#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl6 s PHE 6 N 0.00 0.15 -0.06 1.24 5.36 -1.26 -1.89 117.98 121.52 1hl6 s PHE 6 Ca 0.00 -0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 1hl6 s PHE 6 Cb 0.00 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1hl6 s PHE 6 CO 0.00 -0.01 0.15 -0.47 -1.46 0.00 0.00 175.22 173.43 1hl6 s TYR 7 N 0.00 -0.16 -0.01 10.12 5.04 -0.30 -3.52 117.35 128.53 1hl6 s TYR 7 Ca 0.00 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1hl6 s TYR 7 Cb -0.01 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1hl6 s TYR 7 CO -0.00 -0.09 -0.01 -1.17 -1.34 0.00 0.00 175.55 172.94 1hl6 s LEU 8 N 0.25 1.83 -0.10 6.97 2.96 -0.99 -1.20 118.68 128.40 1hl6 s LEU 8 Ca -0.01 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 1hl6 s LEU 8 Cb -0.03 -0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.62 1hl6 s LEU 8 CO -0.01 -0.01 0.24 -0.60 -1.32 0.00 0.00 176.35 174.65 1hl6 s ARG 9 N 0.18 0.21 -0.03 1.98 3.52 0.75 -1.08 118.95 124.48 1hl6 s ARG 9 Ca -0.01 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1hl6 s ARG 9 Cb -0.03 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1hl6 s ARG 9 CO -0.01 -0.14 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.78 1hl6 s TYR 10 N 1.05 1.07 -0.02 5.12 5.04 -0.85 -0.17 117.35 128.59 1hl6 s TYR 10 Ca -0.08 -0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 1hl6 s TYR 10 Cb -0.09 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.46 1hl6 s TYR 10 CO -0.07 -0.13 -0.05 -0.47 -1.34 0.00 0.00 175.55 173.49 1hl6 s TYR 11 N 0.27 0.60 -0.10 4.97 5.04 0.58 -2.58 117.35 126.13 1hl6 s TYR 11 Ca -0.05 -0.13 -0.05 0.00 -2.44 0.00 0.00 57.07 54.41 1hl6 s TYR 11 Cb -0.10 -0.45 0.04 0.00 0.35 0.00 0.00 41.96 41.80 1hl6 s TYR 11 CO 0.01 -0.07 0.22 0.54 -1.34 0.00 0.00 175.55 174.91 1hl6 s VAL 12 N 0.25 -0.04 -3.29 3.14 0.11 -0.48 -0.30 120.40 119.78 1hl6 s VAL 12 Ca -0.03 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1hl6 s VAL 12 Cb -0.07 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1hl6 s VAL 12 CO -0.00 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1hl6 n GLY 13 N 4.22 -1.39 3.81 6.54 0.00 -0.85 -0.22 105.19 117.29 1hl6 n GLY 13 Ca -0.26 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 1hl6 n GLY 13 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hl6 s HIS 14 N -2.95 -0.08 0.00 1.61 -3.43 -0.73 -0.79 115.29 108.92 1hl6 s HIS 14 Ca 0.00 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 1hl6 s HIS 14 Cb 0.00 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.84 1hl6 s HIS 14 CO 0.00 -1.04 0.00 1.63 -2.00 0.00 0.00 174.74 173.33 1hl6 n LYS 15 N -0.51 0.00 0.00 -0.38 5.02 -1.26 -2.85 118.16 118.18 1hl6 n LYS 15 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1hl6 n LYS 15 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1hl6 n LYS 15 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1hl6 n PHE 18 N 9.74 0.00 0.00 2.13 1.16 -1.26 -4.71 117.46 124.51 1hl6 n PHE 18 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1hl6 