#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl6 n ASP 5 N 0.00 0.58 -4.09 -1.84 5.75 -1.26 -5.04 116.55 110.65 1hl6 n ASP 5 Ca 0.00 -1.96 -0.20 0.00 -0.01 0.00 0.00 54.79 52.62 1hl6 n ASP 5 Cb 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 1hl6 n ASP 5 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1hl6 s PHE 6 N -0.60 1.08 -0.08 2.11 5.36 -1.26 -2.83 117.98 121.76 1hl6 s PHE 6 Ca 0.06 -0.27 -0.07 0.00 -0.96 0.00 0.00 56.93 55.69 1hl6 s PHE 6 Cb 0.05 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1hl6 s PHE 6 CO 0.01 -0.00 0.21 -0.47 -1.46 0.00 0.00 175.22 173.51 1hl6 s TYR 7 N -0.55 -0.24 -0.06 10.12 5.04 -0.80 -3.61 117.35 127.26 1hl6 s TYR 7 Ca 0.03 0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 55.22 1hl6 s TYR 7 Cb -0.06 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.35 1hl6 s TYR 7 CO 0.00 -0.13 0.13 -1.17 -1.34 0.00 0.00 175.55 173.04 1hl6 s LEU 8 N 0.27 1.01 -0.10 6.97 2.96 -1.08 -1.05 118.68 127.67 1hl6 s LEU 8 Ca -0.01 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1hl6 s LEU 8 Cb -0.03 0.35 0.04 0.00 0.50 0.00 0.00 46.19 47.05 1hl6 s LEU 8 CO -0.01 -0.11 0.22 -0.60 -1.32 0.00 0.00 176.35 174.53 1hl6 s ARG 9 N 0.81 0.19 -0.03 1.98 3.52 0.58 -0.61 118.95 125.39 1hl6 s ARG 9 Ca -0.06 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1hl6 s ARG 9 Cb -0.08 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.21 1hl6 s ARG 9 CO -0.04 -0.15 -0.05 -0.47 -0.81 0.00 0.00 175.30 173.78 1hl6 s TYR 10 N 1.16 0.68 0.00 5.12 5.04 -0.66 -0.54 117.35 128.16 1hl6 s TYR 10 Ca -0.09 -0.17 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 1hl6 s TYR 10 Cb -0.10 -0.57 -0.01 0.00 0.35 0.00 0.00 41.96 41.63 1hl6 s TYR 10 CO -0.07 -0.14 -0.04 -0.47 -1.34 0.00 0.00 175.55 173.49 1hl6 s TYR 11 N 0.62 0.33 -0.19 4.97 5.04 -0.35 -1.88 117.35 125.90 1hl6 s TYR 11 Ca -0.08 -0.13 -0.08 0.00 -2.44 0.00 0.00 57.07 54.33 1hl6 s TYR 11 Cb -0.11 -0.21 0.08 0.00 0.35 0.00 0.00 41.96 42.06 1hl6 s TYR 11 CO 0.00 -0.03 0.43 0.54 -1.34 0.00 0.00 175.55 175.15 1hl6 s VAL 12 N -0.30 -0.38 -1.51 3.14 0.11 -0.86 0.38 120.40 120.98 1hl6 s VAL 12 Ca -0.01 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1hl6 s VAL 12 Cb -0.03 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1hl6 s VAL 12 CO -0.00 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1hl6 n GLY 13 N 4.90 -1.36 2.97 6.54 0.00 -0.56 -1.27 105.19 116.41 1hl6 n GLY 13 Ca -0.15 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1hl6 n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hl6 s HIS 14 N -2.79 -0.24 -0.09 1.61 2.46 0.23 -1.70 115.29 114.77 1hl6 s HIS 14 Ca 0.00 0.63 -0.03 0.00 0.47 0.00 0.00 55.06 56.13 1hl6 s HIS 14 Cb 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.38 1hl6 s HIS 14 CO 0.00 -0.21 0.02 0.15 -2.47 0.00 0.00 174.74 172.23 1hl6 s LYS 15 N 1.31 3.08 0.00 2.88 1.02 -1.26 -0.87 119.74 125.90 1hl6 s LYS 15 Ca -0.08 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1hl6 s LYS 15 Cb -0.11 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1hl6 s LYS 15 CO -0.07 0.69 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 1hl6 n GLY 16 N 2.19 1.70 0.25 -3.33 0.00 0.64 -5.01 105.19 101.62 1hl6 n GLY 16 Ca -0.19 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1hl6 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hl6 h LYS 17 N 0.00 0.00 -0.50 1.61 1.79 -2.02 -1.35 116.57 116.10 1hl6 h LYS 17 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hl6 h LYS 17 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1hl6 h LYS 17 CO 0.00 0.11 0.00 1.19 -1.08 0.00 0.00 179.45 179.67 1hl6 n PHE 18 N -4.18 0.57 0.00 -1.35 3.01 -1.26 -5.02 117.46 109.23 1hl6 n PHE 18 Ca -0.03 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.20 1hl6 n PHE 18 Cb 0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1hl6 n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hl6 n GLY 19 N 0.71 0.26 2.86 1.37 0.00 -0.51 -4.94 105.19 104.94 1hl6 n GLY 19 Ca 0.10 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1hl6 n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hl6 s HIS 20 N 0.00 2.16 -0.27 1.61 2.46 -1.26 -0.26 115.29 119.74 1hl6 s HIS 20 Ca 0.00 -1.76 -0.11 0.00 0.47 0.00 0.00 55.06 53.66 1hl6 s HIS 20 Cb 0.00 -1.69 -0.05 0.00 -0.13 0.00 0.00 32.58 30.71 1hl6 s HIS 20 CO 0.00 -0.79 0.20 -2.00 -2.47 0.00 0.00 174.74 169.67 1hl6 s GLU 21 N 1.47 4.00 0.06 2.88 2.56 -0.05 -4.72 118.70 124.90 1hl6 s GLU 21 Ca 0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 54.97 54.43 1hl6 s GLU 21 Cb -0.18 -3.62 0.10 0.00 2.00 0.00 0.00 34.13 32.42 1hl6 s GLU 21 CO -0.11 -0.11 1.16 -0.59 -0.56 0.00 0.00 175.26 175.04 1hl6 s PHE 22 N 1.56 -0.05 0.00 5.30 -0.12 -0.84 0.76 117.98 124.59 1hl6 s PHE 22 Ca 0.08 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1hl6 s PHE 22 Cb -0.15 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 1hl6 s PHE 22 CO 0.09 -0.52 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.53 1hl6 s LEU 23 N -3.08 2.04 -0.28 -1.99 2.96 -0.40 0.14 118.68 118.08 1hl6 s LEU 23 Ca 0.15 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 1hl6 s LEU 23 Cb 0.02 -0.17 0.09 0.00 0.50 0.00 0.00 46.19 46.63 1hl6 s LEU 23 CO -0.01 0.01 0.78 -0.70 -1.32 0.00 0.00 176.35 175.11 1hl6 s GLU 24 N -0.27 0.69 0.05 1.98 2.12 0.36 -2.04 118.70 121.58 1hl6 s GLU 24 Ca -0.00 0.99 0.05 0.00 0.36 0.00 0.00 54.97 56.36 1hl6 s GLU 24 Cb -0.02 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1hl6 s GLU 24 CO -0.00 -0.11 -0.13 -0.59 -0.54 0.00 0.00 175.26 173.89 1hl6 s PHE 25 N 0.96 1.13 -0.03 5.30 -0.12 -0.79 -0.21 117.98 124.22 1hl6 s PHE 25 Ca -0.04 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1hl6 s PHE 25 Cb -0.05 -0.66 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1hl6 s PHE 25 CO -0.10 0.03 -0.01 -2.00 -0.05 0.00 0.00 175.22 173.09 1hl6 s GLU 26 N -1.32 0.38 -0.44 1.99 2.12 -0.13 -1.65 118.70 119.65 1hl6 s GLU 26 Ca -0.01 0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.28 1hl6 s GLU 26 Cb -0.08 -0.53 0.10 0.00 0.26 0.00 0.00 34.13 33.88 1hl6 s GLU 26 CO 0.01 -0.12 0.29 -0.06 -0.54 0.00 0.00 175.26 174.84 1hl6 s PHE 27 N 0.97 3.41 0.78 5.30 0.40 0.22 -0.86 117.98 128.20 1hl6 s PHE 27 Ca -0.10 -1.81 -0.11 0.00 -0.60 0.00 0.00 56.93 54.31 1hl6 s PHE 27 Cb -0.14 -3.23 0.06 0.00 0.51 0.00 0.00 43.02 40.22 1hl6 s PHE 27 CO -0.01 -0.93 1.09 1.03 0.70 0.00 0.00 175.22 177.09 1hl6 s ARG 28 N 1.36 2.22 0.41 0.44 0.52 -0.19 -2.63 118.95 121.07 1hl6 s ARG 28 Ca 0.05 0.72 0.14 0.00 -0.52 0.00 0.00 55.73 56.11 1hl6 s ARG 28 Cb -0.24 -1.93 0.99 0.00 0.52 0.00 0.00 34.95 34.29 1hl6 s ARG 28 CO -0.00 -1.55 1.90 -1.35 0.02 0.00 0.00 175.30 174.33 1hl6 h PRO 29 N -1.04 0.48 -0.04 3.54 0.11 -1.89 -1.38 132.00 131.78 1hl6 h PRO 29 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hl6 h PRO 29 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hl6 h PRO 29 CO 0.58 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1hl6 n ASP 30 N -4.50 0.47 0.00 -2.05 5.68 -1.26 -2.71 116.55 112.18 1hl6 n ASP 30 Ca 0.15 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1hl6 n ASP 30 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1hl6 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hl6 n GLY 31 N 0.90 0.80 3.70 6.12 0.00 -0.52 -4.92 105.19 111.27 1hl6 n GLY 31 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1hl6 n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hl6 s LYS 32 N -0.74 4.46 -0.22 1.61 2.20 -1.25 -1.00 119.74 124.80 1hl6 s LYS 32 Ca 0.00 1.27 -0.09 0.00 -0.36 0.00 0.00 55.97 56.79 1hl6 s LYS 32 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1hl6 s LYS 32 CO 0.00 -0.15 0.11 -1.17 -0.36 0.00 0.00 175.35 173.78 1hl6 s LEU 33 N 1.44 3.89 -0.15 5.43 2.96 0.19 -1.02 118.68 131.40 1hl6 s LEU 33 Ca 0.47 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1hl6 s LEU 33 Cb -0.19 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1hl6 s LEU 33 CO 0.21 0.09 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.08 1hl6 s ARG 34 N 0.87 3.32 -0.13 1.98 0.52 -0.04 -2.02 118.95 123.45 1hl6 s ARG 34 Ca 0.05 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1hl6 s ARG 34 Cb -0.13 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1hl6 s ARG 34 CO 0.03 0.08 -0.20 -0.47 0.02 0.00 0.00 175.30 174.75 1hl6 s TYR 35 N 0.69 2.48 -0.02 -0.53 5.04 0.04 -0.95 117.35 124.10 1hl6 s TYR 35 Ca -0.06 -1.22 0.02 0.00 -2.44 0.00 0.00 57.07 53.37 1hl6 s TYR 35 Cb -0.15 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.45 1hl6 s TYR 35 CO 0.02 -0.56 -0.08 0.00 -1.34 0.00 0.00 175.55 173.59 1hl6 s ALA 36 N 0.81 0.76 -0.14 3.97 0.00 0.70 -1.20 121.76 126.68 1hl6 s ALA 36 Ca -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1hl6 s ALA 36 Cb -0.16 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.74 1hl6 s ALA 36 CO -0.01 0.12 0.23 1.21 0.00 0.00 0.00 175.76 177.31 1hl6 s ASN 37 N 0.22 0.68 -0.26 0.00 3.04 -0.21 -0.49 114.94 117.91 1hl6 s ASN 37 Ca -0.03 0.34 -0.07 0.00 0.04 0.00 0.00 52.86 53.14 1hl6 s ASN 37 Cb -0.08 0.53 -0.01 0.00 -1.54 0.00 0.00 41.25 40.15 1hl6 s ASN 37 CO 0.00 -0.26 0.06 0.20 -3.04 0.00 0.00 177.10 174.06 1hl6 s ASN 38 N 2.37 5.04 0.00 -4.21 -0.87 0.12 -0.88 114.94 116.52 1hl6 s ASN 38 Ca 0.03 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 50.93 1hl6 s ASN 38 Cb -0.13 -1.89 0.00 0.00 -0.02 0.00 0.00 41.25 39.21 1hl6 s ASN 38 CO -0.09 -0.09 0.00 -0.24 -2.57 