#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 0.00 -4.79 0.00 -2.24 -1.26 -4.68 114.28 101.30 1hl4 n THR 2 Ca 0.00 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1hl4 n THR 2 Cb 0.00 0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.61 1.49 0.09 -0.78 1.02 -1.26 -0.11 119.74 117.58 1hl4 s LYS 3 Ca -0.02 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 1hl4 s LYS 3 Cb 0.07 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 1hl4 s LYS 3 CO 0.46 0.40 0.06 0.00 -0.92 0.00 0.00 175.35 175.36 1hl4 s ALA 4 N -0.64 0.46 -0.01 5.17 0.00 0.46 -0.98 121.76 126.23 1hl4 s ALA 4 Ca 0.07 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1hl4 s ALA 4 Cb -0.08 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1hl4 s ALA 4 CO 0.01 -0.46 0.23 0.54 0.00 0.00 0.00 175.76 176.08 1hl4 s VAL 5 N -3.96 0.07 -0.05 0.00 0.11 -0.19 -0.50 120.40 115.88 1hl4 s VAL 5 Ca 0.13 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1hl4 s VAL 5 Cb 0.07 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1hl4 s VAL 5 CO -0.05 -0.31 -0.02 0.00 -3.33 0.00 0.00 175.10 171.39 1hl4 s VAL 7 N 1.18 5.10 -0.25 0.00 1.01 -1.26 -0.53 120.40 125.64 1hl4 s VAL 7 Ca -0.07 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1hl4 s VAL 7 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1hl4 s VAL 7 CO -0.02 -0.01 0.37 -0.76 0.00 0.00 0.00 175.10 174.68 1hl4 s LEU 8 N 2.23 4.07 0.03 3.92 1.02 0.35 -3.55 118.68 126.75 1hl4 s LEU 8 Ca 0.17 0.34 -0.02 0.00 0.02 0.00 0.00 54.13 54.64 1hl4 s LEU 8 Cb -0.16 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 1hl4 s LEU 8 CO 0.11 -0.15 0.01 -0.54 0.02 0.00 0.00 176.35 175.81 1hl4 s LYS 9 N 1.84 0.49 0.00 1.70 3.01 -0.67 -1.77 119.74 124.35 1hl4 s LYS 9 Ca 0.16 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.28 1hl4 s LYS 9 Cb -0.15 0.18 0.00 0.00 -1.01 0.00 0.00 37.83 36.85 1hl4 s LYS 9 CO 0.09 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.26 1hl4 n GLY 10 N 0.89 3.33 0.24 -3.33 0.00 -1.24 -1.17 105.19 103.90 1hl4 n GLY 10 Ca -0.19 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.63 1hl4 n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1hl4 h ASP 11 N 0.00 0.00 0.00 1.61 2.03 -1.91 -3.45 116.42 114.69 1hl4 h ASP 11 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hl4 h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1hl4 h ASP 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1hl4 n GLY 12 N -0.08 4.49 0.18 7.15 0.00 -1.26 -5.04 105.19 110.63 1hl4 n GLY 12 Ca 0.01 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 0.82 -2.29 1.61 -0.04 -1.26 -4.91 135.00 128.93 1hl4 n PRO 13 Ca 0.00 -0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 62.67 1hl4 n PRO 13 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.43 4.06 0.03 0.52 1.01 -1.26 -4.36 120.40 117.98 1hl4 s VAL 14 Ca 0.29 1.28 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 1hl4 s VAL 14 Cb 0.20 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1hl4 s VAL 14 CO 0.47 -0.12 0.17 0.00 0.00 0.00 0.00 175.10 175.63 1hl4 s GLN 15 N 3.68 0.62 -0.09 2.72 -2.07 -0.61 -3.73 119.66 120.19 1hl4 s GLN 15 Ca 0.60 -0.57 -0.33 0.00 -1.82 0.00 0.00 55.36 53.25 1hl4 s GLN 15 Cb -0.25 0.26 0.15 0.00 -1.09 0.00 0.00 33.01 32.07 1hl4 s GLN 15 CO 0.19 -0.17 1.42 0.20 -1.32 0.00 0.00 175.29 175.61 1hl4 s GLY 16 N -1.87 -0.48 -0.14 2.60 0.00 -0.73 -0.26 107.32 106.44 1hl4 s GLY 16 Ca -0.08 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.62 1hl4 s GLY 16 CO -0.02 0.19 -0.16 -0.42 0.00 0.00 0.00 173.10 172.69 1hl4 s ILE 17 N -2.08 1.62 -0.18 0.90 1.01 -0.89 0.13 121.20 121.71 1hl4 s ILE 17 Ca 0.15 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1hl4 s ILE 17 Cb 0.07 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1hl4 s ILE 17 CO -0.06 0.47 -0.13 -0.63 0.00 0.00 0.00 174.94 174.58 1hl4 s ILE 18 N 1.25 2.71 0.17 2.92 -1.09 0.30 -2.33 121.20 125.14 1hl4 s ILE 18 Ca 0.00 -0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 57.64 1hl4 s ILE 18 Cb -0.14 -2.17 -0.06 0.00 -1.58 0.00 0.00 42.46 38.52 1hl4 s ILE 18 CO -0.07 0.50 0.41 0.20 -1.23 0.00 0.00 174.94 174.75 1hl4 s ASN 19 N 1.11 6.49 -0.03 3.58 -0.87 0.36 -1.09 114.94 124.49 1hl4 s ASN 19 Ca 0.00 0.61 0.02 0.00 -1.57 0.00 0.00 52.86 51.93 1hl4 s ASN 19 Cb -0.14 -2.10 0.01 0.00 -0.02 0.00 0.00 41.25 38.99 1hl4 s ASN 19 CO -0.04 0.00 -0.08 -0.36 -2.57 0.00 0.00 177.10 174.05 1hl4 s PHE 20 N -1.74 0.84 -0.06 2.20 0.40 0.35 -1.25 117.98 118.71 1hl4 s PHE 20 Ca 0.42 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1hl4 s PHE 20 Cb -0.12 -0.62 0.04 0.00 0.51 0.00 0.00 43.02 42.83 1hl4 s PHE 20 CO 0.25 -0.10 0.13 -2.00 0.70 0.00 0.00 175.22 174.20 1hl4 s GLU 21 N 0.28 0.05 -0.38 0.44 2.12 -0.71 -0.40 118.70 120.10 1hl4 s GLU 21 Ca -0.04 0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1hl4 s GLU 21 