n PHE 18 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1hl6 n PHE 18 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1hl6 n GLY 19 N -0.14 0.54 3.54 4.97 0.00 -1.26 -5.00 105.19 107.84 1hl6 n GLY 19 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 2.93 -0.09 1.61 5.65 -1.26 -4.98 115.29 119.15 1hl6 s HIS 20 Ca 0.00 0.16 -0.02 0.00 0.25 0.00 0.00 55.06 55.44 1hl6 s HIS 20 Cb 0.00 -3.83 -0.03 0.00 -1.18 0.00 0.00 32.58 27.54 1hl6 s HIS 20 CO 0.00 -1.10 0.02 -1.83 -0.65 0.00 0.00 174.74 171.18 1hl6 s GLU 21 N 3.53 3.07 0.01 2.88 4.04 -1.13 -4.81 118.70 126.29 1hl6 s GLU 21 Ca 0.31 -0.38 -0.29 0.00 0.04 0.00 0.00 54.97 54.65 1hl6 s GLU 21 Cb -0.12 -2.84 0.11 0.00 0.02 0.00 0.00 34.13 31.30 1hl6 s GLU 21 CO 0.23 0.69 1.19 -0.59 -1.84 0.00 0.00 175.26 174.93 1hl6 s PHE 22 N -0.83 -0.08 -0.04 4.83 -0.12 -0.37 -1.77 117.98 119.59 1hl6 s PHE 22 Ca 0.13 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.96 1hl6 s PHE 22 Cb -0.11 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1hl6 s PHE 22 CO 0.02 -0.41 -0.10 -1.17 -0.05 0.00 0.00 175.22 173.51 1hl6 s LEU 23 N -2.89 1.69 -0.22 -1.99 2.96 0.69 -1.04 118.68 117.89 1hl6 s LEU 23 Ca 0.13 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1hl6 s LEU 23 Cb 0.03 -0.68 0.07 0.00 0.50 0.00 0.00 46.19 46.11 1hl6 s LEU 23 CO -0.03 0.05 0.52 -0.70 -1.32 0.00 0.00 176.35 174.87 1hl6 s GLU 24 N 0.44 0.51 0.19 1.98 2.12 -0.50 -1.39 118.70 122.05 1hl6 s GLU 24 Ca -0.08 1.00 0.05 0.00 0.36 0.00 0.00 54.97 56.30 1hl6 s GLU 24 Cb -0.12 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.34 1hl6 s GLU 24 CO 0.02 -0.17 -0.09 -0.59 -0.54 0.00 0.00 175.26 173.89 1hl6 s PHE 25 N 1.69 1.48 -0.23 5.30 -0.12 -1.07 -0.51 117.98 124.52 1hl6 s PHE 25 Ca -0.09 -0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 55.96 1hl6 s PHE 25 Cb -0.08 -0.77 0.10 0.00 -0.63 0.00 0.00 43.02 41.64 1hl6 s PHE 25 CO -0.16 0.14 0.52 -2.00 -0.05 0.00 0.00 175.22 173.67 1hl6 s GLU 26 N -3.74 0.46 -0.40 1.99 2.12 -0.11 -2.01 118.70 117.00 1hl6 s GLU 26 Ca 0.21 1.15 -0.17 0.00 0.36 0.00 0.00 54.97 56.52 1hl6 s GLU 26 Cb 0.02 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.84 1hl6 s GLU 26 CO 0.05 -0.21 0.41 -0.06 -0.54 0.00 0.00 175.26 174.90 1hl6 s PHE 27 N 2.37 3.19 0.52 5.30 0.40 -0.24 -0.84 117.98 128.67 1hl6 s PHE 27 Ca -0.05 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.80 1hl6 s PHE 27 Cb -0.10 -2.81 -0.08 0.00 0.51 0.00 0.00 43.02 40.54 1hl6 s PHE 27 CO -0.16 -0.63 0.99 1.03 0.70 0.00 0.00 175.22 177.16 1hl6 s ARG 28 N 2.06 3.92 0.29 0.44 0.52 0.21 -2.34 118.95 124.04 1hl6 s ARG 28 Ca 0.11 0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 56.28 1hl6 s ARG 28 Cb -0.17 -2.13 0.67 0.00 0.52 0.00 0.00 34.95 33.84 1hl6 s ARG 28 CO 0.13 -0.30 1.62 -1.35 0.02 0.00 0.00 175.30 175.41 1hl6 h PRO 29 N 0.86 0.10 0.00 3.54 0.11 -1.86 0.49 132.00 135.23 1hl6 h PRO 29 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hl6 h PRO 29 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hl6 h PRO 29 CO 0.61 