#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl4 n THR 2 N 0.00 0.06 -4.58 0.00 -2.24 -1.26 -4.60 114.28 101.66 1hl4 n THR 2 Ca 0.00 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.07 1hl4 n THR 2 Cb 0.00 -0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1hl4 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hl4 s LYS 3 N -3.43 1.05 0.07 -0.78 1.02 -1.26 -0.29 119.74 116.12 1hl4 s LYS 3 Ca -0.08 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 1hl4 s LYS 3 Cb 0.13 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1hl4 s LYS 3 CO 0.88 0.27 -0.02 0.00 -0.92 0.00 0.00 175.35 175.56 1hl4 s ALA 4 N -0.28 0.60 -0.02 5.17 0.00 0.02 -1.27 121.76 125.98 1hl4 s ALA 4 Ca 0.05 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 1hl4 s ALA 4 Cb -0.05 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1hl4 s ALA 4 CO -0.00 -0.38 0.27 0.54 0.00 0.00 0.00 175.76 176.19 1hl4 s VAL 5 N -3.92 0.06 -0.06 0.00 0.11 -0.26 0.11 120.40 116.43 1hl4 s VAL 5 Ca 0.10 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1hl4 s VAL 5 Cb 0.08 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1hl4 s VAL 5 CO -0.08 -0.26 0.14 0.00 -3.33 0.00 0.00 175.10 171.58 1hl4 s VAL 7 N 1.24 5.24 -0.26 0.00 1.01 -1.26 -0.86 120.40 125.51 1hl4 s VAL 7 Ca -0.08 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1hl4 s VAL 7 Cb -0.12 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1hl4 s VAL 7 CO -0.06 0.24 0.18 -0.76 0.00 0.00 0.00 175.10 174.70 1hl4 s LEU 8 N 1.57 4.07 0.05 3.92 1.43 -0.11 -3.67 118.68 125.94 1hl4 s LEU 8 Ca 0.13 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1hl4 s LEU 8 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1hl4 s LEU 8 CO 0.08 0.01 -0.05 -0.54 0.23 0.00 0.00 176.35 176.08 1hl4 s LYS 9 N 1.41 0.53 0.00 1.70 1.02 0.07 -2.26 119.74 122.20 1hl4 s LYS 9 Ca 0.07 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1hl4 s LYS 9 Cb -0.15 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 1hl4 s LYS 9 CO 0.08 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1hl4 n GLY 10 N 0.96 4.30 0.21 -3.33 0.00 -1.24 -0.71 105.19 105.38 1hl4 n GLY 10 Ca -0.19 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1hl4 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl4 h ASP 11 N 0.00 0.00 -0.49 1.61 3.32 -1.90 -3.46 116.42 115.51 1hl4 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hl4 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hl4 h ASP 11 CO 0.00 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 1hl4 n GLY 12 N 1.04 2.39 0.36 2.75 0.00 -1.26 -5.02 105.19 105.46 1hl4 n GLY 12 Ca 0.03 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1hl4 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl4 n PRO 13 N 0.00 1.31 -2.02 1.61 -0.04 -1.26 -4.89 135.00 129.71 1hl4 n PRO 13 Ca 0.00 -0.73 -0.43 0.00 -0.04 0.00 0.00 63.50 62.31 1hl4 n PRO 13 Cb 0.00 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 1hl4 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl4 s VAL 14 N -2.19 3.55 0.05 0.52 1.01 -1.26 -4.33 120.40 117.76 1hl4 s VAL 14 Ca 0.33 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1hl4 s VAL 14 Cb 0.20 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1hl4 s VAL 14 CO 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.22 1hl4 s GLN 15 N 4.96 0.59 -0.05 2.72 -2.07 -0.59 -3.72 119.66 121.50 1hl4 s GLN 15 Ca 0.76 -1.15 -0.31 0.00 -1.82 0.00 0.00 55.36 52.85 1hl4 s GLN 15 Cb -0.27 0.21 0.12 0.00 -1.09 0.00 0.00 33.01 31.99 1hl4 s GLN 15 CO 0.31 -0.11 1.35 0.20 -1.32 0.00 0.00 175.29 175.72 1hl4 s GLY 16 N -2.78 -0.37 -0.08 2.60 0.00 -0.96 -0.23 107.32 105.50 1hl4 s GLY 16 Ca 0.05 0.61 0.02 0.00 0.00 0.00 0.00 44.72 45.40 1hl4 s GLY 16 CO -0.09 1.88 -0.11 -0.42 0.00 0.00 0.00 173.10 174.36 1hl4 s ILE 17 N -2.16 1.13 -0.10 0.90 1.01 -0.67 -0.93 121.20 120.37 1hl4 s ILE 17 Ca 0.19 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1hl4 s ILE 17 Cb 0.04 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1hl4 s ILE 17 CO -0.04 0.36 -0.20 -0.63 0.00 0.00 0.00 174.94 174.43 1hl4 s ILE 18 N 0.87 1.75 -0.09 2.92 -1.09 -0.04 -2.09 