Cb -0.09 -0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.20 1hl4 s GLU 21 CO 0.00 -0.21 0.19 -1.14 -0.54 0.00 0.00 175.26 173.57 1hl4 s GLN 22 N 1.45 0.93 0.26 4.30 0.74 0.84 -0.29 119.66 127.89 1hl4 s GLN 22 Ca -0.06 -1.55 -0.05 0.00 0.05 0.00 0.00 55.36 53.76 1hl4 s GLN 22 Cb -0.12 -1.99 0.31 0.00 1.10 0.00 0.00 33.01 32.31 1hl4 s GLN 22 CO -0.05 -1.12 1.90 0.87 -0.55 0.00 0.00 175.29 176.34 1hl4 h LYS 23 N 7.24 1.17 -6.66 1.67 1.79 -1.80 -3.41 116.57 116.57 1hl4 h LYS 23 Ca -0.04 -0.12 -0.69 0.00 -2.18 0.00 0.00 60.65 57.62 1hl4 h LYS 23 Cb 0.96 -0.24 -0.28 0.00 -1.58 0.00 0.00 32.23 31.09 1hl4 h LYS 23 CO 0.43 0.84 -0.88 -1.21 -1.08 0.00 0.00 179.45 177.54 1hl4 s GLU 24 N -5.84 1.93 0.38 3.15 8.01 -1.26 -5.01 118.70 120.06 1hl4 s GLU 24 Ca -0.12 -1.03 0.28 0.00 0.01 0.00 0.00 54.97 54.11 1hl4 s GLU 24 Cb 0.17 -1.99 1.18 0.00 -4.31 0.00 0.00 34.13 29.18 1hl4 s GLU 24 CO 0.81 0.53 1.83 0.66 0.01 0.00 0.00 175.26 179.11 1hl4 h SER 25 N 5.11 0.00 -0.23 -0.19 4.64 -1.97 -1.19 113.55 119.71 1hl4 h SER 25 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1hl4 h SER 25 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1hl4 h SER 25 CO 0.45 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.95 1hl4 n ASN 26 N -2.59 3.01 -4.50 4.97 6.94 -1.26 -4.94 115.26 116.90 1hl4 n ASN 26 Ca 0.01 -2.41 -0.18 0.00 -0.02 0.00 0.00 54.58 51.98 1hl4 n ASN 26 Cb 0.25 -0.31 0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1hl4 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hl4 n GLY 27 N -0.15 2.17 3.80 4.83 0.00 -0.45 -5.12 105.19 110.27 1hl4 n GLY 27 Ca 0.13 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1hl4 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hl4 s PRO 28 N -4.18 3.14 -0.27 1.61 0.02 -1.26 -4.85 135.00 129.21 1hl4 s PRO 28 Ca 0.46 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 1hl4 s PRO 28 Cb -0.04 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1hl4 s PRO 28 CO 0.29 -0.96 0.25 0.08 -0.33 0.00 0.00 177.00 176.33 1hl4 s VAL 29 N -2.54 5.27 0.00 3.83 1.01 0.85 -4.52 120.40 124.30 1hl4 s VAL 29 Ca 0.63 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1hl4 s VAL 29 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1hl4 s VAL 29 CO 0.41 0.23 1.02 -0.54 0.00 0.00 0.00 175.10 176.22 1hl4 s LYS 30 N 1.76 4.53 -0.23 2.72 1.02 0.60 -1.51 119.74 128.63 1hl4 s LYS 30 Ca 0.10 1.48 0.02 0.00 0.02 0.00 0.00 55.97 57.59 1hl4 s LYS 30 Cb -0.16 -3.45 0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1hl4 s LYS 30 CO 0.10 -0.11 -0.14 0.08 -0.92 0.00 0.00 175.35 174.36 1hl4 s VAL 31 N 1.11 2.13 0.07 3.17 1.01 0.16 -1.74 120.40 126.31 1hl4 s VAL 31 Ca 0.53 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1hl4 s VAL 31 Cb -0.22 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1hl4 s VAL 31 CO 0.27 0.15 0.15 -1.66 0.00 0.00 0.00 175.10 174.02 1hl4 s TRP 32 N 1.16 0.18 -3.72 5.22 -2.14 -0.38 -0.91 118.94 118.36 1hl4 s TRP 32 Ca -0.04 -0.57 0.00 0.00 2.66 0.00 0.00 56.10 58.14 1hl4 s TRP 32 Cb -0.18 -0.10 0.00 0.00 -3.10 0.00 0.00 33.47 30.09 1hl4 s TRP 32 CO -0.08 -0.48 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 1hl4 n GLY 33 N 0.21 0.07 3.08 3.67 0.00 -0.79 0.13 105.19 111.56 1hl4 n GLY 33 Ca -0.16 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1hl4 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hl4 s SER 34 N -4.00 0.02 -0.05 1.61 0.01 -0.98 -0.17 113.70 110.14 1hl4 s SER 34 Ca 0.00 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.12 1hl4 s SER 34 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1hl4 s SER 34 CO 0.00 -0.32 -0.14 -0.63 0.41 0.00 0.00 173.24 172.56 1hl4 s ILE 35 N -1.18 1.22 0.37 1.44 1.01 -0.67 -2.09 121.20 121.31 1hl4 s ILE 35 Ca -0.13 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.04 1hl4 s ILE 35 Cb -0.07 -1.08 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1hl4 s ILE 35 CO 0.01 0.37 -0.02 -1.59 0.00 0.00 0.00 174.94 173.71 1hl4 s LYS 36 N 0.34 1.95 0.00 2.79 -2.85 0.64 0.10 119.74 122.71 1hl4 s LYS 36 Ca -0.09 -1.97 0.00 0.00 -1.00 0.00 0.00 55.97 52.91 1hl4 s LYS 36 Cb -0.13 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 1hl4 s LYS 36 CO 0.03 0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1hl4 n GLY 37 N -0.92 0.60 3.91 0.59 0.00 -1.01 -1.57 105.19 106.80 1hl4 n GLY 37 Ca -0.05 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 4.02 0.65 0.99 2.01 -0.94 -4.28 118.68 121.13 1hl4 s LEU 38 Ca 0.00 0.66 -0.15 0.00 0.01 0.00 0.00 54.13 54.65 1hl4 s LEU 38 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 46.19 42.70 1hl4 s LEU 38 CO 0.00 -0.24 1.10 0.42 1.01 0.00 0.00 176.35 178.64 1hl4 s THR 39 N -2.17 3.35 0.28 5.49 -4.23 -1.26 -3.92 115.64 113.18 1hl4 s THR 39 Ca 0.43 0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 61.27 1hl4 s THR 39 Cb -0.10 -3.16 -0.13 0.00 1.34 0.00 0.00 72.50 70.45 1hl4 s THR 39 CO 0.32 -0.39 1.35 1.21 -0.54 0.00 0.00 174.62 176.57 1hl4 n GLU 40 N -2.34 2.07 0.00 3.99 2.13 -1.26 -4.69 120.64 120.54 1hl4 n GLU 40 Ca 0.10 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1hl4 n GLU 40 Cb 0.52 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.88 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 1.56 -0.53 3.74 8.31 0.00 0.09 -4.94 105.19 113.43 1hl4 n GLY 41 Ca 0.09 -2.20 -0.41 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 4.53 -0.03 0.99 1.02 -1.26 -1.07 118.68 122.87 1hl4 s LEU 42 Ca 0.00 2.09 -0.01 0.00 0.02 0.00 0.00 54.13 56.23 1hl4 s LEU 42 Cb 0.00 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.63 1hl4 s LEU 42 CO 0.00 -0.12 0.04 -1.00 0.02 0.00 0.00 176.35 175.29 1hl4 s HIS 43 N -0.63 0.07 0.35 0.29 3.76 -0.85 -2.27 115.29 116.00 1hl4 s HIS 43 Ca 0.46 0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 55.24 1hl4 s HIS 43 Cb -0.29 -0.32 -0.12 0.00 1.11 0.00 0.00 32.58 32.96 1hl4 s HIS 43 CO 0.36 -0.12 1.39 0.41 -0.85 0.00 0.00 174.74 175.93 1hl4 n GLY 44 N 4.49 0.89 2.72 -2.22 0.00 -0.13 -0.97 105.19 109.98 1hl4 n GLY 44 Ca -0.21 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.04 1.69 0.06 1.61 5.36 -0.33 -0.13 117.98 125.21 1hl4 s PHE 45 Ca 0.55 -1.79 0.06 0.00 -0.96 0.00 0.00 56.93 54.79 1hl4 s PHE 45 Cb -0.53 -1.70 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1hl4 s PHE 45 CO 0.62 -0.87 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.34 1hl4 s HIS 46 N 1.48 1.46 -0.27 10.12 3.76 -0.80 -2.45 115.29 128.58 1hl4 s HIS 46 Ca 0.11 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.45 1hl4 s HIS 46 Cb -0.18 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 1hl4 s HIS 46 CO -0.22 0.09 0.48 0.08 -0.85 0.00 0.00 174.74 174.32 1hl4 s VAL 47 N -1.02 5.09 0.34 -0.90 1.01 -0.39 -0.89 120.40 123.63 1hl4 s VAL 47 Ca 0.03 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1hl4 s VAL 47 Cb -0.09 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1hl4 s VAL 47 CO 0.02 0.07 0.54 -1.00 0.00 0.00 0.00 175.10 174.73 1hl4 s HIS 48 N 2.26 3.50 0.12 5.22 3.76 0.14 -0.58 115.29 129.72 1hl4 s HIS 48 Ca 0.19 0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 55.25 1hl4 s HIS 48 Cb -0.16 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 1hl4 s HIS 48 CO 0.10 0.14 1.70 1.49 -0.85 0.00 0.00 174.74 177.31 1hl4 h GLU 49 N 0.86 -0.07 -5.94 1.40 4.81 -1.08 -2.99 114.58 111.57 1hl4 h GLU 49 Ca -0.50 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.06 1hl4 h GLU 49 Cb 1.22 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.46 1hl4 h GLU 49 CO 0.62 -0.05 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.17 1hl4 s PHE 50 N -6.18 3.17 -0.34 0.92 0.08 0.61 -4.65 117.98 111.59 1hl4 s PHE 50 Ca -0.14 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1hl4 s PHE 50 Cb 0.10 -1.80 -0.12 0.00 -0.57 0.00 0.00 43.02 40.62 1hl4 s PHE 50 CO 0.68 0.47 3.23 0.41 -0.10 0.00 0.00 175.22 179.90 1hl4 n GLY 51 N 2.18 3.66 3.01 4.36 0.00 -1.03 -3.65 105.19 113.71 1hl4 n GLY 51 Ca -0.19 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 1.37 4.34 -0.14 1.61 -1.08 -1.26 -4.96 116.67 116.55 1hl4 s ASP 52 Ca 0.64 -1.50 0.16 0.00 -0.52 0.00 0.00 52.55 51.32 1hl4 s ASP 52 Cb 0.33 -1.44 0.61 0.00 -1.46 0.00 0.00 42.92 40.95 1hl4 s ASP 52 CO -0.09 -0.25 1.52 -3.20 0.52 0.00 0.00 175.17 173.67 1hl4 n ASN 53 N 4.47 4.35 -0.34 -0.34 5.15 -1.26 -2.49 115.26 124.79 1hl4 n ASN 53 Ca -0.09 -2.67 0.15 0.00 -0.60 0.00 0.00 54.58 51.36 1hl4 n ASN 53 Cb 0.43 -0.53 0.35 0.00 -0.53 0.00 0.00 39.78 39.49 1hl4 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1hl4 h THR 54 N 2.92 0.60 -0.54 -0.44 1.35 -1.92 -0.20 112.91 114.68 1hl4 h THR 54 Ca 0.00 -0.22 -0.31 0.00 -0.55 0.00 0.00 66.41 65.33 1hl4 h THR 54 Cb 1.44 -0.09 -0.18 0.00 -1.73 0.00 0.00 68.15 67.58 1hl4 h THR 54 CO 0.24 0.12 0.05 0.00 -0.25 0.00 0.00 175.52 175.68 1hl4 n ALA 55 N -2.34 4.76 0.00 6.62 0.00 -1.26 -5.07 120.51 123.22 1hl4 n ALA 55 Ca 0.25 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1hl4 n ALA 55 Cb 0.66 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.08 -1.97 0.40 0.00 0.00 -0.09 -4.34 105.19 98.10 1hl4 n GLY 56 Ca 0.41 -1.62 0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 0.23 0.93 0.00 0.00 1.35 -1.91 -1.22 112.91 112.29 1hl4 h THR 58 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1hl4 h THR 58 Cb 1.11 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1hl4 h THR 58 CO -0.08 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.65 1hl4 n SER 59 N -4.50 0.00 0.03 5.36 3.41 -0.87 -2.14 113.62 114.91 1hl4 n SER 59 Ca 0.00 0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.89 1hl4 n SER 59 Cb 0.21 -0.37 0.40 0.00 -0.26 0.00 0.00 64.21 64.19 1hl4 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl4 n ALA 60 N -1.37 1.80 -0.50 7.33 0.00 -0.46 -4.44 120.51 122.87 1hl4 n ALA 60 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1hl4 n ALA 60 Cb 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1hl4 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 61 N 0.29 0.10 2.26 0.00 0.00 -0.91 -0.28 105.19 106.65 1hl4 n GLY 61 Ca 0.04 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1hl4 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl4 n PRO 62 N 0.00 -1.20 -2.01 1.61 -0.04 -1.26 -4.63 135.00 127.47 1hl4 n PRO 62 Ca 0.00 -1.18 -0.38 0.00 -0.04 0.00 0.00 63.50 61.90 1hl4 n PRO 62 Cb 0.00 -0.