0.00 0.00 177.10 174.12 1hl6 n SER 39 N 4.90 0.00 0.00 -1.22 2.88 -1.26 -1.98 113.62 116.94 1hl6 n SER 39 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1hl6 n SER 39 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1hl6 n SER 39 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hl6 n ASN 40 N 0.00 0.00 -0.70 -3.46 2.85 -1.26 -4.56 115.26 108.13 1hl6 n ASN 40 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1hl6 n ASN 40 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1hl6 n ASN 40 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1hl6 n THR 45 N 0.00 -3.34 -3.67 -0.44 -1.04 -1.26 -5.11 114.28 99.43 1hl6 n THR 45 Ca 0.00 0.39 -0.09 0.00 -2.04 0.00 0.00 64.05 62.31 1hl6 n THR 45 Cb 0.00 -2.46 -0.09 0.00 -1.82 0.00 0.00 70.33 65.97 1hl6 n THR 45 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1hl6 s MET 46 N -2.69 0.57 -0.08 -2.82 1.75 -1.26 -4.71 119.30 110.07 1hl6 s MET 46 Ca 0.00 1.01 0.04 0.00 -1.25 0.00 0.00 55.69 55.49 1hl6 s MET 46 Cb 0.00 0.09 -0.00 0.00 2.84 0.00 0.00 34.83 37.76 1hl6 s MET 46 CO 0.00 -0.15 -0.22 0.42 -0.65 0.00 0.00 175.02 174.42 1hl6 s ILE 47 N 1.42 1.88 -0.08 10.11 1.01 -0.06 -4.99 121.20 130.49 1hl6 s ILE 47 Ca -0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1hl6 s ILE 47 Cb -0.06 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1hl6 s ILE 47 CO -0.15 0.52 0.02 -0.13 0.00 0.00 0.00 174.94 175.20 1hl6 s ARG 48 N 0.21 0.46 0.01 2.79 1.81 -1.26 -1.05 118.95 121.92 1hl6 s ARG 48 Ca -0.13 0.11 -0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1hl6 s ARG 48 Cb -0.16 -1.02 -0.01 0.00 -0.45 0.00 0.00 34.95 33.32 1hl6 s ARG 48 CO 0.06 -0.35 -0.01 0.15 -0.68 0.00 0.00 175.30 174.47 1hl6 s LYS 49 N 2.01 0.13 0.04 3.54 -0.14 -0.34 -5.02 119.74 119.97 1hl6 s LYS 49 Ca 0.04 -0.26 0.04 0.00 -1.36 0.00 0.00 55.97 54.44 1hl6 s LYS 49 Cb -0.13 0.05 -0.02 0.00 -1.68 0.00 0.00 37.83 36.05 1hl6 s LYS 49 CO -0.05 -0.02 -0.11 -1.21 -0.76 0.00 0.00 175.35 173.20 1hl6 s GLU 50 N -0.62 0.71 -0.10 1.68 2.02 -1.26 -0.78 118.70 120.36 1hl6 s GLU 50 Ca -0.07 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 1hl6 s GLU 50 Cb -0.04 -0.63 0.12 0.00 0.10 0.00 0.00 34.13 33.68 1hl6 s GLU 50 CO -0.00 0.14 1.00 0.00 0.02 0.00 0.00 175.26 176.42 1hl6 s ALA 51 N -1.06 -1.92 -0.17 5.21 0.00 -0.86 -5.00 121.76 117.96 1hl6 s ALA 51 Ca -0.03 1.34 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1hl6 s ALA 51 Cb -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1hl6 s ALA 51 CO 0.01 -0.53 0.07 -0.06 0.00 0.00 0.00 175.76 175.25 1hl6 s PHE 52 N -2.26 3.29 0.13 0.00 0.40 -1.26 0.52 117.98 118.80 1hl6 s PHE 52 Ca 0.04 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.53 1hl6 s PHE 52 Cb -0.01 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 1hl6 s PHE 52 CO -0.05 0.24 0.22 0.14 0.70 0.00 0.00 175.22 176.47 1hl6 s VAL 53 N 0.16 5.09 0.72 -0.44 -7.23 -0.17 -4.96 120.40 113.57 1hl6 s VAL 53 Ca 0.05 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.37 1hl6 s VAL 53 Cb -0.12 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.28 1hl6 s VAL 53 CO 0.00 -0.02 1.13 -2.28 -0.31 0.00 0.00 175.10 173.62 1hl6 s HIS 54 N -1.66 2.39 0.50 2.82 2.46 -1.26 -4.81 115.29 115.73 1hl6 s HIS 54 Ca 0.33 1.58 0.25 0.00 0.47 0.00 0.00 55.06 57.70 1hl6 s HIS 54 Cb -0.11 -3.23 1.33 0.00 -0.13 0.00 0.00 32.58 30.44 1hl6 s HIS 54 CO 0.27 -2.02 1.93 0.37 -2.47 0.00 0.00 174.74 172.82 1hl6 h GLN 55 N -0.41 0.11 0.00 2.88 4.15 -1.97 -1.58 115.11 118.29 1hl6 h GLN 55 Ca -0.46 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 58.87 1hl6 h GLN 55 Cb 1.26 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1hl6 h GLN 55 CO 0.51 0.08 -0.37 0.66 -1.93 0.00 0.00 178.83 177.78 1hl6 h SER 56 N 0.12 0.00 -0.11 -0.69 4.64 -1.99 -0.20 113.55 115.32 1hl6 h SER 56 Ca 0.36 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.66 1hl6 h SER 56 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1hl6 h SER 56 CO -0.05 0.37 -0.03 0.58 -0.87 0.00 0.00 176.83 176.84 1hl6 h VAL 57 N 0.00 1.30 -0.45 0.95 2.07 -1.64 -0.80 116.25 117.67 1hl6 h VAL 57 Ca -0.00 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1hl6 h VAL 57 Cb 0.68 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1hl6 h VAL 57 CO 0.05 0.28 0.10 0.24 0.02 0.00 0.00 177.57 178.26 1hl6 h MET 58 N -0.11 0.23 -0.07 1.57 2.07 -1.37 -0.99 114.93 116.26 1hl6 h MET 58 Ca 0.03 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.60 1hl6 h MET 58 Cb 0.45 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 1hl6 h MET 58 CO 0.01 0.16 -0.17 0.93 1.07 0.00 0.00 176.91 178.91 1hl6 h GLU 59 N 0.24 0.11 -0.23 1.72 4.39 -0.88 -1.82 114.58 118.12 1hl6 h GLU 59 Ca 0.22 