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1hl6 n ASP 30 N -5.35 0.00 0.00 -2.05 5.68 -1.26 -4.82 116.55 108.75 1hl6 n ASP 30 Ca 0.20 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 1hl6 n ASP 30 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.54 0.76 3.64 6.12 0.00 0.17 -4.86 105.19 111.55 1hl6 n GLY 31 Ca 0.16 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.68 4.10 -0.28 1.61 2.36 -1.21 -0.10 119.74 125.53 1hl6 s LYS 32 Ca 0.00 1.05 -0.09 0.00 -2.55 0.00 0.00 55.97 54.38 1hl6 s LYS 32 Cb 0.00 -3.71 -0.03 0.00 -1.05 0.00 0.00 37.83 33.04 1hl6 s LYS 32 CO 0.00 -0.78 0.13 -1.17 1.55 0.00 0.00 175.35 175.08 1hl6 s LEU 33 N 3.39 3.84 -0.19 5.43 2.96 0.14 0.65 118.68 134.90 1hl6 s LEU 33 Ca 0.42 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1hl6 s LEU 33 Cb -0.13 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1hl6 s LEU 33 CO 0.12 -0.09 0.05 -0.13 -1.32 0.00 0.00 176.35 174.97 1hl6 s ARG 34 N 1.66 3.88 -0.14 1.98 0.52 -0.02 -2.40 118.95 124.42 1hl6 s ARG 34 Ca 0.06 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1hl6 s ARG 34 Cb -0.16 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.14 1hl6 s ARG 34 CO 0.07 0.21 -0.21 -0.47 0.02 0.00 0.00 175.30 174.92 1hl6 s TYR 35 N 0.52 2.61 -0.06 -0.53 5.04 -0.16 -0.93 117.35 123.85 1hl6 s TYR 35 Ca 0.02 -1.34 0.01 0.00 -2.44 0.00 0.00 57.07 53.32 1hl6 s TYR 35 Cb -0.13 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.41 1hl6 s TYR 35 CO 0.01 -0.62 -0.07 0.00 -1.34 0.00 0.00 175.55 173.53 1hl6 s ALA 36 N 0.88 0.94 -0.13 3.97 0.00 0.33 -0.45 121.76 127.30 1hl6 s ALA 36 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1hl6 s ALA 36 Cb -0.15 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.49 1hl6 s ALA 36 CO -0.03 -0.02 0.06 1.21 0.00 0.00 0.00 175.76 176.97 1hl6 s ASN 37 N 0.94 2.05 -0.42 0.00 3.04 0.45 -1.41 114.94 119.60 1hl6 s ASN 37 Ca -0.10 -0.41 -0.13 0.00 0.04 0.00 0.00 52.86 52.27 1hl6 s ASN 37 Cb -0.15 -0.32 0.05 0.00 -1.54 0.00 0.00 41.25 39.29 1hl6 s ASN 37 CO 0.00 -0.29 0.28 0.20 -3.04 0.00 0.00 177.10 174.26 1hl6 s ASN 38 N 2.06 5.90 0.35 -4.21 -0.87 -0.20 -1.94 114.94 116.03 1hl6 s ASN 38 Ca 0.03 -1.17 -0.26 0.00 -1.57 0.00 0.00 52.86 49.89 1hl6 s ASN 38 Cb -0.15 -2.08 -0.09 0.00 -0.02 0.00 0.00 41.25 38.91 1hl6 s ASN 38 CO -0.07 -0.50 1.06 -0.55 -2.57 0.00 0.00 177.10 174.48 1hl6 s SER 39 N 1.96 6.98 0.49 -1.22 0.15 -1.26 -1.23 113.70 119.56 1hl6 s SER 39 Ca 0.03 2.12 0.33 0.00 0.70 0.00 0.00 55.95 59.13 1hl6 s SER 39 Cb -0.21 -2.60 1.55 0.00 -1.71 0.00 0.00 66.02 63.05 1hl6 s SER 39 CO 0.06 -0.34 1.99 -0.55 1.20 0.00 0.00 173.24 175.61 1hl6 h ASN 40 N 3.05 0.00 -3.59 5.45 -1.07 -1.95 -3.40 115.58 114.07 1hl6 h ASN 40 Ca -0.48 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.26 1hl6 h ASN 40 Cb 1.21 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 37.33 1hl6 h ASN 40 CO 0.64 0.00 0.01 -0.47 0.07 0.00 0.00 177.43 177.68 1hl6 s TYR 41 N -3.71 3.21 0.23 4.14 5.04 -1.26 -4.61 117.35 120.39 1hl6 s TYR 41 Ca -0.00 