121.20 123.44 1hl4 s ILE 18 Ca -0.11 -0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.43 1hl4 s ILE 18 Cb -0.15 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1hl4 s ILE 18 CO 0.01 0.49 0.12 0.20 -1.23 0.00 0.00 174.94 174.54 1hl4 s ASN 19 N 0.55 6.18 -0.00 3.58 -0.87 0.26 -1.18 114.94 123.46 1hl4 s ASN 19 Ca -0.15 0.39 0.08 0.00 -1.57 0.00 0.00 52.86 51.61 1hl4 s ASN 19 Cb -0.17 -1.95 -0.02 0.00 -0.02 0.00 0.00 41.25 39.09 1hl4 s ASN 19 CO 0.05 0.38 -0.25 -0.36 -2.57 0.00 0.00 177.10 174.35 1hl4 s PHE 20 N -1.06 2.24 -0.07 2.20 0.40 0.30 -1.09 117.98 120.89 1hl4 s PHE 20 Ca 0.17 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1hl4 s PHE 20 Cb -0.12 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.04 1hl4 s PHE 20 CO 0.07 -0.00 0.14 -2.00 0.70 0.00 0.00 175.22 174.13 1hl4 s GLU 21 N -0.74 0.02 -0.25 0.44 2.12 0.09 -0.80 118.70 119.58 1hl4 s GLU 21 Ca 0.10 0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.96 1hl4 s GLU 21 Cb -0.10 -0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.05 1hl4 s GLU 21 CO -0.00 -0.29 -0.10 -1.14 -0.54 0.00 0.00 175.26 173.18 1hl4 s GLN 22 N 2.14 2.14 0.07 4.30 0.74 0.60 0.36 119.66 130.00 1hl4 s GLN 22 Ca 0.02 -1.21 -0.14 0.00 0.05 0.00 0.00 55.36 54.08 1hl4 s GLN 22 Cb -0.12 -2.77 -0.25 0.00 1.10 0.00 0.00 33.01 30.97 1hl4 s GLN 22 CO -0.05 -0.54 1.17 0.87 -0.55 0.00 0.00 175.29 176.18 1hl4 h LYS 23 N 7.83 0.68 -5.83 1.67 1.57 -1.82 -3.40 116.57 117.28 1hl4 h LYS 23 Ca -0.21 -0.78 -0.62 0.00 -1.87 0.00 0.00 60.65 57.17 1hl4 h LYS 23 Cb 1.06 0.23 -0.31 0.00 0.08 0.00 0.00 32.23 33.30 1hl4 h LYS 23 CO 0.46 1.35 -0.86 -1.21 -0.57 0.00 0.00 179.45 178.62 1hl4 s GLU 24 N -3.22 1.95 0.62 3.15 2.02 -1.26 -5.02 118.70 116.94 1hl4 s GLU 24 Ca -0.10 -0.75 0.40 0.00 0.02 0.00 0.00 54.97 54.54 1hl4 s GLU 24 Cb 0.06 -1.76 2.03 0.00 0.10 0.00 0.00 34.13 34.57 1hl4 s GLU 24 CO 0.93 0.37 2.23 0.66 0.02 0.00 0.00 175.26 179.48 1hl4 h SER 25 N 5.92 0.00 -0.30 -0.19 4.64 -1.97 0.80 113.55 122.44 1hl4 h SER 25 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1hl4 h SER 25 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1hl4 h SER 25 CO 0.48 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 1hl4 n ASN 26 N -3.14 3.42 -5.00 4.97 6.94 -1.26 -4.92 115.26 116.27 1hl4 n ASN 26 Ca -0.02 -2.51 -0.21 0.00 -0.02 0.00 0.00 54.58 51.82 1hl4 n ASN 26 Cb 0.15 -0.39 0.04 0.00 -2.36 0.00 0.00 39.78 37.22 1hl4 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1hl4 s GLY 27 N -1.46 1.89 0.77 4.83 0.00 0.27 -5.11 107.32 108.51 1hl4 s GLY 27 Ca 0.33 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 1hl4 s GLY 27 CO 0.12 -1.71 1.11 2.56 0.00 0.00 0.00 173.10 175.18 1hl4 s PRO 28 N -4.54 2.18 -0.23 2.90 0.04 -1.26 -4.83 135.00 129.26 1hl4 s PRO 28 Ca 0.55 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 1hl4 s PRO 28 Cb -0.05 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1hl4 s PRO 28 CO 0.35 -1.72 0.13 0.08 0.04 0.00 0.00 177.00 175.87 1hl4 s VAL 29 N -2.68 5.11 -0.09 -0.36 1.01 0.68 -4.34 120.40 119.74 1hl4 s VAL 29 Ca 0.64 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.48 1hl4 s VAL 29 Cb -0.20 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1hl4 s VAL 29 CO 0.52 0.37 0.72 -0.54 0.00 0.00 0.00 175.10 176.18 1hl4 s LYS 30 N 0.94 4.41 -0.16 2.72 1.02 0.16 -1.04 119.74 127.77 1hl4 s LYS 30 Ca 0.06 0.89 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1hl4 s LYS 30 Cb -0.13 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1hl4 s LYS 30 CO 0.03 -0.01 -0.18 0.08 -0.92 0.00 0.00 175.35 174.35 1hl4 s VAL 31 N 1.05 1.88 0.06 3.17 1.01 0.15 -0.73 120.40 126.99 1hl4 s VAL 31 Ca 0.37 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1hl4 s VAL 31 Cb -0.17 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1hl4 s VAL 31 CO 0.17 0.51 0.49 -1.66 0.00 0.00 0.00 175.10 174.62 1hl4 s TRP 32 N 1.28 -0.38 -4.98 5.22 -2.14 -0.25 -0.20 118.94 117.49 1hl4 s TRP 32 Ca 0.03 0.36 0.00 0.00 2.66 0.00 0.00 56.10 59.15 1hl4 s TRP 32 Cb -0.13 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.56 1hl4 s TRP 32 CO -0.10 