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1hl6 h GLU 59 Cb 0.28 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1hl6 h GLU 59 CO -0.28 0.29 -0.06 0.93 -1.16 0.00 0.00 179.01 178.72 1hl6 h GLU 60 N 0.11 0.45 -0.47 2.33 4.39 0.08 -1.45 114.58 120.02 1hl6 h GLU 60 Ca 0.02 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1hl6 h GLU 60 Cb 0.37 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1hl6 h GLU 60 CO 0.02 0.69 0.25 -0.07 -1.16 0.00 0.00 179.01 178.74 1hl6 h LEU 61 N 0.17 0.37 -0.76 1.33 3.38 -0.91 -0.14 115.31 118.77 1hl6 h LEU 61 Ca 0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1hl6 h LEU 61 Cb 0.53 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1hl6 h LEU 61 CO 0.02 0.26 0.46 0.50 0.09 0.00 0.00 178.44 179.78 1hl6 h LYS 62 N 0.49 0.83 -0.25 1.13 3.64 -1.23 -1.12 116.57 120.06 1hl6 h LYS 62 Ca 0.20 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1hl6 h LYS 62 Cb 0.08 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1hl6 h LYS 62 CO -0.12 0.55 0.05 -0.09 -2.27 0.00 0.00 179.45 177.57 1hl6 h ARG 63 N 0.86 0.41 -0.65 1.90 2.43 -0.40 -0.98 114.38 117.95 1hl6 h ARG 63 Ca 0.32 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1hl6 h ARG 63 Cb 0.13 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1hl6 h ARG 63 CO -0.16 0.52 0.41 0.82 -1.51 0.00 0.00 179.97 180.05 1hl6 h ILE 64 N 0.23 1.10 0.06 1.20 2.04 -0.51 0.12 117.51 121.76 1hl6 h ILE 64 Ca 0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1hl6 h ILE 64 Cb 0.30 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1hl6 h ILE 64 CO 0.00 0.15 -0.03 0.40 0.00 0.00 0.00 178.15 178.67 1hl6 h ILE 65 N 0.81 1.05 -0.74 -0.67 2.04 -1.12 -1.05 117.51 117.84 1hl6 h ILE 65 Ca 0.26 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1hl6 h ILE 65 Cb -0.01 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1hl6 h ILE 65 CO -0.09 0.10 0.44 0.40 0.00 0.00 0.00 178.15 178.99 1hl6 h ILE 66 N -0.25 1.01 0.00 -0.67 2.04 -0.85 -1.19 117.51 117.60 1hl6 h ILE 66 Ca -0.01 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 1hl6 h ILE 66 Cb 0.22 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1hl6 h ILE 66 CO 0.01 0.15 -0.32 0.44 0.00 0.00 0.00 178.15 178.43 1hl6 h ASP 67 N 0.81 0.00 1.03 1.72 5.19 -0.58 -2.52 116.42 122.07 1hl6 h ASP 67 Ca 0.32 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.63 1hl6 h ASP 67 Cb 0.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1hl6 h ASP 67 CO -0.17 0.32 -0.48 0.77 -3.12 0.00 0.00 179.24 176.56 1hl6 h SER 68 N 0.00 0.00 -1.42 6.45 4.64 -0.03 -3.47 113.55 119.72 1hl6 h SER 68 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1hl6 h SER 68 Cb 0.71 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 1hl6 h SER 68 CO 0.04 0.48 -0.34 -0.62 -0.87 0.00 0.00 176.83 175.52 1hl6 n GLU 69 N -3.44 -1.16 0.29 4.77 1.02 -0.70 -4.88 120.64 116.53 1hl6 n GLU 69 Ca 0.00 0.92 0.15 0.00 -0.02 0.00 0.00 57.16 58.21 1hl6 n GLU 69 Cb 0.62 -5.18 0.86 0.00 -0.02 0.00 0.00 31.44 27.72 1hl6 n GLU 69 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1hl6 h ILE 70 N 0.00 0.48 0.00 -3.67 6.09 -1.86 -2.48 117.51 116.07 1hl6 h ILE 70 Ca -0.34 -0.26 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1hl6 h ILE 70 Cb 1.14 1.17 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 1hl6 h ILE 70 CO 0.46 0.05 -0.02 0.24 -3.07 0.00 0.00 178.15 175.81 1hl6 h MET 71 N 0.00 0.00 -0.01 2.19 2.86 -1.90 -1.34 114.93 116.74 1hl6 h MET 71 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hl6 h MET 71 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1hl6 h MET 71 CO 0.01 0.02 -0.26 0.00 1.06 0.00 0.00 176.91 177.74 1hl6 n GLN 72 N -3.23 0.94 -1.74 1.72 0.00 -0.93 -4.91 117.38 109.22 1hl6 n GLN 72 Ca -0.02 -0.58 -0.22 0.00 0.00 0.00 0.00 57.00 56.18 1hl6 n GLN 72 Cb 0.16 -1.49 0.14 0.00 0.00 0.00 0.00 30.24 29.06 1hl6 n GLN 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1hl6 n GLU 73 N -0.53 -0.71 -3.71 2.61 -0.58 -0.51 -5.11 120.64 112.10 1hl6 n GLU 73 Ca 0.12 -1.83 -0.14 0.00 -0.42 0.00 0.00 57.16 54.89 1hl6 n GLU 73 Cb 0.36 -0.93 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 1hl6 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hl6 s ASP 74 N -4.73 -0.28 0.00 1.62 -1.08 -1.26 -5.08 116.67 105.85 1hl6 s ASP 74 Ca 0.59 0.21 0.24 0.00 -0.52 0.00 0.00 52.55 53.07 1hl6 s ASP 74 Cb -0.02 0.36 0.26 0.00 -1.46 0.00 0.00 42.92 42.06 1hl6 s ASP 74 CO 0.40 -0.48 1.29 -0.90 0.52 0.00 0.00 175.17 176.01 1hl6 n ASP 75 N 1.21 2.66 -0.34 -0.34 3.85 -1.26 -4.50 116.55 117.84 1hl6 n ASP 75 Ca -0.21 -1.86 0.03 0.00 -0.71 0.00 0.00 54.79 52.05 1hl6 n ASP 75 Cb 0.56 0.07 0.18 0.00 -1.35 0.00 0.00 41.12 40.59 1hl6 n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1hl6 