0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.98 1hl6 s TYR 41 Cb 0.10 -2.88 0.40 0.00 0.35 0.00 0.00 41.96 39.93 1hl6 s TYR 41 CO 0.43 -0.44 1.73 1.57 -1.34 0.00 0.00 175.55 177.49 1hl6 h LYS 42 N 8.27 0.40 0.00 4.97 -0.00 -2.03 -2.85 116.57 125.33 1hl6 h LYS 42 Ca -0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1hl6 h LYS 42 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 1hl6 h LYS 42 CO 0.76 0.26 0.00 0.09 -0.00 0.00 0.00 179.45 180.56 1hl6 n ASN 43 N -5.02 0.59 -4.83 7.07 3.02 -1.26 -4.69 115.26 110.14 1hl6 n ASN 43 Ca 0.13 0.67 -0.38 0.00 -0.03 0.00 0.00 54.58 54.97 1hl6 n ASN 43 Cb 0.38 -0.79 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 1hl6 n ASN 43 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1hl6 s ASP 44 N -4.10 6.70 0.39 6.41 1.47 -1.08 -5.04 116.67 121.43 1hl6 s ASP 44 Ca 0.03 0.84 -0.24 0.00 1.18 0.00 0.00 52.55 54.35 1hl6 s ASP 44 Cb 0.08 -2.22 -0.12 0.00 -0.34 0.00 0.00 42.92 40.32 1hl6 s ASP 44 CO 0.33 0.30 0.77 0.41 0.68 0.00 0.00 175.17 177.66 1hl6 n THR 45 N 2.10 2.06 -2.56 2.11 -1.04 -1.26 -4.75 114.28 110.94 1hl6 n THR 45 Ca -0.14 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.95 1hl6 n THR 45 Cb 0.53 -0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.69 3.39 0.13 -2.82 1.75 -1.26 -4.73 119.30 114.07 1hl6 s MET 46 Ca 0.63 0.09 -0.19 0.00 -1.25 0.00 0.00 55.69 54.96 1hl6 s MET 46 Cb -0.62 -4.08 -0.07 0.00 2.84 0.00 0.00 34.83 32.90 1hl6 s MET 46 CO 0.58 -1.86 0.63 0.42 -0.65 0.00 0.00 175.02 174.13 1hl6 s ILE 47 N 5.30 4.67 -0.25 10.11 1.01 -0.82 -4.95 121.20 136.27 1hl6 s ILE 47 Ca 0.41 1.22 -0.06 0.00 0.00 0.00 0.00 60.65 62.22 1hl6 s ILE 47 Cb -0.08 -3.89 0.13 0.00 0.01 0.00 0.00 42.46 38.63 1hl6 s ILE 47 CO 0.22 0.41 0.52 -0.13 0.00 0.00 0.00 174.94 175.96 1hl6 s ARG 48 N -1.47 0.45 0.12 2.79 0.52 -1.25 -0.41 118.95 119.70 1hl6 s ARG 48 Ca 0.35 1.10 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 1hl6 s ARG 48 Cb -0.18 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 1hl6 s ARG 48 CO 0.20 -0.35 -0.14 0.15 0.02 0.00 0.00 175.30 175.18 1hl6 s LYS 49 N 2.74 1.00 -0.01 3.54 -0.14 0.40 -4.99 119.74 122.28 1hl6 s LYS 49 Ca 0.03 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1hl6 s LYS 49 Cb -0.13 -0.91 0.01 0.00 -1.68 0.00 0.00 37.83 35.12 1hl6 s LYS 49 CO -0.17 0.18 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.38 1hl6 s GLU 50 N -2.54 0.17 -0.03 1.68 2.02 -1.26 -0.99 118.70 117.75 1hl6 s GLU 50 Ca 0.08 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 1hl6 s GLU 50 Cb -0.06 -0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.01 1hl6 s GLU 50 CO 0.03 -0.02 0.74 0.00 0.02 0.00 0.00 175.26 176.02 1hl6 s ALA 51 N 0.33 -1.77 -0.17 5.21 0.00 -1.01 -5.00 121.76 119.34 1hl6 s ALA 51 Ca -0.03 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 1hl6 s ALA 51 Cb -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1hl6 s ALA 51 CO -0.01 -0.45 0.35 -0.06 0.00 0.00 0.00 175.76 175.59 1hl6 s PHE 52 N -1.74 3.43 0.04 0.00 0.40 -1.26 0.24 117.98 119.09 1hl6 s PHE 52 Ca -0.06 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.85 1hl6 s PHE 52 Cb -0.00 -2.