175.76 175.03 1hl5 s ASP 96 N 1.52 6.46 -0.16 0.00 1.01 -1.25 -2.09 116.67 122.15 1hl5 s ASP 96 Ca 0.02 0.01 -0.17 0.00 0.71 0.00 0.00 52.55 53.12 1hl5 s ASP 96 Cb -0.18 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1hl5 s ASP 96 CO 0.04 -0.99 0.44 -0.69 0.21 0.00 0.00 175.17 174.18 1hl5 s VAL 97 N 3.54 5.19 -0.29 -1.27 1.01 -0.51 -4.78 120.40 123.29 1hl5 s VAL 97 Ca 0.34 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1hl5 s VAL 97 Cb -0.11 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.63 1hl5 s VAL 97 CO 0.25 0.28 0.29 -0.55 0.00 0.00 0.00 175.10 175.37 1hl5 s SER 98 N 0.82 1.70 0.09 3.32 0.15 -1.25 -2.19 113.70 116.34 1hl5 s SER 98 Ca 0.22 -0.74 0.06 0.00 0.70 0.00 0.00 55.95 56.19 1hl5 s SER 98 Cb -0.15 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1hl5 s SER 98 CO 0.09 -0.39 -0.14 -0.63 1.20 0.00 0.00 173.24 173.36 1hl5 s ILE 99 N 2.36 1.23 -0.06 6.45 1.01 0.10 -5.00 121.20 127.28 1hl5 s ILE 99 Ca 0.09 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.27 1hl5 s ILE 99 Cb -0.14 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.07 1hl5 s ILE 99 CO -0.32 -0.29 -0.06 -0.70 0.00 0.00 0.00 174.94 173.56 1hl5 s GLU 100 N -2.12 1.12 0.00 2.79 2.12 -1.26 -0.12 118.70 121.23 1hl5 s GLU 100 Ca 0.03 -0.18 -0.00 0.00 0.36 0.00 0.00 54.97 55.18 1hl5 s GLU 100 Cb -0.08 -1.10 -0.00 0.00 0.26 0.00 0.00 34.13 33.21 1hl5 s GLU 100 CO 0.03 -0.11 -0.00 0.34 -0.54 0.00 0.00 175.26 174.98 1hl5 s ASP 101 N 1.10 0.02 0.00 -1.70 2.15 -0.97 -4.96 116.67 112.30 1hl5 s ASP 101 Ca -0.08 -0.04 0.12 0.00 0.43 0.00 0.00 52.55 52.98 1hl5 s ASP 101 Cb -0.14 0.01 0.13 0.00 -0.30 0.00 0.00 42.92 42.62 1hl5 s ASP 101 CO -0.01 -0.03 0.94 -1.20 -0.17 0.00 0.00 175.17 174.70 1hl5 n SER 102 N 2.95 2.14 0.00 -0.34 7.64 -1.26 -0.60 113.62 124.15 1hl5 n SER 102 Ca -0.13 -1.57 -0.21 0.00 1.01 0.00 0.00 58.87 57.96 1hl5 n SER 102 Cb 0.60 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 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 2.35 1.00 -4.26 0.44 2.07 -1.93 -3.46 116.25 112.46 1hl5 h VAL 103 Ca 0.00 -2.38 -0.48 0.00 0.82 0.00 0.00 66.70 64.66 1hl5 h VAL 103 Cb 0.54 2.68 0.12 0.00 -1.52 0.00 0.00 31.29 33.10 1hl5 h VAL 103 CO 0.00 0.70 0.32 0.27 0.02 0.00 0.00 177.57 178.88 1hl5 s ILE 104 N -2.48 2.78 0.03 4.57 -4.36 -1.26 -4.84 121.20 115.64 1hl5 s ILE 104 Ca -0.20 0.25 -0.27 0.00 -0.26 0.00 0.00 60.65 60.17 1hl5 s ILE 104 Cb 0.05 -2.98 0.07 0.00 1.25 0.00 0.00 42.46 40.85 1hl5 s ILE 104 CO 0.76 -0.33 0.63 -0.55 0.24 0.00 0.00 174.94 175.69 1hl5 s SER 105 N -3.89 -0.60 0.00 4.36 0.15 -1.09 -4.71 113.70 107.92 1hl5 s SER 105 Ca 0.62 0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.90 1hl5 s SER 105 Cb -0.15 0.55 0.52 0.00 -1.71 0.00 0.00 66.02 65.23 1hl5 s SER 105 CO 0.54 -0.74 1.44 0.18 1.20 0.00 0.00 173.24 175.87 1hl5 n LEU 106 N 0.44 2.94 -3.51 3.45 4.77 -1.26 -0.91 117.00 122.92 1hl5 n LEU 106 Ca -0.18 -1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 54.38 1hl5 n LEU 106 Cb 0.60 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1hl5 n LEU 106 CO 0.20 0.64 0.33 -0.94 -1.33 0.00 0.00 177.39 176.29 1hl5 s SER 107 N -1.45 -0.49 0.00 -1.43 1.04 -1.26 -4.81 113.70 105.30 1hl5 s SER 107 Ca 0.37 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1hl5 s SER 107 Cb 0.21 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1hl5 s SER 107 CO 0.30 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1hl5 n GLY 108 N 0.02 -1.47 0.33 7.32 0.00 -1.26 -4.09 105.19 106.04 1hl5 n GLY 108 Ca -0.17 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.67 