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1hl4 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hl4 s HIS 63 N -2.59 2.55 -0.36 0.54 3.76 -1.26 -1.13 115.29 116.80 1hl4 s HIS 63 Ca 0.45 1.46 -0.28 0.00 -0.15 0.00 0.00 55.06 56.53 1hl4 s HIS 63 Cb -0.02 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 1hl4 s HIS 63 CO 0.32 -2.24 2.02 0.12 -0.85 0.00 0.00 174.74 174.12 1hl4 s PHE 64 N -1.43 1.49 -0.38 1.40 5.36 0.26 -4.26 117.98 120.40 1hl4 s PHE 64 Ca 0.69 0.76 0.09 0.00 -0.96 0.00 0.00 56.93 57.51 1hl4 s PHE 64 Cb -0.34 -3.98 0.29 0.00 -0.34 0.00 0.00 43.02 38.64 1hl4 s PHE 64 CO 0.41 -3.14 0.60 -1.71 -1.46 0.00 0.00 175.22 169.92 1hl4 n ASN 65 N 11.88 0.36 0.25 6.13 5.15 -1.26 -1.08 115.26 136.68 1hl4 n ASN 65 Ca 0.27 -2.82 0.13 0.00 -0.60 0.00 0.00 54.58 51.56 1hl4 n ASN 65 Cb 0.48 -0.59 0.57 0.00 -0.53 0.00 0.00 39.78 39.71 1hl4 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1hl4 h PRO 66 N 3.64 0.00 -0.54 1.20 0.13 -1.96 -2.37 132.00 132.10 1hl4 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1hl4 h PRO 66 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1hl4 h PRO 66 CO 0.47 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 1hl4 n LEU 67 N -3.27 2.98 -3.47 1.56 4.77 -1.26 -4.97 117.00 113.35 1hl4 n LEU 67 Ca 0.00 -1.48 -0.25 0.00 -0.03 0.00 0.00 56.01 54.25 1hl4 n LEU 67 Cb 0.37 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1hl4 n LEU 67 CO 0.30 0.74 0.07 -1.20 -1.33 0.00 0.00 177.39 175.98 1hl4 n SER 68 N 1.14 -5.34 -4.96 -1.43 7.64 -0.89 -4.99 113.62 104.79 1hl4 n SER 68 Ca 0.19 -0.50 -0.21 0.00 1.01 0.00 0.00 58.87 59.35 1hl4 n SER 68 Cb 0.47 -4.29 0.04 0.00 -1.01 0.00 0.00 64.21 59.43 1hl4 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl4 s ARG 69 N -6.16 2.48 0.62 1.43 0.52 -1.26 -5.09 118.95 111.50 1hl4 s ARG 69 Ca 0.49 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.85 1hl4 s ARG 69 Cb -0.23 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 1hl4 s ARG 69 CO 0.60 -0.78 0.97 -1.59 0.02 0.00 0.00 175.30 174.52 1hl4 s LYS 70 N -4.81 3.12 0.31 3.54 -2.85 -1.26 -4.63 119.74 113.17 1hl4 s LYS 70 Ca 0.58 0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 55.58 1hl4 s LYS 70 Cb -0.10 -2.17 -0.10 0.00 -2.06 0.00 0.00 37.83 33.39 1hl4 s LYS 70 CO 0.39 -0.71 1.30 -1.58 0.10 0.00 0.00 175.35 174.85 1hl4 s HIS 71 N -3.11 3.11 0.13 1.78 5.65 -1.02 -3.34 115.29 118.50 1hl4 s HIS 71 Ca 0.54 1.41 -0.01 0.00 0.25 0.00 0.00 55.06 57.25 1hl4 s HIS 71 Cb -0.11 -3.65 0.01 0.00 -1.18 0.00 0.00 32.58 27.65 1hl4 s HIS 71 CO 0.49 -1.79 0.19 0.41 -0.65 0.00 0.00 174.74 173.40 1hl4 n GLY 72 N 1.01 2.61 3.91 1.59 0.00 -1.25 -4.28 105.19 108.78 1hl4 n GLY 72 Ca 0.01 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1hl4 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hl4 s GLY 73 N -1.78 1.61 0.48 -0.02 0.00 -1.21 -4.69 107.32 101.72 1hl4 s GLY 73 Ca 0.10 -0.63 0.28 0.00 0.00 0.00 0.00 44.72 44.46 1hl4 s GLY 73 CO 0.07 -0.52 1.82 -0.56 0.00 0.00 0.00 173.10 173.90 1hl4 h PRO 74 N 1.02 0.16 -0.01 2.90 0.13 -1.89 0.40 132.00 134.71 1hl4 h PRO 74 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1hl4 h PRO 74 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1hl4 h PRO 74 CO 0.63 0.11 -0.06 1.63 -0.23 0.00 0.00 178.00 180.09 1hl4 n LYS 75 N -4.38 1.03 -3.04 0.86 5.02 -1.26 -4.86 118.16 111.53 1hl4 n LYS 75 Ca 0.23 -0.37 -0.37 0.00 -2.02 0.00 0.00 58.31 55.78 1hl4 n LYS 75 Cb 1.02 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 1hl4 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hl4 s ASP 76 N -2.22 7.15 0.12 4.39 1.01 0.14 -4.95 116.67 122.31 1hl4 s ASP 76 Ca 0.36 1.51 -0.19 0.00 0.71 0.00 0.00 52.55 54.94 1hl4 s ASP 76 Cb 0.21 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.62 1hl4 s ASP 76 CO 0.41 0.05 1.77 1.05 0.21 0.00 0.00 175.17 178.66 1hl4 h GLU 77 N 3.55 0.29 -5.35 8.23 4.11 -1.89 -3.38 114.58 120.14 1hl4 h GLU 77 Ca -0.48 -0.02 -0.66 0.00 0.07 0.00 0.00 59.36 58.28 1hl4 h GLU 77 Cb 1.20 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 1hl4 h GLU 77 CO 0.65 0.21 0.15 -2.00 0.07 0.00 0.00 179.01 178.10 1hl4 s GLU 78 N -6.11 3.25 -0.01 1.06 2.56 -1.26 -4.99 118.70 113.19 1hl4 s GLU 