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 1hl6 s PHE 52 CO 0.03 0.14 0.28 0.14 0.70 0.00 0.00 175.22 176.51 1hl6 s VAL 53 N 0.78 5.29 0.77 -0.44 -7.23 0.85 -4.96 120.40 115.47 1hl6 s VAL 53 Ca 0.18 0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.24 1hl6 s VAL 53 Cb -0.14 -3.59 0.06 0.00 0.56 0.00 0.00 36.38 33.27 1hl6 s VAL 53 CO 0.06 0.26 1.18 -2.28 -0.31 0.00 0.00 175.10 174.01 1hl6 s HIS 54 N -1.41 2.02 0.37 2.82 2.46 -1.26 -4.79 115.29 115.50 1hl6 s HIS 54 Ca 0.32 1.63 0.11 0.00 0.47 0.00 0.00 55.06 57.59 1hl6 s HIS 54 Cb -0.13 -3.41 0.90 0.00 -0.13 0.00 0.00 32.58 29.81 1hl6 s HIS 54 CO 0.20 -2.56 1.85 0.37 -2.47 0.00 0.00 174.74 172.13 1hl6 h GLN 55 N -0.64 0.58 -0.04 2.88 5.75 -1.97 -0.38 115.11 121.29 1hl6 h GLN 55 Ca -0.46 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1hl6 h GLN 55 Cb 1.28 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1hl6 h GLN 55 CO 0.48 0.39 0.04 0.66 -2.65 0.00 0.00 178.83 177.75 1hl6 h SER 56 N 0.60 0.00 0.02 -0.69 4.64 -1.99 -1.23 113.55 114.90 1hl6 h SER 56 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1hl6 h SER 56 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1hl6 h SER 56 CO -0.22 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.31 1hl6 h VAL 57 N 0.00 1.36 -0.95 0.95 2.07 -1.40 -2.12 116.25 116.16 1hl6 h VAL 57 Ca 0.02 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.44 1hl6 h VAL 57 Cb 0.10 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1hl6 h VAL 57 CO -0.00 0.31 0.61 0.24 0.02 0.00 0.00 177.57 178.74 1hl6 h MET 58 N -0.55 0.90 -0.52 1.57 2.07 -1.39 0.45 114.93 117.45 1hl6 h MET 58 Ca -0.00 -0.05 -0.09 0.00 -2.07 0.00 0.00 59.70 57.49 1hl6 h MET 58 Cb 0.53 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 30.04 1hl6 h MET 58 CO 0.00 0.59 -0.02 0.93 1.07 0.00 0.00 176.91 179.49 1hl6 h GLU 59 N 0.92 0.93 -0.16 1.72 5.08 -1.20 -0.39 114.58 121.48 1hl6 h GLU 59 Ca 0.46 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1hl6 h GLU 59 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1hl6 h GLU 59 CO -0.22 0.95 0.08 1.49 -1.00 0.00 0.00 179.01 180.32 1hl6 h GLU 60 N 0.79 0.23 -0.54 2.33 4.22 -0.65 0.19 114.58 121.16 1hl6 h GLU 60 Ca 0.14 -0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.65 1hl6 h GLU 60 Cb 0.55 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 1hl6 h GLU 60 CO 0.03 0.27 0.05 1.25 -2.18 0.00 0.00 179.01 178.43 1hl6 h LEU 61 N 0.14 -0.13 -0.75 1.64 6.46 -0.67 0.10 115.31 122.10 1hl6 h LEU 61 Ca 0.06 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1hl6 h LEU 61 Cb 0.12 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1hl6 h LEU 61 CO -0.01 -0.04 0.24 0.50 -0.62 0.00 0.00 178.44 178.51 1hl6 h LYS 62 N 0.17 1.16 -0.65 1.25 3.64 -0.59 -2.12 116.57 119.44 1hl6 h LYS 62 Ca 0.28 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1hl6 h LYS 62 Cb 0.42 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1hl6 h LYS 