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 1hl4 n GLY 33 N 0.31 -0.49 2.98 3.67 0.00 -0.71 0.89 105.19 111.84 1hl4 n GLY 33 Ca -0.18 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1hl4 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hl4 s SER 34 N -4.00 -0.12 -0.04 1.61 0.15 -0.89 -0.89 113.70 109.53 1hl4 s SER 34 Ca 0.00 0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.93 1hl4 s SER 34 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1hl4 s SER 34 CO 0.00 -0.06 -0.13 -0.63 1.20 0.00 0.00 173.24 173.62 1hl4 s ILE 35 N 0.22 1.12 0.37 6.45 1.01 -0.36 -1.67 121.20 128.34 1hl4 s ILE 35 Ca -0.01 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1hl4 s ILE 35 Cb -0.02 -0.98 -0.07 0.00 0.01 0.00 0.00 42.46 41.39 1hl4 s ILE 35 CO -0.01 0.34 0.02 -1.59 0.00 0.00 0.00 174.94 173.70 1hl4 s LYS 36 N 0.20 1.83 0.00 2.79 -2.85 0.68 -0.28 119.74 122.11 1hl4 s LYS 36 Ca -0.05 -2.02 0.00 0.00 -1.00 0.00 0.00 55.97 52.90 1hl4 s LYS 36 Cb -0.11 -1.35 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 1hl4 s LYS 36 CO 0.02 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1hl4 n GLY 37 N -0.85 0.66 3.85 0.59 0.00 -0.95 -1.54 105.19 106.96 1hl4 n GLY 37 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1hl4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl4 s LEU 38 N 0.00 4.17 0.38 0.99 2.01 -0.91 -4.27 118.68 121.05 1hl4 s LEU 38 Ca 0.00 1.12 -0.26 0.00 0.01 0.00 0.00 54.13 55.00 1hl4 s LEU 38 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 46.19 42.36 1hl4 s LEU 38 CO 0.00 -0.08 1.19 0.42 1.01 0.00 0.00 176.35 178.89 1hl4 s THR 39 N -1.80 3.09 0.23 5.49 -4.23 -1.26 -3.79 115.64 113.37 1hl4 s THR 39 Ca 0.48 0.95 -0.32 0.00 -1.18 0.00 0.00 61.69 61.63 1hl4 s THR 39 Cb -0.12 -3.55 -0.14 0.00 1.34 0.00 0.00 72.50 70.03 1hl4 s THR 39 CO 0.19 0.12 1.35 1.21 -0.54 0.00 0.00 174.62 176.96 1hl4 n GLU 40 N 0.26 1.85 0.00 3.99 2.13 -1.26 -4.55 120.64 123.07 1hl4 n GLU 40 Ca 0.03 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1hl4 n GLU 40 Cb 0.46 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1hl4 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl4 n GLY 41 N 2.12 0.58 3.81 8.31 0.00 0.95 -4.90 105.19 116.06 1hl4 n GLY 41 Ca 0.12 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1hl4 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl4 s LEU 42 N 0.00 4.51 -0.05 0.99 1.02 -1.26 0.88 118.68 124.77 1hl4 s LEU 42 Ca 0.00 1.22 -0.00 0.00 0.02 0.00 0.00 54.13 55.37 1hl4 s LEU 42 Cb 0.00 -2.87 0.03 0.00 0.02 0.00 0.00 46.19 43.37 1hl4 s LEU 42 CO 0.00 0.26 0.00 -1.00 0.02 0.00 0.00 176.35 175.63 1hl4 s HIS 43 N -1.00 0.47 0.45 0.29 3.76 -0.05 -2.21 115.29 117.01 1hl4 s HIS 43 Ca 0.29 -0.06 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 1hl4 s HIS 43 Cb -0.19 -0.59 -0.11 0.00 1.11 0.00 0.00 32.58 32.80 1hl4 s HIS 43 CO 0.18 -0.21 0.78 0.41 -0.85 0.00 0.00 174.74 175.05 1hl4 n GLY 44 N 4.60 -0.84 2.58 -2.22 0.00 -0.66 -0.61 105.19 108.03 1hl4 n GLY 44 Ca -0.17 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1hl4 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hl4 s PHE 45 N -1.42 0.24 0.02 1.61 5.36 0.24 -0.51 117.98 123.53 1hl4 s PHE 45 Ca 0.65 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1hl4 s PHE 45 Cb -0.55 -0.78 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 1hl4 s PHE 45 CO 0.56 -0.66 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.58 1hl4 s HIS 46 N 2.13 0.57 -0.07 10.12 3.76 -0.70 -1.40 115.29 129.70 1hl4 s HIS 46 Ca 0.05 -0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 54.43 1hl4 s HIS 46 Cb -0.16 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1hl4 s HIS 46 CO -0.22 -0.05 0.65 0.08 -0.85 0.00 0.00 174.74 174.34 1hl4 s VAL 47 N -0.81 5.06 0.24 -0.90 1.01 -0.08 0.05 120.40 124.97 1hl4 s VAL 47 Ca -0.05 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1hl4 s VAL 47 Cb -0.06 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1hl4 s VAL 47 CO 0.00 0.28 0.11 -1.00 0.00 0.00 0.00 175.10 174.50 1hl4 s HIS 48 N 0.66 2.98 0.22 5.22 3.76 0.11 -0.99 115.29 127.25 1hl4 s HIS 48 Ca 0.35 -0.13 -0.08 0.00 -0.15 0.00 0.00 55.06 55.04 1hl4 s HIS 48 Cb -0.17 -1.36 0.25 0.00 1.11 0.00 0.00 32.58 32.40 1hl4 s HIS 48 CO 0.17 0.55 1.84 1.49 -0.85 0.00 0.00 174.74 177.93 1hl4 h GLU 49 N 1.85 0.81 -5.60 1.40 4.81 -0.93 -3.05 114.58 113.86 1hl4 h GLU 49 Ca -0.47 -0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.06 1hl4 h GLU 49 Cb 1.23 -0.18 -0.15 0.00 0.63 0.00 0.00 28.75 30.28 1hl4 h GLU 49 CO 0.61 0.53 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.77 1hl4 s PHE 50 N -6.09 3.22 -0.15 0.92 0.08 0.35 -4.74 117.98 111.57 1hl4 s PHE 50 Ca -0.13 0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 1hl4 s PHE 50 Cb 0.16 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1hl4 s PHE 50 CO 0.77 0.32 2.70 0.41 -0.10 0.00 0.00 175.22 179.33 1hl4 n GLY 51 N 2.79 3.33 3.23 4.36 0.00 -0.93 -3.18 105.19 114.80 1hl4 n GLY 51 Ca -0.18 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1hl4 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hl4 s ASP 52 N 1.33 4.94 -0.21 1.61 -1.08 -1.26 -4.94 116.67 117.05 1hl4 s ASP 52 Ca 0.40 -1.08 0.12 0.00 -0.52 0.00 0.00 52.55 51.47 1hl4 s ASP 52 Cb 0.23 -1.77 0.42 0.00 -1.46 0.00 0.00 42.92 40.34 1hl4 s ASP 52 CO -0.04 -0.24 1.28 0.59 0.52 0.00 0.00 175.17 177.27 1hl4 n ASN 53 N 4.72 2.16 -0.02 -0.34 5.03 -1.26 -2.31 115.26 123.23 1hl4 n ASN 53 Ca -0.14 -3.67 0.16 0.00 0.87 0.00 0.00 54.58 51.81 1hl4 n ASN 53 Cb 0.45 -0.54 0.61 0.00 -1.02 0.00 0.00 39.78 39.28 1hl4 n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1hl4 h THR 54 N 0.86 0.81 -1.01 3.41 1.35 -1.93 -1.88 112.91 114.52 1hl4 h THR 54 Ca 0.06 -0.06 -0.46 0.00 -0.55 0.00 0.00 66.41 65.39 1hl4 h THR 54 Cb 1.19 0.63 -0.41 0.00 -1.73 0.00 0.00 68.15 67.83 1hl4 h THR 54 CO 0.11 0.03 -0.93 0.00 -0.25 0.00 0.00 175.52 174.48 1hl4 n ALA 55 N -2.58 4.22 -0.06 6.62 0.00 -1.26 -5.08 120.51 122.37 1hl4 n ALA 55 Ca 0.09 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1hl4 n ALA 55 Cb 0.49 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1hl4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 56 N -0.46 -1.58 0.29 0.00 0.00 -0.71 -3.98 105.19 98.75 1hl4 n GLY 56 Ca 0.27 -1.32 0.16 0.00 0.00 0.00 0.00 46.02 45.14 1hl4 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hl4 h THR 58 N 0.00 1.20 0.00 0.00 2.02 -1.90 -2.75 112.91 111.48 1hl4 h THR 58 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1hl4 h THR 58 Cb 0.19 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1hl4 h THR 58 CO 0.01 0.27 0.00 -1.20 0.37 0.00 0.00 175.52 174.97 1hl4 n SER 59 N -4.26 0.08 0.23 4.18 7.64 -0.89 -3.05 113.62 117.55 1hl4 n SER 59 Ca 0.00 0.52 0.16 0.00 1.01 0.00 0.00 58.87 60.56 1hl4 n SER 59 Cb 0.27 -0.54 0.78 0.00 -1.01 0.00 0.00 64.21 63.72 1hl4 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hl4 h ALA 60 N 2.48 1.00 -0.12 -0.43 0.00 -1.14 -3.42 119.26 117.64 1hl4 h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hl4 h ALA 60 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hl4 h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1hl4 n GLY 61 N -0.70 -1.14 3.93 0.00 0.00 -1.17 -0.49 105.19 105.61 1hl4 n GLY 61 Ca -0.01 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1hl4 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hl4 s PRO 62 N 0.00 0.86 0.18 1.61 0.04 -1.26 -4.69 135.00 131.75 1hl4 s PRO 62 Ca 0.00 -0.42 -0.33 0.00 0.04 0.00 0.00 61.00 60.28 1hl4 s PRO 62 Cb 0.00 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1hl4 s PRO 62 CO 0.00 -2.25 1.48 0.72 0.04 0.00 0.00 177.00 177.00 1hl4 n HIS 63 N -3.64 2.13 -1.68 0.56 8.25 -1.26 -0.79 115.22 118.79 1hl4 n HIS 63 Ca 0.14 0.37 -0.44 0.00 -0.26 0.00 0.00 57.72 57.54 1hl4 n HIS 63 Cb 0.60 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 1hl4 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1hl4 n PHE 64 N 2.76 2.51 -3.08 4.41 7.35 -0.16 -4.49 117.46 126.76 1hl4 n PHE 64 Ca 0.15 -0.05 -0.01 0.00 -0.76 0.00 0.00 57.45 56.79 1hl4 n PHE 64 Cb 0.29 -2.69 -0.01 0.00 0.35 0.00 0.00 39.48 37.42 1hl4 n PHE 64 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1hl4 s ASN 65 N 2.63 -1.47 0.46 -2.13 2.47 -1.26 -1.03 114.94 114.61 1hl4 s ASN 65 Ca 0.83 -1.07 0.13 0.00 0.42 0.00 0.00 52.86 53.17 1hl4 s ASN 65 Cb -0.55 1.92 1.07 0.00 -1.45 0.00 0.00 41.25 42.24 1hl4 s ASN 65 CO 0.40 -0.14 2.06 1.55 -3.72 0.00 0.00 177.10 177.25 1hl4 h PRO 66 N 6.43 0.30 0.00 0.43 0.13 -1.92 -3.38 132.00 133.99 1hl4 h PRO 66 Ca 0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1hl4 h PRO 66 Cb 1.