0.83 -0.64 1.61 3.45 -2.01 -2.50 116.42 117.84 1hl5 h ASP 109 Ca 0.00 -0.08 -0.12 0.00 0.43 0.00 0.00 57.03 57.26 1hl5 h ASP 109 Cb 0.00 -0.21 -0.07 0.00 -0.56 0.00 0.00 39.33 38.48 1hl5 h ASP 109 CO 0.00 0.69 0.16 1.41 -1.57 0.00 0.00 179.24 179.93 1hl5 n HIS 110 N -4.36 2.19 -1.66 4.55 8.25 -1.26 -4.99 115.22 117.94 1hl5 n HIS 110 Ca 0.06 -0.95 -0.46 0.00 -0.26 0.00 0.00 57.72 56.11 1hl5 n HIS 110 Cb 0.12 -0.59 -0.03 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 2.38 0.58 -2.19 0.00 -5.35 -0.09 -4.91 119.36 109.78 1hl5 n ILE 112 Ca 0.14 -0.79 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 1hl5 n ILE 112 Cb 0.29 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 39.00 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 -1.08 3.44 0.00 7.28 -1.09 -1.26 -2.06 121.20 126.42 1hl5 s ILE 113 Ca 0.24 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1hl5 s ILE 113 Cb 0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1hl5 s ILE 113 CO 0.19 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1hl5 n GLY 114 N 3.53 1.06 2.78 6.18 0.00 0.01 -5.02 105.19 113.74 1hl5 n GLY 114 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 0.15 -4.83 1.61 1.74 -0.88 -2.58 116.66 109.87 1hl5 n ARG 115 Ca 0.00 -1.97 -0.33 0.00 -0.77 0.00 0.00 57.85 54.78 1hl5 n ARG 115 Cb 0.00 -0.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.10 2.68 -0.16 0.55 2.01 -1.06 -0.48 115.64 117.09 1hl5 s THR 116 Ca 0.47 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1hl5 s THR 116 Cb -0.03 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1hl5 s THR 116 CO 0.31 0.53 0.39 -0.22 -0.69 0.00 0.00 174.62 174.94 1hl5 s LEU 117 N 0.47 4.23 -0.02 4.42 2.96 -0.63 0.16 118.68 130.27 1hl5 s LEU 117 Ca -0.12 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 1hl5 s LEU 117 Cb -0.16 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1hl5 s LEU 117 CO 0.05 0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.24 1hl5 s VAL 118 N 0.76 1.36 -0.10 1.68 1.01 0.13 -2.51 120.40 122.73 1hl5 s VAL 118 Ca 0.21 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1hl5 s VAL 118 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1hl5 s VAL 118 CO 0.07 0.39 -0.05 0.54 0.00 0.00 0.00 175.10 176.05 1hl5 s VAL 119 N -0.26 3.83 0.29 2.92 0.11 -0.67 -2.09 120.40 124.53 1hl5 s VAL 119 Ca 0.03 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1hl5 s VAL 119 Cb -0.08 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.13 1hl5 s VAL 119 CO 0.00 0.56 0.29 -1.00 -3.33 0.00 0.00 175.10 171.62 1hl5 s HIS 120 N -0.39 3.06 0.12 1.54 3.76 0.15 -1.50 115.29 122.04 1hl5 s HIS 120 Ca 0.06 -0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 54.59 1hl5 s HIS 120 Cb -0.12 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1hl5 s HIS 120 CO 0.02 0.31 1.76 1.49 -0.85 0.00 0.00 174.74 177.47 1hl5 h GLU 121 N 1.28 0.34 -5.69 1.40 4.81 -0.96 -3.37 114.58 112.40 1hl5 h GLU 121 Ca -0.47 -0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.12 1hl5 h GLU 121 Cb 1.25 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1hl5 h GLU 121 CO 0.59 0.26 -0.41 0.15 -0.73 0.00 0.00 179.01 178.86 1hl5 s LYS 122 N -6.04 2.23 0.47 1.92 1.02 0.25 -4.92 119.74 114.66 1hl5 s LYS 122 Ca -0.13 -2.10 -0.21 0.00 0.02 0.00 0.00 55.97 53.54 1hl5 s LYS 122 Cb 0.09 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 1hl5 s LYS 122 CO 0.70 -0.42 1.07 0.00 -0.92 0.00 0.00 175.35 175.78 1hl5 s ALA 123 N -2.77 2.92 -0.26 5.17 0.00 -1.21 -0.92 121.76 124.69 1hl5 s ALA 123 Ca 0.27 0.71 