62 CO -0.41 0.99 0.20 -0.09 -2.27 0.00 0.00 179.45 177.86 1hl6 h ARG 63 N 1.12 1.01 -0.57 1.90 2.43 0.82 -0.81 114.38 120.27 1hl6 h ARG 63 Ca 0.24 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1hl6 h ARG 63 Cb 0.30 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1hl6 h ARG 63 CO -0.01 0.89 0.07 0.82 -1.51 0.00 0.00 179.97 180.23 1hl6 h ILE 64 N 0.94 1.25 -0.01 1.20 2.04 -0.62 -1.69 117.51 120.62 1hl6 h ILE 64 Ca 0.21 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1hl6 h ILE 64 Cb 0.30 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1hl6 h ILE 64 CO -0.01 0.36 -0.01 0.40 0.00 0.00 0.00 178.15 178.90 1hl6 h ILE 65 N 0.87 1.38 -0.61 -0.67 2.04 -1.04 -2.21 117.51 117.27 1hl6 h ILE 65 Ca 0.18 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1hl6 h ILE 65 Cb 0.42 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1hl6 h ILE 65 CO 0.01 0.30 0.37 0.40 0.00 0.00 0.00 178.15 179.23 1hl6 h ILE 66 N -0.46 1.06 0.00 -0.67 2.04 -1.15 -2.24 117.51 116.08 1hl6 h ILE 66 Ca 0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1hl6 h ILE 66 Cb 0.49 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1hl6 h ILE 66 CO 0.00 0.13 -0.15 -0.78 0.00 0.00 0.00 178.15 177.36 1hl6 h ASP 67 N 0.72 0.00 1.47 1.72 1.82 -1.31 -2.66 116.42 118.18 1hl6 h ASP 67 Ca 0.25 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.79 1hl6 h ASP 67 Cb 0.05 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1hl6 h ASP 67 CO -0.11 0.15 -0.54 0.77 -1.61 0.00 0.00 179.24 177.89 1hl6 h SER 68 N 0.00 0.00 -1.19 2.28 4.64 -0.79 -3.48 113.55 115.01 1hl6 h SER 68 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1hl6 h SER 68 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1hl6 h SER 68 CO 0.02 0.48 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.59 1hl6 n GLU 69 N -3.19 -0.83 0.20 4.77 1.02 -1.01 -4.91 120.64 116.69 1hl6 n GLU 69 Ca 0.01 0.65 0.03 0.00 -0.02 0.00 0.00 57.16 57.83 1hl6 n GLU 69 Cb 0.73 -4.70 0.41 0.00 -0.02 0.00 0.00 31.44 27.86 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 1.22 -0.24 -3.67 6.09 -1.85 -3.02 117.51 116.04 1hl6 h ILE 70 Ca -0.24 -1.05 0.03 0.00 -1.37 0.00 0.00 64.86 62.23 1hl6 h ILE 70 Cb 1.02 1.57 -0.01 0.00 0.47 0.00 0.00 36.82 39.87 1hl6 h ILE 70 CO 0.31 0.30 0.16 0.24 -3.07 0.00 0.00 178.15 176.09 1hl6 h MET 71 N 0.00 0.17 -1.00 2.19 2.86 -1.91 -1.70 114.93 115.54 1hl6 h MET 71 Ca -0.00 -0.01 -0.51 0.00 -2.06 0.00 0.00 59.70 57.12 1hl6 h MET 71 Cb 0.54 -0.04 -0.29 0.00 0.06 0.00 0.00 31.60 31.87 1hl6 h MET 71 CO 0.04 0.11 0.65 0.00 1.06 0.00 0.00 176.91 178.77 1hl6 n GLN 72 N -4.49 2.22 -3.76 1.72 0.00 -1.14 -4.94 117.38 106.99 1hl6 n GLN 72 Ca 0.02 -2.89 -0.25 0.00 0.00 0.00 0.00 57.00 53.88 1hl6 n GLN 72 Cb 0.19 -2.13 -0.00 0.00 0.00 0.00 0.00 30.24 28.30 1hl6 n GLN 72 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1hl6 s GLU 73 N -3.19 2.29 -0.17 2.61 0.41 -0.64 -5.15 118.70 114.87 1hl6 s GLU 73 Ca 0.55 -1.92 -0.09 0.00 -0.41 0.00 0.00 54.97 53.10 1hl6 s GLU 73 Cb 0.46 -2.19 0.06 0.00 -1.78 0.00 