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hl4 h PRO 66 CO 0.08 0.20 -0.33 1.28 -0.23 0.00 0.00 178.00 178.99 1hl4 n LEU 67 N -4.48 1.33 -0.21 1.56 7.99 -1.26 -5.20 117.00 116.72 1hl4 n LEU 67 Ca 0.04 0.20 0.20 0.00 -0.01 0.00 0.00 56.01 56.44 1hl4 n LEU 67 Cb 0.21 -0.46 0.37 0.00 -0.11 0.00 0.00 43.42 43.42 1hl4 n LEU 67 CO 0.35 -0.58 0.66 -1.20 -1.51 0.00 0.00 177.39 175.10 1hl4 n SER 68 N -3.76 0.19 0.00 -1.43 7.64 -1.26 -5.25 113.62 109.74 1hl4 n SER 68 Ca -0.05 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1hl4 n SER 68 Cb 0.17 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1hl4 n SER 68 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1hl4 n ARG 79 N -4.23 0.00 -2.74 1.43 1.85 -1.26 -5.62 116.66 106.09 1hl4 n ARG 79 Ca 0.23 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.75 1hl4 n ARG 79 Cb 0.81 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.16 1hl4 n ARG 79 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1hl4 s HIS 80 N 0.00 3.22 0.16 2.89 0.00 -1.26 -4.97 115.29 115.33 1hl4 s HIS 80 Ca 0.00 1.60 -0.16 0.00 -3.00 0.00 0.00 55.06 53.50 1hl4 s HIS 80 Cb 0.00 -2.91 0.09 0.00 -4.00 0.00 0.00 32.58 25.75 1hl4 s HIS 80 CO 0.00 -0.31 1.71 0.28 -1.00 0.00 0.00 174.74 175.42 1hl4 h VAL 81 N 1.82 0.75 0.00 -5.38 2.07 -1.92 -1.95 116.25 111.64 1hl4 h VAL 81 Ca -0.49 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1hl4 h VAL 81 Cb 1.19 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1hl4 h VAL 81 CO 0.60 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1hl4 n GLY 82 N -1.25 -0.54 3.55 2.17 0.00 -0.20 -4.44 105.19 104.49 1hl4 n GLY 82 Ca 0.02 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1hl4 n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hl4 s ASP 83 N -2.92 5.62 -0.27 1.61 -1.08 -0.74 -0.90 116.67 117.99 1hl4 s ASP 83 Ca 0.01 -0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.11 1hl4 s ASP 83 Cb 0.01 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.65 1hl4 s ASP 83 CO 0.04 -2.17 1.71 0.18 0.52 0.00 0.00 175.17 175.44 1hl4 n LEU 84 N 11.47 5.50 0.00 -1.34 4.77 -0.49 -4.93 117.00 131.98 1hl4 n LEU 84 Ca 0.15 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1hl4 n LEU 84 Cb 0.51 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1hl4 n LEU 84 CO 0.70 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 1hl4 n GLY 85 N -0.04 1.09 3.40 -0.72 0.00 -1.22 -4.76 105.19 102.93 1hl4 n GLY 85 Ca 0.33 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1hl4 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hl4 s ASN 86 N -4.00 3.09 0.25 1.61 0.01 -1.26 -0.59 114.94 114.05 1hl4 s ASN 86 Ca 0.00 -0.97 0.09 0.00 -0.71 0.00 0.00 52.86 51.28 1hl4 s ASN 86 Cb 0.00 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 1hl4 s ASN 86 CO 0.00 -0.02 -0.01 0.68 -1.51 0.00 0.00 177.10 176.24 1hl4 s VAL 87 N -2.41 3.47 -0.19 1.60 -7.23 0.22 -4.88 120.40 110.99 1hl4 s VAL 87 Ca 0.23 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1hl4 s VAL 87 Cb -0.04 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1hl4 s VAL 87 CO 0.10 -0.33 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.50 1hl4 s THR 88 N -2.21 2.00 -0.05 5.32 2.01 -1.26 -0.87 115.64 120.59 1hl4 s THR 88 Ca 0.30 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1hl4 s THR 88 Cb -0.07 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 1hl4 s THR 88 CO 0.19 0.43 0.53 0.00 -0.69 0.00 0.00 174.62 175.09 1hl4 s ALA 89 N 1.29 3.50 1.00 7.40 0.00 0.25 -3.99 121.76 131.22 1hl4 s ALA 89 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1hl4 s ALA 89 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1hl4 s ALA 89 CO -0.11 0.14 0.00 -0.40 0.00 0.00 0.00 175.76 175.38 1hl4 n ASP 90 N 2.99 -0.33 