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 1hl5 s ALA 123 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1hl5 s ALA 123 CO 0.16 -0.39 0.88 0.34 0.00 0.00 0.00 175.76 176.74 1hl5 s ASP 124 N -1.76 6.84 0.00 0.00 -1.08 -1.26 -4.04 116.67 115.37 1hl5 s ASP 124 Ca 0.65 1.00 0.16 0.00 -0.52 0.00 0.00 52.55 53.84 1hl5 s ASP 124 Cb -0.20 -2.46 0.96 0.00 -1.46 0.00 0.00 42.92 39.76 1hl5 s ASP 124 CO 0.25 -0.60 1.55 -0.90 0.52 0.00 0.00 175.17 175.99 1hl5 n ASP 125 N 6.19 0.00 -1.90 -0.34 5.68 0.17 -4.88 116.55 121.47 1hl5 n ASP 125 Ca 0.07 -1.29 -0.19 0.00 -0.50 0.00 0.00 54.79 52.87 1hl5 n ASP 125 Cb 0.47 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.78 -1.58 0.00 -2.12 4.77 -1.26 -1.87 117.00 114.16 1hl5 n LEU 126 Ca 0.12 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1hl5 n LEU 126 Cb 0.06 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1hl5 n LEU 126 CO 0.09 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.07 1hl5 n GLY 127 N -0.61 0.69 1.49 -0.72 0.00 -1.25 -3.69 105.19 101.10 1hl5 n GLY 127 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.58 3.97 0.22 1.61 5.02 -0.78 -4.59 118.16 121.02 1hl5 n LYS 128 Ca 0.00 -2.94 0.10 0.00 -2.02 0.00 0.00 58.31 53.45 1hl5 n LYS 128 Cb 0.00 -1.99 0.43 0.00 -0.02 0.00 0.00 35.03 33.45 1hl5 n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1hl5 h GLY 129 N 3.41 0.00 0.00 0.72 0.00 -1.90 -3.47 103.07 101.82 1hl5 h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hl5 h GLY 129 CO 0.32 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1hl5 n GLY 130 N 0.30 0.73 3.53 4.60 0.00 -1.26 -4.99 105.19 108.09 1hl5 n GLY 130 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 3.09 0.00 1.61 4.22 -1.26 -5.04 114.94 115.11 1hl5 s ASN 131 Ca 0.00 -1.37 0.00 0.00 -2.14 0.00 0.00 52.86 49.35 1hl5 s ASN 131 Cb 0.00 -0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.29 1hl5 s ASN 131 CO 0.00 -0.53 0.00 -1.84 -2.04 0.00 0.00 177.10 172.69 1hl5 n GLU 132 N -0.82 0.00 -0.15 3.55 0.28 -1.26 -2.35 120.64 119.89 1hl5 n GLU 132 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 1hl5 n GLU 132 Cb 0.67 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.81 1hl5 n GLU 132 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1hl5 h GLU 133 N 0.00 0.85 -0.83 3.44 4.57 -2.00 -2.90 114.58 117.71 1hl5 h GLU 133 Ca 0.00 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1hl5 h GLU 133 Cb 0.00 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.34 1hl5 h GLU 133 CO 0.00 0.61 0.49 1.03 -1.18 0.00 0.00 179.01 179.96 1hl5 h SER 134 N 0.87 0.73 0.00 1.04 0.87 -1.81 0.15 113.55 115.40 1hl5 h SER 134 Ca 0.23 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1hl5 h SER 134 Cb -0.02 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1hl5 h SER 134 CO -0.04 0.44 0.00 0.35 -0.53 0.00 0.00 176.83 177.05 1hl5 n THR 135 N -4.70 0.00 -0.06 2.23 -2.24 -1.10 -1.86 114.28 106.55 1hl5 n THR 135 Ca 0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1hl5 n THR 135 Cb 0.23 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.93 0.27 0.00 -0.78 5.02 0.30 -0.68 118.16 121.36 1hl5 n LYS 136 Ca 0.19 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1hl5 n LYS 136 Cb 0.08 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 -3.61 0.00 -1.57 -0.18 -2.24 0.19 -4.68 114.28 102.19 1hl5 n THR 137 Ca -0.24 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 1hl5 n THR 137 Cb 0.65 1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 70.48 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 0.02 