78 Ca -0.13 -0.48 -0.29 0.00 0.00 0.00 0.00 54.97 54.06 1hl4 s GLU 78 Cb 0.09 -4.00 0.10 0.00 2.00 0.00 0.00 34.13 32.32 1hl4 s GLU 78 CO 0.70 -1.11 0.92 -0.98 -0.56 0.00 0.00 175.26 174.23 1hl4 s ARG 79 N 2.90 0.79 0.63 4.30 1.04 -1.21 -3.81 118.95 123.58 1hl4 s ARG 79 Ca 0.22 -0.30 -0.17 0.00 -1.04 0.00 0.00 55.73 54.43 1hl4 s ARG 79 Cb -0.15 0.36 -0.02 0.00 -2.04 0.00 0.00 34.95 33.10 1hl4 s ARG 79 CO 0.17 -0.35 1.15 -1.01 -0.04 0.00 0.00 175.30 175.22 1hl4 s HIS 80 N -3.07 2.50 0.34 5.89 3.76 -1.25 -4.71 115.29 118.76 1hl4 s HIS 80 Ca 0.06 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.58 1hl4 s HIS 80 Cb -0.01 -3.31 0.72 0.00 1.11 0.00 0.00 32.58 31.09 1hl4 s HIS 80 CO -0.08 -1.90 1.91 0.28 -0.85 0.00 0.00 174.74 174.09 1hl4 h VAL 81 N 0.47 0.95 -0.01 -0.90 2.07 -1.87 -2.17 116.25 114.78 1hl4 h VAL 81 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl4 h VAL 81 Cb 1.27 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1hl4 h VAL 81 CO 0.54 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1hl4 n GLY 82 N -1.43 -0.93 3.48 2.17 0.00 -0.24 -4.45 105.19 103.79 1hl4 n GLY 82 Ca 0.14 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1hl4 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hl4 s ASP 83 N -1.10 6.57 -0.28 1.61 1.01 -0.82 -1.27 116.67 122.39 1hl4 s ASP 83 Ca 0.06 -1.82 0.12 0.00 0.71 0.00 0.00 52.55 51.61 1hl4 s ASP 83 Cb 0.03 -2.45 0.67 0.00 1.01 0.00 0.00 42.92 42.18 1hl4 s ASP 83 CO 0.04 -1.21 1.67 0.18 0.21 0.00 0.00 175.17 176.06 1hl4 n LEU 84 N 7.24 5.28 0.00 1.23 4.77 -1.02 -3.43 117.00 131.07 1hl4 n LEU 84 Ca 0.25 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1hl4 n LEU 84 Cb 0.49 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1hl4 n LEU 84 CO 0.55 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1hl4 n GLY 85 N -0.35 2.69 3.02 -0.72 0.00 -1.22 -4.70 105.19 103.91 1hl4 n GLY 85 Ca 0.35 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 0.39 0.27 1.61 0.01 -1.26 -1.18 114.94 110.77 1hl4 s ASN 86 Ca 0.00 -0.64 0.10 0.00 -0.71 0.00 0.00 52.86 51.60 1hl4 s ASN 86 Cb 0.00 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.73 1hl4 s ASN 86 CO 0.00 -0.37 -0.00 0.68 -1.51 0.00 0.00 177.10 175.90 1hl4 s VAL 87 N -2.11 3.46 -0.27 1.60 -7.23 -0.14 -4.88 120.40 110.84 1hl4 s VAL 87 Ca -0.09 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1hl4 s VAL 87 Cb -0.05 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 34.08 1hl4 s VAL 87 CO -0.03 -0.37 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.44 1hl4 s THR 88 N -2.32 2.76 -0.01 5.32 2.01 -1.26 -2.00 115.64 120.14 1hl4 s THR 88 Ca 0.31 -1.27 -0.24 0.00 0.31 0.00 0.00 61.69 60.80 1hl4 s THR 88 Cb -0.06 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1hl4 s THR 88 CO 0.20 0.05 0.73 0.00 -0.69 0.00 0.00 174.62 174.92 1hl4 s ALA 89 N 1.26 3.35 1.04 7.40 0.00 -0.23 -4.00 121.76 130.58 1hl4 s ALA 89 Ca -0.03 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 1hl4 s ALA 89 Cb -0.18 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.06 1hl4 s ALA 89 CO -0.04 -0.02 0.46 -0.40 0.00 0.00 0.00 175.76 175.77 1hl4 n ASP 90 N 3.30 -0.64 0.29 0.00 5.68 0.00 -0.73 116.55 124.46 1hl4 n ASP 90 Ca -0.02 -0.98 0.16 0.00 -0.50 0.00 0.00 54.79 53.45 1hl4 n ASP 90 Cb 0.51 -0.38 0.91 0.00 -1.14 0.00 0.00 41.12 41.01 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 -0.48 0.11 2.10 -1.97 -1.95 116.57 114.39 1hl4 h LYS 91 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1hl4 h LYS 91 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1hl4 h LYS 91 CO 0.11 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 1hl4 n ASP 92 N -3.68 2.88 0.00 7.07 8.00 -1.26 -4.81 116.55 124.75 1hl4 n ASP 92 Ca -0.03 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1hl4 n ASP 92 Cb 0.12 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 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 1.37 0.55 3.65 0.44 0.00 -0.73 -4.72 105.19 105.75 1hl4 n GLY 93 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.06 5.35 -0.24 1.61 1.01 -1.26 -2.22 120.40 122.58 1hl4 s VAL 94 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1hl4 s VAL 94 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1hl4 s VAL 94 CO 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 175.10 175.38 1hl4 s ALA 95 N 1.12 2.72 -0.15 5.51 0.00 0.12 -0.82 121.76 130.26 1hl4 s ALA 95 Ca 0.08 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.41 1hl4 s ALA 95 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 1hl4 s ALA 95 CO 0.05 -0.70 0.80 0.34 0.00 0.00 0.00 175.76 176.25 1hl4 s ASP 96 N 1.37 6.95 -0.19 0.00 2.15 -1.26 -1.67 116.67 124.03 1hl4 s ASP 96 Ca 0.02 1.17 -0.07 0.00 0.43 0.00 0.00 52.55 54.10 1hl4 s ASP 96 Cb -0.16 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1hl4 s ASP 96 CO -0.04 -0.34 0.05 -0.69 -0.17 0.00 0.00 175.17 173.98 1hl4 s VAL 97 N 1.89 4.59 -0.30 1.11 1.01 0.76 -4.67 120.40 124.80 1hl4 s VAL 97 Ca 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1hl4 s VAL 97 Cb -0.17 -3.08 0.15 0.00 0.00 0.00 0.00 36.38 33.28 1hl4 s VAL 97 CO 0.14 0.44 0.34 -0.55 0.00 0.00 0.00 175.10 175.46 1hl4 s SER 98 N 0.63 1.25 0.04 3.32 0.15 -1.26 -1.88 113.70 115.96 1hl4 s SER 98 Ca 0.03 -0.76 0.05 0.00 0.70 0.00 0.00 55.95 55.97 1hl4 s SER 98 Cb -0.13 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1hl4 s SER 98 CO 0.02 -0.36 -0.15 -0.63 1.20 0.00 0.00 173.24 173.31 1hl4 s ILE 99 N 2.29 1.21 -0.11 6.45 1.01 -0.09 -5.02 121.20 126.95 1hl4 s ILE 99 Ca 0.10 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1hl4 s ILE 99 Cb -0.14 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1hl4 s ILE 99 CO -0.29 0.02 -0.10 -0.70 0.00 0.00 0.00 174.94 173.87 1hl4 s GLU 100 N -1.19 1.73 -0.01 2.79 2.12 -1.26 0.39 118.70 123.27 1hl4 s GLU 100 Ca 0.02 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.04 1hl4 s GLU 100 Cb -0.08 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.66 1hl4 s GLU 100 CO 0.01 -0.17 -0.14 0.34 -0.54 0.00 0.00 175.26 174.76 1hl4 s ASP 101 N 1.35 1.69 0.00 -1.70 2.15 -0.57 -4.98 116.67 114.61 1hl4 s ASP 101 Ca -0.01 -0.28 0.09 0.00 0.43 0.00 0.00 52.55 52.78 1hl4 s ASP 101 Cb -0.14 -0.18 0.17 0.00 -0.30 0.00 0.00 42.92 42.47 1hl4 s ASP 101 CO -0.05 0.16 1.01 -1.20 -0.17 0.00 0.00 175.17 174.93 1hl4 n SER 102 N 2.65 2.30 -0.13 -0.34 7.64 -1.26 -0.11 113.62 124.37 1hl4 n SER 102 Ca -0.15 -1.71 -0.27 0.00 1.01 0.00 0.00 58.87 57.76 1hl4 n SER 102 Cb 0.55 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.44 1.53 -1.64 0.44 0.31 -1.26 -4.93 118.33 113.22 1hl4 n VAL 103 Ca 0.08 -0.41 -0.34 0.00 -0.01 0.00 0.00 64.34 63.65 1hl4 n VAL 103 Cb 0.32 -1.79 0.07 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.50 2.58 0.05 2.52 -4.36 -1.26 -4.87 121.20 113.35 1hl4 s ILE 104 Ca -0.37 0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 1hl4 s ILE 104 Cb 0.13 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1hl4 s ILE 104 CO 0.53 -0.14 -0.04 -0.55 0.24 0.00 0.00 174.94 174.97 1hl4 s SER 105 N -2.05 0.58 0.00 4.36 0.15 -0.97 -4.59 113.70 111.18 1hl4 s SER 105 Ca 0.73 -0.79 0.20 0.00 0.70 0.00 0.00 55.95 56.79 1hl4 s SER 105 Cb -0.28 0.13 0.59 0.00 -1.71 0.00 0.00 66.02 64.75 1hl4 s SER 105 CO 0.42 -0.43 1.46 0.18 1.20 0.00 0.00 173.24 176.07 1hl4 n LEU 106 N 0.72 2.24 -3.85 3.45 4.77 -1.26 -0.93 117.00 122.14 1hl4 n LEU 106 Ca -0.18 -0.99 -0.08 0.00 -0.03 0.00 0.00 56.01 54.73 1hl4 n LEU 106 Cb 0.58 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1hl4 n LEU 106 CO 0.25 0.49 0.38 -0.94 -1.33 0.00 0.00 177.39 176.24 1hl4 s SER 107 N -1.42 -0.24 0.47 -1.43 1.04 -1.26 -4.31 113.70 106.55 1hl4 s SER 107 Ca 0.33 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1hl4 s SER 107 Cb 0.18 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1hl4 s SER 107 CO 0.26 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1hl4 n GLY 108 N -0.42 -0.11 0.28 7.32 0.00 -1.26 -3.54 105.19 107.45 1hl4 n GLY 108 Ca -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 1hl4 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl4 h ASP 109 N 3.14 0.70 -0.19 1.61 3.32 -2.01 -2.86 116.42 120.12 1hl4 h ASP 109 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1hl4 h ASP 109 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1hl4 h ASP 109 CO 0.00 0.81 0.00 1.41 -1.72 0.00 0.00 179.24 179.74 1hl4 n HIS 110 N -4.19 0.37 -1.76 4.55 8.25 -1.26 -4.93 115.22 116.24 1hl4 n HIS 110 Ca 0.02 -0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 1hl4 n HIS 110 Cb 0.33 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 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 4.73 0.00 -1.84 0.00 -5.35 -0.11 -4.88 119.36 111.91 1hl4 n ILE 112 Ca 0.17 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.76 1hl4 n ILE 112 Cb 0.39 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.63 1hl4 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1hl4 s ILE 113 N -1.66 2.59 0.00 7.28 -1.09 -1.26 -1.43 121.20 125.63 1hl4 s ILE 113 Ca 0.21 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 1hl4 s ILE 113 Cb 0.16 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1hl4 s ILE 113 CO 0.27 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1hl4 n GLY 114 N 3.97 0.74 2.02 6.18 0.00 0.14 -4.98 105.19 113.27 1hl4 n GLY 114 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.04 0.94 -4.68 1.61 1.74 -0.51 -2.48 116.66 111.24 1hl4 n ARG 115 Ca 0.00 -1.73 -0.33 0.00 -0.77 0.00 0.00 57.85 55.02 1hl4 n ARG 115 Cb 0.00 0.05 -0.14 0.00 -1.02 0.00 0.00 32.46 31.34 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 -1.18 3.04 -0.07 0.55 2.01 -1.13 0.22 115.64 119.08 1hl4 s THR 116 Ca 0.24 