0.22 0.00 5.68 -0.37 -0.03 116.55 124.71 1hl4 n ASP 90 Ca -0.08 -0.73 0.07 0.00 -0.50 0.00 0.00 54.79 53.56 1hl4 n ASP 90 Cb 0.51 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.02 1hl4 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1hl4 h LYS 91 N 0.00 0.00 -0.88 0.11 5.09 -1.97 -2.47 116.57 116.45 1hl4 h LYS 91 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.50 1hl4 h LYS 91 Cb 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 32.18 1hl4 h LYS 91 CO 0.00 0.23 0.31 -0.25 -2.09 0.00 0.00 179.45 177.65 1hl4 n ASP 92 N -4.00 3.95 -0.13 7.07 8.00 -1.26 -4.82 116.55 125.36 1hl4 n ASP 92 Ca -0.02 -3.02 -0.02 0.00 0.71 0.00 0.00 54.79 52.45 1hl4 n ASP 92 Cb 0.30 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 1hl4 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl4 n GLY 93 N -0.28 0.38 3.44 0.44 0.00 -0.93 -4.75 105.19 103.49 1hl4 n GLY 93 Ca 0.36 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1hl4 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hl4 s VAL 94 N -1.59 4.31 -0.28 1.61 1.01 -1.26 -2.14 120.40 122.07 1hl4 s VAL 94 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1hl4 s VAL 94 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1hl4 s VAL 94 CO 0.00 0.33 0.11 0.00 0.00 0.00 0.00 175.10 175.54 1hl4 s ALA 95 N 1.61 3.22 -0.07 5.51 0.00 0.62 -1.24 121.76 131.42 1hl4 s ALA 95 Ca 0.06 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 1hl4 s ALA 95 Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1hl4 s ALA 95 CO 0.04 -0.67 0.47 -0.51 0.00 0.00 0.00 175.76 175.08 1hl4 s ASP 96 N 1.62 6.76 -0.11 0.00 1.11 -1.26 -1.22 116.67 123.57 1hl4 s ASP 96 Ca 0.05 0.90 0.01 0.00 0.18 0.00 0.00 52.55 53.70 1hl4 s ASP 96 Cb -0.16 -2.29 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 1hl4 s ASP 96 CO 0.05 0.12 -0.13 -0.69 1.18 0.00 0.00 175.17 175.69 1hl4 s VAL 97 N -0.01 3.06 -0.25 -1.27 1.01 -0.07 -4.73 120.40 118.13 1hl4 s VAL 97 Ca 0.26 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1hl4 s VAL 97 Cb -0.16 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.09 1hl4 s VAL 97 CO 0.12 0.54 0.38 -0.55 0.00 0.00 0.00 175.10 175.59 1hl4 s SER 98 N 0.08 0.34 -0.00 3.32 0.15 -1.25 -1.73 113.70 114.61 1hl4 s SER 98 Ca -0.06 0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1hl4 s SER 98 Cb -0.15 1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 65.24 1hl4 s SER 98 CO 0.04 -0.31 -0.09 -0.63 1.20 0.00 0.00 173.24 173.45 1hl4 s ILE 99 N 2.54 0.70 -0.16 6.45 1.01 0.73 -5.01 121.20 127.44 1hl4 s ILE 99 Ca 0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1hl4 s ILE 99 Cb -0.15 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1hl4 s ILE 99 CO -0.19 0.15 -0.08 -0.70 0.00 0.00 0.00 174.94 174.12 1hl4 s GLU 100 N -0.32 3.46 -0.02 2.79 2.12 -1.26 0.34 118.70 125.80 1hl4 s GLU 100 Ca 0.03 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 54.77 1hl4 s GLU 100 Cb -0.04 -2.82 -0.00 0.00 0.26 0.00 0.00 34.13 31.52 1hl4 s GLU 100 CO -0.00 0.10 -0.12 0.34 -0.54 0.00 0.00 175.26 175.03 1hl4 s ASP 101 N 0.70 1.50 -0.06 -1.70 2.15 -0.21 -4.97 116.67 114.08 1hl4 s ASP 101 Ca -0.04 -0.23 0.13 0.00 0.43 0.00 0.00 52.55 52.84 1hl4 s ASP 101 Cb -0.15 -0.30 0.41 0.00 -0.30 0.00 0.00 42.92 42.58 1hl4 s ASP 101 CO 0.02 0.12 1.34 -1.20 -0.17 0.00 0.00 175.17 175.28 1hl4 n SER 102 N 3.03 3.37 -0.08 -0.34 7.64 -1.26 -0.23 113.62 125.75 1hl4 n SER 102 Ca -0.16 -2.33 -0.16 0.00 1.01 0.00 0.00 58.87 57.23 1hl4 n SER 102 Cb 0.55 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1hl4 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1hl4 n VAL 103 N 0.29 0.83 -1.45 0.44 0.31 -1.26 -4.94 118.33 112.54 1hl4 n VAL 103 Ca 0.16 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 1hl4 n VAL 103 Cb 0.60 -1.63 0.08 0.00 -0.91 0.00 0.00 33.84 31.98 1hl4 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hl4 s ILE 104 N -2.28 2.97 0.05 2.52 -4.36 -1.26 -4.86 121.20 113.98 1hl4 s ILE 104 Ca -0.21 0.40 -0.02 0.00 -0.26 0.00 0.00 60.65 60.56 1hl4 s ILE 104 Cb 0.08 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 1hl4 s ILE 104 CO 0.27 -0.33 0.00 -0.55 