h LEU 76 N 4.06 0.88 -0.52 -2.12 3.38 -1.98 -1.19 115.31 117.83 1hl6 h LEU 76 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1hl6 h LEU 76 Cb 0.90 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1hl6 h LEU 76 CO 0.00 0.52 0.00 -2.65 0.09 0.00 0.00 178.44 176.40 1hl6 n PRO 77 N -4.62 0.17 -2.26 1.13 -0.02 -1.26 -4.84 135.00 123.31 1hl6 n PRO 77 Ca 0.15 0.37 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 1hl6 n PRO 77 Cb 0.25 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1hl6 n PRO 77 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1hl6 s TRP 78 N -3.25 3.41 0.24 6.00 0.51 -0.45 -4.51 118.94 120.90 1hl6 s TRP 78 Ca 0.06 1.45 -0.31 0.00 -2.12 0.00 0.00 56.10 55.17 1hl6 s TRP 78 Cb 0.10 -2.81 -0.13 0.00 -0.81 0.00 0.00 33.47 29.82 1hl6 s TRP 78 CO 0.40 -0.52 1.51 -2.30 -0.51 0.00 0.00 176.95 175.53 1hl6 n PRO 79 N -1.83 2.27 -1.82 4.98 -0.02 -1.26 -4.95 135.00 132.36 1hl6 n PRO 79 Ca 0.07 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1hl6 n PRO 79 Cb 0.54 -2.53 0.10 0.00 -0.02 0.00 0.00 33.50 31.58 1hl6 n PRO 79 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1hl6 s PRO 80 N -0.10 1.85 0.55 0.52 0.04 -1.26 -3.05 135.00 133.54 1hl6 s PRO 80 Ca 0.69 0.17 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 1hl6 s PRO 80 Cb -0.61 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1hl6 s PRO 80 CO 0.46 -1.69 1.10 -2.14 0.04 0.00 0.00 177.00 174.77 1hl6 s PRO 81 N -5.50 3.39 0.00 0.56 0.02 -1.26 -3.43 135.00 128.78 1hl6 s PRO 81 Ca 0.62 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1hl6 s PRO 81 Cb -0.12 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1hl6 s PRO 81 CO 0.50 -0.80 0.00 -0.25 -0.33 0.00 0.00 177.00 176.12 1hl6 n ASP 82 N -1.43 1.27 -1.27 2.53 8.00 -0.98 -4.91 116.55 119.76 1hl6 n ASP 82 Ca 0.11 -0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.54 1hl6 n ASP 82 Cb 0.52 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.90 1hl6 n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hl6 n ARG 83 N 0.00 2.98 -0.10 -1.24 1.74 -1.26 -3.74 116.66 115.03 1hl6 n ARG 83 Ca 0.00 -2.26 -0.14 0.00 -0.77 0.00 0.00 57.85 54.68 1hl6 n ARG 83 Cb 0.00 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 29.61 1hl6 n ARG 83 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1hl6 n VAL 84 N 0.98 1.47 -3.81 1.55 0.31 -1.26 -4.98 118.33 112.58 1hl6 n VAL 84 Ca 0.21 -0.73 0.02 0.00 -0.01 0.00 0.00 64.34 63.83 1hl6 n VAL 84 Cb 0.68 -0.95 0.01 0.00 -0.91 0.00 0.00 33.84 32.66 1hl6 n VAL 84 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1hl6 s GLY 85 N -5.87 -0.27 -0.16 2.92 0.00 -1.25 -4.79 107.32 97.91 1hl6 s GLY 85 Ca -0.20 0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 1hl6 s GLY 85 CO 0.74 3.12 0.78 -1.60 0.00 0.00 0.00 173.10 176.14 1hl6 s ARG 86 N -2.16 0.86 0.02 2.90 3.52 -0.69 -2.31 118.95 121.08 1hl6 s ARG 86 Ca 0.23 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.34 1hl6 s ARG 86 Cb 0.02 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 1hl6 s ARG 86 CO -0.03 -0.21 -0.06 1.14 -0.81 0.00 0.00 175.30 175.33 1hl6 s GLN 87 N -0.56 0.46 -0.05 5.12 -2.07 -0.02 -1.50 119.66 121.04 1hl6 s GLN 87 Ca -0.05 -0.45 0.02 0.00 -1.82 0.00 0.00 55.36 53.06 1hl6 s GLN 87 Cb -0.02 -0.33 0.02 0.00 -1.09 0.00 0.00 33.01 31.59 1hl6 s GLN 87 CO 0.04 0.08 -0.07 -1.21 -1.32 0.00 0.00 175.29 172.80 1hl6 s GLU 88 N -0.82 1.15 -0.22 9.60 2.02 0.16 -2.07 118.70 128.53 1hl6 s GLU 88 Ca -0.04 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1hl6 s GLU 88 Cb -0.06 -1.04 0.03 0.00 0.10 0.00 0.00 34.13 33.16 1hl6 s GLU 88 CO 0.00 -0.04 -0.15 -1.17 0.02 0.00 0.00 175.26 173.93 1hl6 s LEU 89 N 0.81 2.75 -0.14 1.80 2.96 -0.43 -1.21 118.68 125.22 1hl6 s LEU 89 Ca -0.13 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 52.86 1hl6 s LEU 89 Cb -0.15 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1hl6 s LEU 89 CO 0.02 -0.08 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.07 1hl6 s GLU 90 N 1.23 2.73 0.02 1.98 2.12 0.30 -0.08 118.70 127.00 1hl6 s GLU 90 Ca -0.01 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1hl6 s GLU 90 Cb -0.16 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 1hl6 s GLU 90 CO -0.09 -0.10 -0.07 0.42 -0.54 0.00 0.00 175.26 174.88 1hl6 s ILE 91 N 1.05 0.52 -0.07 -3.70 1.01 0.07 -0.31 121.20 119.76 1hl6 s ILE 91 Ca -0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1hl6 s ILE 91 Cb -0.14 -0.53 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1hl6 s ILE 91 CO -0.06 -0.17 -0.04 -0.69 0.00 0.00 0.00 174.94 173.98 1hl6 s VAL 92 N -0.87 0.66 -0.25 2.92 1.01 -0.22 -0.85 120.40 122.81 1hl6 s VAL 92 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1hl6 s