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 1hl4 s THR 116 Cb -0.02 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1hl4 s THR 116 CO 0.15 0.52 0.53 -0.22 -0.69 0.00 0.00 174.62 174.91 1hl4 s LEU 117 N 0.48 4.34 -0.06 4.42 2.96 -0.59 0.27 118.68 130.49 1hl4 s LEU 117 Ca -0.09 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1hl4 s LEU 117 Cb -0.16 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.75 1hl4 s LEU 117 CO 0.04 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.34 1hl4 s VAL 118 N 0.28 0.87 -0.24 1.68 1.01 -0.07 -2.41 120.40 121.53 1hl4 s VAL 118 Ca 0.29 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 1hl4 s VAL 118 Cb -0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1hl4 s VAL 118 CO 0.14 0.30 0.33 0.54 0.00 0.00 0.00 175.10 176.41 1hl4 s VAL 119 N 0.87 5.23 0.48 2.92 0.11 -0.71 -1.91 120.40 127.38 1hl4 s VAL 119 Ca -0.11 0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1hl4 s VAL 119 Cb -0.15 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.01 1hl4 s VAL 119 CO 0.01 0.24 0.77 -1.00 -3.33 0.00 0.00 175.10 171.78 1hl4 s HIS 120 N 1.55 3.45 0.20 1.54 3.76 0.82 -0.99 115.29 125.63 1hl4 s HIS 120 Ca 0.15 0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 55.60 1hl4 s HIS 120 Cb -0.15 -2.34 0.27 0.00 1.11 0.00 0.00 32.58 31.47 1hl4 s HIS 120 CO 0.08 -0.35 1.73 1.49 -0.85 0.00 0.00 174.74 176.84 1hl4 h GLU 121 N 0.23 0.33 -5.07 1.40 4.81 -0.14 -3.37 114.58 112.76 1hl4 h GLU 121 Ca -0.47 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.11 1hl4 h GLU 121 Cb 1.22 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 1hl4 h GLU 121 CO 0.61 0.22 -0.50 0.15 -0.73 0.00 0.00 179.01 178.76 1hl4 s LYS 122 N -6.10 2.09 0.25 1.92 1.02 0.12 -4.91 119.74 114.13 1hl4 s LYS 122 Ca -0.13 -2.32 -0.30 0.00 0.02 0.00 0.00 55.97 53.23 1hl4 s LYS 122 Cb 0.17 -0.99 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1hl4 s LYS 122 CO 0.74 -0.47 1.54 0.00 -0.92 0.00 0.00 175.35 176.24 1hl4 s ALA 123 N -3.05 3.72 -0.28 5.17 0.00 -0.96 -0.95 121.76 125.41 1hl4 s ALA 123 Ca 0.13 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 1hl4 s ALA 123 Cb 0.01 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1hl4 s ALA 123 CO 0.09 -0.85 1.33 0.34 0.00 0.00 0.00 175.76 176.66 1hl4 s ASP 124 N 0.61 6.67 0.00 0.00 2.15 -1.26 -4.03 116.67 120.82 1hl4 s ASP 124 Ca 0.64 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.92 1hl4 s ASP 124 Cb -0.45 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.63 1hl4 s ASP 124 CO 0.42 -1.06 0.72 -0.90 -0.17 0.00 0.00 175.17 174.18 1hl4 n ASP 125 N 7.59 0.08 -2.09 -0.34 5.68 0.12 -4.88 116.55 122.72 1hl4 n ASP 125 Ca 0.15 -1.53 -0.16 0.00 -0.50 0.00 0.00 54.79 52.75 1hl4 n ASP 125 Cb 0.46 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 1hl4 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1hl4 n LEU 126 N -0.43 -1.38 0.00 -2.12 4.77 -1.26 -1.08 117.00 115.49 1hl4 n LEU 126 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1hl4 n LEU 126 Cb 0.02 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 1hl4 n LEU 126 CO 0.00 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1hl4 n GLY 127 N -0.69 0.92 1.20 -0.72 0.00 -1.24 -3.31 105.19 101.36 1hl4 n GLY 127 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1hl4 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hl4 n LYS 128 N -2.02 1.98 0.00 1.61 4.76 -0.24 -4.56 118.16 119.69 1hl4 n LYS 128 Ca 0.00 -3.31 0.14 0.00 -2.87 0.00 0.00 58.31 52.26 1hl4 n LYS 128 Cb 0.00 -1.85 0.55 0.00 -1.84 0.00 0.00 35.03 31.89 1hl4 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hl4 n GLY 129 N -1.08 -1.29 2.05 0.72 0.00 -1.25 -4.95 105.19 99.39 1hl4 n GLY 129 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1hl4 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hl4 n GLY 130 N 1.43 0.30 3.60 -0.02 0.00 -1.26 -4.99 105.19 104.24 1hl4 n GLY 130 Ca 0.09 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1hl4 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl4 s ASN 131 N -2.90 0.16 0.21 1.61 2.20 -1.26 -5.05 114.94 109.91 1hl4 s ASN 131 Ca 0.00 -1.08 -0.10 0.00 -0.94 0.00 0.00 52.86 50.74 1hl4 s ASN 131 Cb 0.00 0.64 0.19 0.00 -2.00 0.00 0.00 41.25 40.08 1hl4 s ASN 131 CO 0.00 -1.25 1.86 -0.08 -2.94 0.00 0.00 177.10 174.69 1hl4 h GLU 132 N 2.18 0.90 -0.06 3.55 4.81 -2.00 -2.13 114.58 121.84 1hl4 h GLU 132 Ca -0.27 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1hl4 h GLU 132 Cb 1.25 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1hl4 h GLU 132 CO 0.36 0.60 -0.10 1.49 -0.73 0.00 0.00 179.01 180.63 1hl4 h GLU 133 N 0.93 0.09 -0.81 1.92 4.57 -2.00 -2.31 114.58 116.97 1hl4 h GLU 133 Ca 0.29 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1hl4 h GLU 133 Cb -0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1hl4 h GLU 133 CO -0.10 0.20 0.53 