0.24 0.00 0.00 174.94 174.58 1hl4 s SER 105 N -2.71 0.40 0.00 4.36 0.15 -1.01 -4.60 113.70 110.29 1hl4 s SER 105 Ca 0.67 -0.86 0.23 0.00 0.70 0.00 0.00 55.95 56.69 1hl4 s SER 105 Cb -0.21 0.20 0.74 0.00 -1.71 0.00 0.00 66.02 65.04 1hl4 s SER 105 CO 0.48 -0.56 1.56 0.18 1.20 0.00 0.00 173.24 176.09 1hl4 n LEU 106 N 0.36 1.93 -3.96 3.45 4.77 -1.26 -1.54 117.00 120.74 1hl4 n LEU 106 Ca -0.16 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 54.95 1hl4 n LEU 106 Cb 0.60 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1hl4 n LEU 106 CO 0.26 0.38 0.29 -0.94 -1.33 0.00 0.00 177.39 176.05 1hl4 s SER 107 N -1.68 0.27 0.70 -1.43 1.04 -1.26 -3.81 113.70 107.52 1hl4 s SER 107 Ca 0.34 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1hl4 s SER 107 Cb 0.19 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1hl4 s SER 107 CO 0.29 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1hl4 n GLY 108 N -0.49 0.38 0.24 7.32 0.00 -1.26 -3.31 105.19 108.07 1hl4 n GLY 108 Ca -0.03 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1hl4 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl4 h ASP 109 N 3.88 0.00 -0.63 1.61 3.58 -2.01 -2.34 116.42 120.52 1hl4 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1hl4 h ASP 109 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1hl4 h ASP 109 CO 0.00 0.14 0.00 1.41 -2.88 0.00 0.00 179.24 177.91 1hl4 n HIS 110 N -3.24 1.42 -1.69 0.28 8.25 -1.26 -4.91 115.22 114.07 1hl4 n HIS 110 Ca 0.01 -0.61 -0.44 0.00 -0.26 0.00 0.00 57.72 56.42 1hl4 n HIS 110 Cb 0.42 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1hl4 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl4 n ILE 112 N 4.36 0.00 -1.68 0.00 -5.35 -0.59 -4.91 119.36 111.19 1hl4 n ILE 112 Ca 0.18 -0.04 -0.45 0.00 -0.27 0.00 0.00 62.75 62.17 1hl4 n ILE 112 Cb 0.34 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.21 1hl4 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1hl4 n ILE 113 N -1.45 0.36 -0.27 7.28 5.41 -1.26 -1.40 119.36 128.03 1hl4 n ILE 113 Ca 0.04 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1hl4 n ILE 113 Cb 0.31 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1hl4 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hl4 n GLY 114 N 4.09 0.70 3.71 7.39 0.00 0.09 -5.00 105.19 116.17 1hl4 n GLY 114 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1hl4 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl4 n ARG 115 N -2.08 0.67 -3.99 1.61 1.74 -0.49 -2.18 116.66 111.94 1hl4 n ARG 115 Ca 0.00 -3.18 -0.35 0.00 -0.77 0.00 0.00 57.85 53.55 1hl4 n ARG 115 Cb 0.00 0.10 -0.11 0.00 -1.02 0.00 0.00 32.46 31.43 1hl4 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1hl4 s THR 116 N -2.56 4.56 0.03 0.55 2.01 -1.15 0.74 115.64 119.82 1hl4 s THR 116 Ca 0.42 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.08 1hl4 s THR 116 Cb -0.03 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1hl4 s THR 116 CO 0.27 0.43 0.73 -0.22 -0.69 0.00 0.00 174.62 175.13 1hl4 s LEU 117 N 0.72 4.44 -0.06 4.42 2.96 -0.38 0.09 118.68 130.86 1hl4 s LEU 117 Ca 0.03 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1hl4 s LEU 117 Cb -0.13 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.42 1hl4 s LEU 117 CO 0.02 0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 1hl4 s VAL 118 N -0.05 0.63 -0.29 1.68 1.01 0.11 -2.46 120.40 121.03 1hl4 s VAL 118 Ca 0.37 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1hl4 s VAL 118 Cb -0.20 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1hl4 s VAL 118 CO 0.21 0.26 0.32 0.54 0.00 0.00 0.00 175.10 176.44 1hl4 s VAL 119 N 1.17 5.21 0.52 2.92 0.11 -0.68 -1.72 120.40 127.93 1hl4 s VAL 119 Ca -0.07 0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1hl4 s VAL 119 Cb -0.14 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1hl4 s VAL 119 CO -0.01 0.11 0.85 -1.00 -3.33 0.00 0.00 175.10 171.72 1hl4 s HIS 120 N 1.98 3.53 0.08 1.54 3.76 0.34 -1.76 115.29 124.76 1hl4 s HIS 120 Ca 0.12 0.88 -0.30 0.00 -0.15 0.00 0.00 55.06 55.61 1hl4 s HIS 120 Cb -0.16 -2.44 -0.16 0.00 1.11 0.00 0.00 32.58 30.93 1hl4 s HIS 120 CO 0.11 -0.43 1.65 1.49 -0.85 0.00 0.00 174.74 176.71 1hl4 h GLU 121 N 0.07 -0.62 -6.19 1.40 4.81 -0.40 -3.35 114.58 110.28 1hl4 h GLU 121 Ca -0.46 0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.29 1hl4 h GLU 121 Cb 1.21 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1hl4 h GLU 121 CO 0.62 -0.42 -0.53 0.15 -0.73 0.00 0.00 179.01 178.10 1hl4 s LYS 122 N -6.08 2.97 0.53 1.92 3.01 -1.26 -4.79 119.74 116.04 1hl4 s LYS 122 Ca -0.16 -0.96 -0.21 0.00 -1.01 0.00 0.00 55.97 53.63 1hl4 s LYS 122 Cb 0.05 -2.62 -0.07 0.00 -1.01 0.00 0.00 37.83 34.17 1hl4 s LYS 122 CO 0.63 0.43 0.98 0.00 0.51 0.00 0.00 175.35 177.91 1hl4 n ALA 123 N -0.90 0.21 -1.49 5.17 0.00 -0.94 -1.66 120.51 120.90 1hl4 n ALA 123 Ca -0.08 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1hl4 n ALA 123 Cb 0.57 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 1hl4 n ALA 123 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hl4 n ASP 124 N -0.25 0.83 0.00 0.00 2.03 -1.26 -4.66 116.55 113.23 1hl4 n ASP 124 Ca 0.12 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.31 1hl4 n ASP 124 Cb 0.44 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1hl4 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hl4 n GLY 141 N 5.99 2.54 3.39 0.27 0.00 -1.26 -5.01 105.19 111.11 1hl4 n GLY 141 Ca 0.37 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1hl4 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hl4 n SER 142 N 0.00 -2.00 -4.42 1.61 3.41 -1.26 -4.14 113.62 106.82 1hl4 n SER 142 Ca 0.00 -0.12 -0.44 0.00 -0.26 0.00 0.00 58.87 58.05 1hl4 n SER 142 Cb 0.00 -1.13 -0.08 0.00 -0.26 0.00 0.00 64.21 62.75 1hl4 n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hl4 s ARG 143 N -3.95 3.03 0.05 4.33 0.52 -1.26 0.20 118.95 121.86 1hl4 s ARG 143 Ca 0.63 -1.15 -0.21 0.00 -0.52 0.00 0.00 55.73 54.48 1hl4 s ARG 143 Cb -0.19 -4.10 -0.13 0.00 0.52 0.00 0.00 34.95 31.05 1hl4 s ARG 143 CO 0.66 -1.05 1.44 -0.07 0.02 0.00 0.00 175.30 176.30 1hl4 h LEU 144 N 9.03 0.29 -7.12 2.53 3.38 -1.64 -3.46 115.31 118.32 1hl4 h LEU 144 Ca -0.28 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 1hl4 h LEU 144 Cb 1.11 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.61 1hl4 h LEU 144 CO 0.88 0.59 0.10 0.00 0.09 0.00 0.00 178.44 180.10 1hl4 s ALA 145 N -4.75 -1.48 0.38 1.53 0.00 -1.20 -4.00 121.76 112.24 1hl4 s ALA 145 Ca -0.14 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1hl4 s ALA 145 Cb 0.06 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.53 1hl4 s ALA 145 CO 0.73 -0.49 0.65 0.00 0.00 0.00 0.00 175.76 176.64 1hl4 s GLY 147 N -3.16 0.05 0.13 0.00 0.00 -1.03 -0.75 107.32 102.56 1hl4 s GLY 147 Ca 0.23 2.78 -0.30 0.00 0.00 0.00 0.00 44.72 47.42 1hl4 s GLY 147 CO 0.16 1.25 1.03 0.14 0.00 0.00 0.00 173.10 175.69 1hl4 s VAL 148 N -0.82 4.24 -0.14 1.40 1.01 -1.26 -1.25 120.40 123.58 1hl4 s VAL 148 Ca 0.06 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 1hl4 s VAL 148 Cb -0.02 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1hl4 s VAL 148 CO -0.07 0.29 1.28 -0.63 0.00 0.00 0.00 175.10 175.96 1hl4 s ILE 149 N 0.01 4.23 0.19 2.22 1.01 0.23 -4.62 121.20 124.46 1hl4 s ILE 149 Ca 0.49 1.50 0.11 0.00 0.00 0.00 0.00 60.65 62.74 1hl4 s ILE 149 Cb -0.26 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1hl4 s ILE 149 CO 0.32 -0.11 -0.21 -0.83 0.00 0.00 0.00 174.94 174.10 1hl4 s GLY 150 N 1.97 1.72 0.18 6.18 0.00 0.19 -0.73 107.32 116.83 1hl4 s GLY 150 Ca 0.56 -1.61 -0.32 0.00 0.00 0.00 0.00 44.72 43.35 1hl4 s GLY 150 CO 0.17 -1.64 1.59 -0.42 0.00 0.00 0.00 173.10 172.80 1hl4 s ILE 151 N -1.68 2.51 0.24 0.90 1.01 -1.26 -1.10 121.20 121.81 1hl4 s ILE 151 Ca 0.22 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.33 1hl4 s ILE 151 Cb -0.08 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1hl4 s ILE 151 CO 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 174.94 174.99 1hl4 s ALA 152 N 1.08 2.97 -2.00 9.38 0.00 -0.40 -4.79 121.76 128.00 1hl4 s ALA 152 Ca 0.70 -1.66 0.16 0.00 0.00 0.00 0.00 51.96 51.16 1hl4 s ALA 152 Cb -0.45 -0.61 0.95 0.00 0.00 0.00 0.00 23.12 23.00 1hl4 s ALA 152 CO 0.32 0.33 1.36 0.94 0.00 0.00 0.00 175.76 178.71