0.84 3.06 3.38 0.00 -0.78 -2.98 105.19 108.74 1hl5 n GLY 138 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 0.15 -4.80 0.04 1.61 3.02 -1.26 -0.65 115.26 113.37 1hl5 n ASN 139 Ca -0.11 -0.26 0.09 0.00 -0.03 0.00 0.00 54.58 54.27 1hl5 n ASN 139 Cb 0.43 -3.94 0.39 0.00 -0.61 0.00 0.00 39.78 36.05 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 -3.30 1.75 -0.42 5.41 0.00 -1.16 -4.72 120.51 118.07 1hl5 n ALA 140 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1hl5 n ALA 140 Cb 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1hl5 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 141 N 0.20 0.05 3.59 0.00 0.00 -1.26 -0.59 105.19 107.19 1hl5 n GLY 141 Ca 0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1hl5 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hl5 n SER 142 N -0.82 -0.39 -4.41 1.61 3.41 -1.26 -4.65 113.62 107.11 1hl5 n SER 142 Ca 0.00 0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 1hl5 n SER 142 Cb 0.00 -1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 62.46 1hl5 n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hl5 s ARG 143 N -4.46 2.92 0.10 4.33 0.52 -1.26 -0.87 118.95 120.22 1hl5 s ARG 143 Ca 0.66 -1.14 -0.09 0.00 -0.52 0.00 0.00 55.73 54.64 1hl5 s ARG 143 Cb -0.23 -3.95 -0.17 0.00 0.52 0.00 0.00 34.95 31.12 1hl5 s ARG 143 CO 0.61 -0.82 1.24 -0.07 0.02 0.00 0.00 175.30 176.28 1hl5 h LEU 144 N 8.60 0.74 -7.36 2.53 3.38 -1.57 -3.47 115.31 118.16 1hl5 h LEU 144 Ca -0.27 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.05 1hl5 h LEU 144 Cb 1.11 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 1hl5 h LEU 144 CO 0.75 1.39 -0.07 0.00 0.09 0.00 0.00 178.44 180.61 1hl5 s ALA 145 N -3.28 -1.02 0.12 1.53 0.00 -1.20 -3.98 121.76 113.93 1hl5 s ALA 145 Ca -0.08 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1hl5 s ALA 145 Cb 0.08 0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.77 1hl5 s ALA 145 CO 0.90 -0.54 0.74 0.00 0.00 0.00 0.00 175.76 176.85 1hl5 s GLY 147 N -2.70 -0.35 0.14 0.00 0.00 -1.05 -1.19 107.32 102.18 1hl5 s GLY 147 Ca 0.04 0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.62 1hl5 s GLY 147 CO -0.08 -0.05 0.75 0.14 0.00 0.00 0.00 173.10 173.85 1hl5 s VAL 148 N -3.82 4.46 -0.30 1.40 1.01 -1.26 -1.61 120.40 120.28 1hl5 s VAL 148 Ca 0.05 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.38 1hl5 s VAL 148 Cb -0.02 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1hl5 s VAL 148 CO -0.07 0.51 1.02 -0.63 0.00 0.00 0.00 175.10 175.94 1hl5 s ILE 149 N -1.03 4.59 0.29 2.22 1.01 0.37 -4.35 121.20 124.30 1hl5 s ILE 149 Ca 0.35 1.72 0.10 0.00 0.00 0.00 0.00 60.65 62.82 1hl5 s ILE 149 Cb -0.22 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1hl5 s ILE 149 CO 0.25 -0.37 -0.06 -0.83 0.00 0.00 0.00 174.94 173.92 1hl5 s GLY 150 N 1.54 1.83 0.05 6.18 0.00 0.62 -0.81 107.32 116.73 1hl5 s GLY 150 Ca 0.43 -1.80 -0.31 0.00 0.00 0.00 0.00 44.72 43.04 1hl5 s GLY 150 CO 0.13 -1.85 1.30 -0.42 0.00 0.00 0.00 173.10 172.27 1hl5 s ILE 151 N -2.43 3.77 0.30 0.90 1.01 -1.26 -0.50 121.20 122.98 1hl5 s ILE 151 Ca 0.32 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.28 1hl5 s ILE 151 Cb -0.04 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1hl5 s ILE 151 CO 0.18 0.06 0.14 0.00 0.00 0.00 0.00 174.94 175.32 1hl5 s ALA 152 N 1.55 3.48 -2.00 9.38 0.00 -0.67 -4.81 121.76 128.70 1hl5 s ALA 152 Ca 0.61 -1.65 0.25 0.00 0.00 0.00 0.00 51.96 51.18 1hl5 s ALA 152 Cb -0.31 -0.95 1.51 0.00 0.00 0.00 0.00 23.12 23.37 1hl5 s ALA 152 CO 0.28 0.15 1.87 0.94 0.00 0.00 0.00 175.76 179.00