1.03 -1.18 0.00 0.00 179.01 179.50 1hl4 h SER 134 N 0.09 0.92 0.00 1.04 0.87 -1.73 -0.25 113.55 114.49 1hl4 h SER 134 Ca 0.02 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hl4 h SER 134 Cb 0.25 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1hl4 h SER 134 CO 0.01 0.67 0.00 0.35 -0.53 0.00 0.00 176.83 177.33 1hl4 n THR 135 N -4.53 0.00 0.03 2.23 -2.24 -0.87 -2.12 114.28 106.78 1hl4 n THR 135 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1hl4 n THR 135 Cb 0.02 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1hl4 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hl4 n LYS 136 N -0.52 0.00 0.00 -0.78 5.02 -0.62 -2.42 118.16 118.85 1hl4 n LYS 136 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1hl4 n LYS 136 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 1hl4 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hl4 n THR 137 N -3.10 0.00 -1.43 -0.18 -2.24 -0.20 -4.71 114.28 102.42 1hl4 n THR 137 Ca 0.00 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1hl4 n THR 137 Cb 0.23 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 1hl4 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hl4 n GLY 138 N 0.48 1.15 3.84 3.38 0.00 -0.90 -3.12 105.19 110.03 1hl4 n GLY 138 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1hl4 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hl4 n ASN 139 N 0.05 -4.86 -0.04 1.61 3.02 -1.25 0.12 115.26 113.91 1hl4 n ASN 139 Ca -0.12 -0.73 0.14 0.00 -0.03 0.00 0.00 54.58 53.84 1hl4 n ASN 139 Cb 0.41 -3.88 0.61 0.00 -0.61 0.00 0.00 39.78 36.31 1hl4 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hl4 n ALA 140 N -4.58 2.68 -0.26 5.41 0.00 -1.18 -4.68 120.51 117.91 1hl4 n ALA 140 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1hl4 n ALA 140 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1hl4 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 141 N 1.36 -0.20 3.67 0.00 0.00 -1.26 0.15 105.19 108.91 1hl4 n GLY 141 Ca 0.11 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1hl4 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hl4 s SER 142 N -4.00 2.77 -0.45 1.61 1.04 -1.26 -4.51 113.70 108.89 1hl4 s SER 142 Ca 0.00 1.40 -0.21 0.00 0.48 0.00 0.00 55.95 57.62 1hl4 s SER 142 Cb 0.00 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.07 1hl4 s SER 142 CO 0.00 -3.07 0.66 -0.13 0.98 0.00 0.00 173.24 171.67 1hl4 s ARG 143 N -4.87 3.26 -0.01 4.02 0.52 -1.26 -0.01 118.95 120.60 1hl4 s ARG 143 Ca 0.65 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 55.21 1hl4 s ARG 143 Cb -0.19 -3.98 -0.22 0.00 0.52 0.00 0.00 34.95 31.08 1hl4 s ARG 143 CO 0.58 -1.06 1.12 -0.07 0.02 0.00 0.00 175.30 175.89 1hl4 h LEU 144 N 9.76 0.41 -7.47 2.53 3.38 -1.35 -3.47 115.31 119.10 1hl4 h LEU 144 Ca -0.26 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 56.91 1hl4 h LEU 144 Cb 1.09 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 1hl4 h LEU 144 CO 0.91 1.07 -0.18 0.00 0.09 0.00 0.00 178.44 180.33 1hl4 s ALA 145 N -3.36 -0.84 0.21 1.53 0.00 -1.20 -4.10 121.76 114.01 1hl4 s ALA 145 Ca -0.14 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1hl4 s ALA 145 Cb 0.03 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1hl4 s ALA 145 CO 0.78 -0.43 0.55 0.00 0.00 0.00 0.00 175.76 176.67 1hl4 s GLY 147 N -2.89 -0.39 0.18 0.00 0.00 -1.01 -1.66 107.32 101.54 1hl4 s GLY 147 Ca 0.11 1.86 -0.30 0.00 0.00 0.00 0.00 44.72 46.38 1hl4 s GLY 147 CO -0.00 1.18 1.10 0.14 0.00 0.00 0.00 173.10 175.52 1hl4 s VAL 148 N -0.81 3.86 -0.22 1.40 1.01 -1.26 -1.55 120.40 122.83 1hl4 s VAL 148 Ca -0.04 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1hl4 s VAL 148 Cb -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1hl4 s VAL 148 CO 0.04 0.27 1.15 -0.63 0.00 0.00 0.00 175.10 175.93 1hl4 s ILE 149 N -0.22 4.46 0.16 2.22 1.01 0.13 -4.52 121.20 124.45 1hl4 s ILE 149 Ca 0.49 1.75 0.10 0.00 0.00 0.00 0.00 60.65 63.00 1hl4 s ILE 149 Cb -0.29 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1hl4 s ILE 149 CO 0.35 -0.22 -0.20 -0.83 0.00 0.00 0.00 174.94 174.04 1hl4 s GLY 150 N 1.69 1.69 0.13 6.18 0.00 -0.13 0.26 107.32 117.14 1hl4 s GLY 150 Ca 0.49 -1.52 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 1hl4 s GLY 150 CO 0.12 -1.52 1.76 -0.42 0.00 0.00 0.00 173.10 173.03 1hl4 s ILE 151 N -1.47 2.57 0.23 0.90 1.01 -1.26 -1.02 121.20 122.15 1hl4 s ILE 151 Ca 0.20 0.17 0.10 0.00 0.00 0.00 0.00 60.65 61.11 1hl4 s ILE 151 Cb -0.09 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1hl4 s ILE 151 CO 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 174.94 174.98 1hl4 s ALA 152 N 2.36 3.02 -2.00 9.38 0.00 -0.15 -4.79 121.76 129.57 1hl4 s ALA 152 Ca 0.78 -1.60 0.18 0.00 0.00 0.00 0.00 51.96 51.32 1hl4 s ALA 152 Cb -0.45 -0.70 1.08 0.00 0.00 0.00 0.00 23.12 23.05 1hl4 s ALA 152 CO 0.34 0.36 1.48 0.94 0.00 0.00 0.00 175.76 178.88