VAL 92 Cb -0.07 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.67 1hl6 s VAL 92 CO 0.00 0.29 0.10 -0.63 0.00 0.00 0.00 175.10 174.86 1hl6 s ILE 93 N 1.50 0.17 0.00 2.22 1.01 -0.49 -1.90 121.20 123.72 1hl6 s ILE 93 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1hl6 s ILE 93 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1hl6 s ILE 93 CO -0.04 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 174.99 1hl6 n GLY 94 N 5.16 2.88 0.16 6.18 0.00 -1.13 -1.99 105.19 116.45 1hl6 n GLY 94 Ca -0.06 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1hl6 n GLY 94 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl6 h ASP 95 N 0.00 0.00 -3.08 1.61 3.58 -1.97 -3.47 116.42 113.09 1hl6 h ASP 95 Ca 0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 1hl6 h ASP 95 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1hl6 h ASP 95 CO 0.00 0.06 -0.22 -1.61 -2.88 0.00 0.00 179.24 174.58 1hl6 s GLU 96 N -3.26 3.83 -0.04 0.28 2.02 -0.84 -5.08 118.70 115.61 1hl6 s GLU 96 Ca 0.02 0.29 -0.01 0.00 0.02 0.00 0.00 54.97 55.29 1hl6 s GLU 96 Cb 0.08 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.25 1hl6 s GLU 96 CO 0.74 0.61 0.04 -1.58 0.02 0.00 0.00 175.26 175.10 1hl6 s HIS 97 N -1.27 0.10 0.07 1.61 2.46 -1.26 -1.40 115.29 115.60 1hl6 s HIS 97 Ca 0.29 0.18 0.08 0.00 0.47 0.00 0.00 55.06 56.09 1hl6 s HIS 97 Cb -0.15 -0.43 -0.03 0.00 -0.13 0.00 0.00 32.58 31.84 1hl6 s HIS 97 CO 0.16 -0.17 -0.21 0.96 -2.47 0.00 0.00 174.74 173.01 1hl6 s ILE 98 N 1.79 1.73 -0.41 0.89 -4.36 -0.03 -4.99 121.20 115.82 1hl6 s ILE 98 Ca 0.00 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1hl6 s ILE 98 Cb -0.12 -1.52 0.17 0.00 1.25 0.00 0.00 42.46 42.24 1hl6 s ILE 98 CO -0.03 0.12 0.35 -0.24 0.24 0.00 0.00 174.94 175.38 1hl6 n SER 99 N 1.55 -0.47 -4.82 4.36 2.88 -1.26 -0.75 113.62 115.12 1hl6 n SER 99 Ca -0.18 -2.39 -0.33 0.00 -1.33 0.00 0.00 58.87 54.64 1hl6 n SER 99 Cb 0.53 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1hl6 n SER 99 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1hl6 s PHE 100 N -0.01 3.26 -0.04 0.66 2.99 0.88 -4.90 117.98 120.82 1hl6 s PHE 100 Ca 0.33 1.57 -0.06 0.00 0.00 0.00 0.00 56.93 58.77 1hl6 s PHE 100 Cb 0.05 -2.89 0.01 0.00 0.00 0.00 0.00 43.02 40.19 1hl6 s PHE 100 CO -0.19 -0.37 0.15 0.99 -0.00 0.00 0.00 175.22 175.79 1hl6 s THR 101 N -2.25 0.03 0.15 0.64 2.01 -1.26 -1.32 115.64 113.64 1hl6 s THR 101 Ca 0.63 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 1hl6 s THR 101 Cb -0.11 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 72.15 1hl6 s THR 101 CO 0.20 -0.13 0.65 1.07 -0.69 0.00 0.00 174.62 175.71 1hl6 n THR 102 N 2.48 0.00 -1.93 -0.82 5.66 -0.88 -4.80 114.28 113.99 1hl6 n THR 102 Ca -0.16 -0.42 -0.12 0.00 -3.05 0.00 0.00 64.05 60.29 1hl6 n THR 102 Cb 0.58 0.54 0.08 0.00 -1.55 0.00 0.00 70.33 69.97 1hl6 n THR 102 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1hl6 n SER 103 N -1.11 0.35 -4.75 1.09 3.41 -1.17 -0.84 113.62 110.59 1hl6 n SER 103 Ca -0.02 -1.39 -0.41 0.00 -0.26 0.00 0.00 58.87 56.79 1hl6 n SER 103 Cb 0.38 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1hl6 n SER 103 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hl6 s LYS 104 N -4.03 4.39 0.06 4.33 1.02 -1.26 -4.14 119.74 120.11 1hl6 s LYS 104 Ca 0.34 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1hl6 s LYS 104 Cb -0.01 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1hl6 s LYS 104 CO 0.23 -0.20 0.00 2.41 -0.92 0.00 0.00 175.35 176.87 1hl6 n THR 105 N 1.70 0.00 0.00 2.17 -1.04 -1.26 -5.04 114.28 110.81 1hl6 n THR 105 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1hl6 n THR 105 Cb 0.42 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1hl6 n THR 105 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1hl6 n LEU 108 N 0.00 0.00 0.20 -4.42 7.94 -1.26 -4.96 117.00 114.51 1hl6 n LEU 108 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 1hl6 n LEU 108 Cb 0.04 0.00 0.59 0.00 0.53 0.00 0.00 43.42 44.58 1hl6 n LEU 108 CO 0.00 0.00 1.09 1.62 -1.11 0.00 0.00 177.39 178.99 1hl6 h VAL 109 N 0.00 1.03 0.00 1.96 3.04 -2.05 -3.13 116.25 117.09 1hl6 h VAL 109 Ca 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1hl6 h VAL 109 Cb 0.00 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1hl6 h VAL 109 CO 0.00 0.03 -0.03 0.44 -1.01 0.00 0.00 177.57 177.00 1hl6 h ASP 110 N 0.12 -0.08 -0.92 3.17 3.32 -2.01 -2.93 116.42 117.09 1hl6 h ASP 110 Ca 0.03 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.24 1hl6 h ASP 110 Cb -0.00 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 1hl6 h ASP 110 CO -0.01 -0.04 0.59 -0.37 -1.72 0.00 0.00 179.24 177.69 1hl6 h VAL 111 N -0.05 0.83 -1.00 -1.35 -1.51 -1.91 -2.87 116.25 108.39 1hl6 h VAL 111 Ca 0.01 -0.25 0.07 0.00 -1.23 0.00 0.00 66.70 65.30 1hl6 h VAL 111 Cb 0.06 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 29.18 1hl6 h VAL 111 CO -0.03 0.13 0.64 0.78 -1.23 0.00 0.00 177.57 177.87 1hl6 h ASN 112 N 0.74 1.01 -0.57 4.19 2.35 -1.62 -2.46 115.58 119.22 1hl6 h ASN 112 Ca 0.47 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1hl6 h ASN 112 Cb 0.72 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1hl6 h ASN 112 CO -0.23 0.63 0.00 -1.14 -1.65 0.00 0.00 177.43 175.04 1hl6 n ARG 113 N -4.52 2.70 -2.28 0.81 3.00 -1.08 -4.76 116.66 110.54 1hl6 n ARG 113 Ca 0.16 -2.20 -0.16 0.00 -0.00 0.00 0.00 57.85 55.65 1hl6 n ARG 113 Cb 0.21 -1.58 0.07 0.00 0.00 0.00 0.00 32.46 31.16 1hl6 n ARG 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1hl6 n SER 114 N 1.09 1.29 -4.73 6.15 3.41 -0.92 -5.06 113.62 114.83 1hl6 n SER 114 Ca 0.20 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 1hl6 n SER 114 Cb 0.59 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1hl6 n SER 114 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hl6 s LYS 115 N -4.25 4.72 -1.03 4.33 1.02 -1.26 -3.97 119.74 119.31 1hl6 s LYS 115 Ca 0.49 1.46 -0.05 0.00 0.02 0.00 0.00 55.97 57.89 1hl6 s LYS 115 Cb -0.03 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 1hl6 s LYS 115 CO 0.32 0.26 0.89 -3.47 -0.92 0.00 0.00 175.35 172.43 1hl6 n ASP 116 N 2.57 -5.73 -0.27 2.83 2.03 -1.26 -4.65 116.55 112.07 1hl6 n ASP 116 Ca 0.02 -0.66 -0.04 0.00 0.52 0.00 0.00 54.79 54.63 1hl6 n ASP 116 Cb 0.49 -4.99 0.12 0.00 -0.72 0.00 0.00 41.12 36.02 1hl6 n ASP 116 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1hl6 h PRO 117 N -1.16 1.13 -0.61 -0.67 0.11 -1.73 -1.69 132.00 127.38 1hl6 h PRO 117 Ca -0.58 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1hl6 h PRO 117 Cb 1.30 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1hl6 h PRO 117 CO 0.43 0.87 0.40 1.49 -0.21 0.00 0.00 178.00 180.98 1hl6 h GLU 118 N 1.12 0.81 -0.35 1.05 4.57 -1.91 0.69 114.58 120.56 1hl6 h GLU 118 Ca 0.27 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1hl6 h GLU 118 Cb 0.12 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1hl6 h GLU 118 CO -0.03 0.54 -0.20 0.78 -1.18 0.00 0.00 179.01 178.92 1hl6 h GLY 119 N 0.83 0.82 2.00 1.92 0.00 -1.87 -1.65 103.07 105.13 1hl6 h GLY 119 Ca 0.22 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1hl6 h GLY 119 CO -0.05 0.69 -0.25 -2.00 0.00 0.00 0.00 176.54 174.93 1hl6 h LEU 120 N 0.54 0.00 -0.05 3.11 5.85 -1.14 -1.37 115.31 122.25 1hl6 h LEU 120 Ca 0.08 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 1hl6 h LEU 120 Cb 0.75 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.79 1hl6 h LEU 120 CO 0.06 0.25 -0.66 -0.09 -0.34 0.00 0.00 178.44 177.65 1hl6 h ARG 121 N 0.00 0.53 -0.58 1.25 2.43 -0.75 -1.23 114.38 116.03 1hl6 h ARG 121 Ca -0.00 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1hl6 h ARG 121 Cb 0.80 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1hl6 h ARG 121 CO 0.03 1.14 0.31 0.00 -1.51 0.00 0.00 179.97 179.95 1hl6 h PHE 123 N 0.78 0.45 -0.42 0.00 3.57 -1.24 -1.42 116.94 118.66 1hl6 h PHE 123 Ca 0.20 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1hl6 h PHE 123 Cb 0.05 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1hl6 h PHE 123 CO -0.01 0.38 0.19 -0.92 -2.23 0.00 0.00 178.31 175.72 1hl6 h TYR 124 N 0.38 0.35 -0.13 0.41 3.20 -0.65 -1.31 116.97 119.22 1hl6 h TYR 124 Ca 0.11 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 1hl6 h TYR 124 Cb 0.09 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1hl6 h TYR 124 CO -0.02 0.16 -0.60 1.88 -1.64 0.00 0.00 178.16 177.94 1hl6 h TYR 125 N 0.39 0.55 -0.57 -3.82 0.99 -0.95 -2.62 116.97 110.93 1hl6 h TYR 125 Ca 0.19 -0.21 -0.11 0.00 2.00 0.00 0.00 58.73 60.60 1hl6 h TYR 125 Cb 0.12 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.73 1hl6 h TYR 125 CO -0.12 0.92 -0.06 1.25 -0.00 0.00 0.00 178.16 180.14 1hl6 h LEU 126 N 0.32 1.03 -0.81 3.88 5.85 -1.05 -0.41 115.31 124.12 1hl6 h LEU 126 Ca -0.00 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 1hl6 h LEU 126 Cb 1.13 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1hl6 h LEU 126 CO 0.10 1.11 0.06 0.58 -0.34 0.00 0.00 178.44 179.95 1hl6 h VAL 127 N 0.93 1.25 -0.44 1.05 2.07 -1.19 0.06 116.25 119.99 1hl6 h VAL 127 Ca 0.15 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1hl6 h VAL 127 Cb 0.62 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1hl6 h VAL 127 CO 0.04 0.37 -0.15 1.56 0.02 0.00 0.00 177.57 179.41 1hl6 h GLN 128 N 0.89 0.87 -0.67 1.57 1.08 -1.09 -1.14 115.11 116.62 1hl6 h GLN 128 Ca 0.17 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 1hl6 h GLN 128 Cb 0.44 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1hl6 h GLN 128 CO 0.02 1.00 0.30 -0.44 -0.95 0.00 0.00 178.83 178.76 1hl6 h ASP 129 N 0.70 0.90 -0.23 1.46 3.45 -0.74 -1.48 116.42 120.48 1hl6 h ASP 129 Ca 0.10 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.37 1hl6 h ASP 129 Cb 0.71 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1hl6 h ASP 129 CO 0.05 0.79 -0.03 -0.07 -1.57 0.00 0.00 179.24 178.41 1hl6 h LEU 130 N 0.94 0.43 -0.78 1.55 3.38 -0.90 -2.67 115.31 117.26 1hl6 h LEU 130 Ca 0.23 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1hl6 h LEU 130 Cb 0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1hl6 h LEU 130 CO -0.02 0.67 0.46 0.11 0.09 0.00 0.00 178.44 179.75 1hl6 h LYS 131 N 0.18 0.81 -0.79 1.13 1.57 -1.13 -1.72 116.57 116.61 1hl6 h LYS 131 Ca 0.06 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1hl6 h LYS 131 Cb 0.47 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1hl6 h LYS 131 CO 0.02 0.53 0.51 0.00 -0.57 0.00 0.00 179.45 179.94 1hl6 h LEU 133 N 1.00 0.32 -0.12 0.00 6.46 -1.06 -2.32 115.31 119.57 1hl6 h LEU 133 Ca 0.31 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1hl6 h LEU 133 Cb -0.01 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1hl6 h LEU 133 CO -0.10 0.59 0.06 0.58 -0.62 0.00 0.00 178.44 178.95 1hl6 h VAL 134 N 0.04 1.11 -0.78 1.05 2.07 -1.00 -0.43 116.25 118.30 1hl6 h VAL 134 Ca 0.04 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1hl6 h VAL 134 Cb 0.44 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1hl6 h VAL 134 CO 0.01 0.10 0.51 -0.26 0.02 0.00 0.00 177.57 177.95 1hl6 h PHE 135 N 0.09 0.88 -0.19 1.57 0.05 -0.73 0.21 116.94 118.82 1hl6 h PHE 135 Ca 0.04 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 1hl6 h PHE 135 Cb 0.10 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 37.75 1hl6 h PHE 135 CO -0.04 0.48 -0.09 0.77 -0.18 0.00 0.00 178.31 179.25 1hl6 h SER 136 N 0.88 0.40 0.31 2.17 0.02 -1.00 0.16 113.55 116.48 1hl6 h SER 136 Ca 0.33 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1hl6 h SER 136 Cb 0.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1hl6 h SER 136 CO -0.11 0.72 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.02 1hl6 h LEU 137 N 0.08 -0.54 0.19 5.07 3.38 -0.28 -1.65 115.31 121.57 1hl6 h LEU 137 Ca 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1hl6 h LEU 137 Cb 0.57 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hl6 h LEU 137 CO 0.03 -0.33 -0.09 0.40 0.09 0.00 0.00 178.44 178.53 1hl6 h ILE 138 N -0.51 0.91 -0.41 1.22 1.08 -1.06 0.10 117.51 118.84 1hl6 h ILE 138 Ca -0.03 -0.65 0.09 0.00 -0.39 0.00 0.00 64.86 63.88 1hl6 h ILE 138 Cb 0.44 1.29 -0.09 0.00 -3.07 0.00 0.00 36.82 35.39 1hl6 h ILE 138 CO 0.01 0.14 -0.23 1.23 -0.69 0.00 0.00 178.15 178.62 1hl6 h GLY 139 N -0.58 0.02 0.93 5.37 0.00 -0.71 0.12 103.07 108.22 1hl6 h GLY 139 Ca -0.03 0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 1hl6 h GLY 139 CO 0.04 -0.21 -0.40 1.41 0.00 0.00 0.00 176.54 177.38 1hl6 h LEU 140 N -0.16 0.69 -0.78 3.11 4.07 -1.33 0.57 115.31 121.49 1hl6 h LEU 140 Ca 0.20 -0.56 -0.13 0.00 0.08 0.00 0.00 57.88 57.47 1hl6 h LEU 140 Cb 0.47 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1hl6 h LEU 140 CO -0.51 1.12 -0.53 -0.74 -1.08 0.00 0.00 178.44 176.69 1hl6 h HIS 141 N 0.29 0.26 0.00 1.13 2.76 -0.74 -3.36 115.15 115.48 1hl6 h HIS 141 Ca 0.00 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1hl6 h HIS 141 Cb 1.01 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1hl6 h HIS 141 CO 0.09 0.70 -0.48 1.19 -1.30 0.00 0.00 177.93 178.13 1hl6 n PHE 142 N -3.92 0.00 -2.60 5.26 3.72 0.01 -5.06 117.46 114.87 1hl6 n PHE 142 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1hl6 n PHE 142 Cb 0.56 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1hl6 n PHE 142 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1hl6 n LYS 143 N -1.25 -1.16 -2.81 -1.08 5.02 0.20 -5.03 118.16 112.06 1hl6 n LYS 143 Ca 0.00 1.34 -0.07 0.00 -2.02 0.00 0.00 58.31 57.56 1hl6 n LYS 143 Cb 0.03 -4.60 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 1hl6 n LYS 143 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1hl6 n ILE 144 N -1.26 0.00 -3.59 -0.18 5.41 -1.19 -5.02 119.36 113.53 1hl6 n ILE 144 Ca 0.02 -0.90 0.02 0.00 1.00 0.00 0.00 62.75 62.88 1hl6 n ILE 144 Cb 0.46 0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 39.96 1hl6 n ILE 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1hl6 s LYS 145 N -2.39 0.04 0.00 0.38 -2.85 -1.26 -4.10 119.74 109.57 1hl6 s LYS 145 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 1hl6 s LYS 145 Cb -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 1hl6 s LYS 145 CO 0.11 -0.02 0.28 -2.30 0.10 0.00 0.00 175.35 173.52