0.00 34.13 30.68 1hl6 s GLU 73 CO 0.10 -0.59 0.40 0.34 -0.49 0.00 0.00 175.26 175.02 1hl6 s ASP 74 N -4.30 -0.48 0.00 -0.19 -1.08 -1.26 -5.04 116.67 104.32 1hl6 s ASP 74 Ca 0.39 0.89 0.29 0.00 -0.52 0.00 0.00 52.55 53.60 1hl6 s ASP 74 Cb -0.03 0.81 1.32 0.00 -1.46 0.00 0.00 42.92 43.56 1hl6 s ASP 74 CO 0.24 -0.20 1.92 -0.90 0.52 0.00 0.00 175.17 176.75 1hl6 n ASP 75 N 4.37 0.37 -0.33 -0.34 3.85 -1.26 -4.28 116.55 118.93 1hl6 n ASP 75 Ca -0.22 -0.53 0.14 0.00 -0.71 0.00 0.00 54.79 53.48 1hl6 n ASP 75 Cb 0.55 -0.11 0.34 0.00 -1.35 0.00 0.00 41.12 40.55 1hl6 n ASP 75 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1hl6 h LEU 76 N 0.45 0.62 0.00 -2.12 5.85 -1.96 -1.52 115.31 116.63 1hl6 h LEU 76 Ca 0.00 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1hl6 h LEU 76 Cb 0.32 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1hl6 h LEU 76 CO 0.00 0.14 -0.58 -0.65 -0.34 0.00 0.00 178.44 177.01 1hl6 h PRO 77 N 0.60 0.00 -7.23 5.25 0.11 -1.94 -3.48 132.00 125.31 1hl6 h PRO 77 Ca 0.59 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 66.18 1hl6 h PRO 77 Cb 1.05 0.00 0.17 0.00 0.11 0.00 0.00 31.00 32.33 1hl6 h PRO 77 CO -0.45 0.38 0.32 -1.58 -0.21 0.00 0.00 178.00 176.46 1hl6 s TRP 78 N -3.01 1.96 0.58 0.65 0.51 -0.57 -4.68 118.94 114.37 1hl6 s TRP 78 Ca 0.03 1.67 -0.20 0.00 -2.12 0.00 0.00 56.10 55.49 1hl6 s TRP 78 Cb 0.07 -3.37 -0.05 0.00 -0.81 0.00 0.00 33.47 29.31 1hl6 s TRP 78 CO 0.75 -2.58 1.06 -2.30 -0.51 0.00 0.00 176.95 173.36 1hl6 n PRO 79 N -3.37 1.09 -2.63 4.98 -0.02 -1.26 -4.97 135.00 128.81 1hl6 n PRO 79 Ca 0.12 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.76 1hl6 n PRO 79 Cb 0.51 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.75 3.03 0.21 0.52 0.04 -1.26 -3.58 135.00 131.21 1hl6 s PRO 80 Ca 0.74 -0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1hl6 s PRO 80 Cb -0.43 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1hl6 s PRO 80 CO 0.48 -0.50 1.38 -2.14 0.04 0.00 0.00 177.00 176.26 1hl6 s PRO 81 N -4.81 4.33 0.36 0.56 0.02 -1.26 -3.63 135.00 130.58 1hl6 s PRO 81 Ca 0.51 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.72 1hl6 s PRO 81 Cb -0.10 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1hl6 s PRO 81 CO 0.42 -0.35 0.19 -0.40 -0.33 0.00 0.00 177.00 176.53 1hl6 n ASP 82 N 2.73 2.41 0.19 2.53 3.85 -1.00 -4.92 116.55 122.33 1hl6 n ASP 82 Ca 0.07 -2.34 0.13 0.00 -0.71 0.00 0.00 54.79 51.95 1hl6 n ASP 82 Cb 0.41 0.06 0.40 0.00 -1.35 0.00 0.00 41.12 40.64 1hl6 n ASP 82 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1hl6 h ARG 83 N 0.00 0.00 0.00 0.11 1.12 -2.00 -3.04 114.38 110.57 1hl6 h ARG 83 Ca -0.25 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.47 1hl6 h ARG 83 Cb 0.85 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.79 1hl6 h ARG 83 CO 0.40 0.00 -0.70 0.28 -3.11 0.00 0.00 179.97 176.84 1hl6 h VAL 84 N 0.00 1.40 -1.49 0.20 2.07 -1.96 -3.38 116.25 113.09 1hl6 h VAL 84 Ca 0.00 -2.47 0.28 0.00 0.82 0.00 0.00 66.70 65.33 1hl6 h VAL 84 Cb 0.72 2.37 -0.16 0.00 -1.52 0.00 0.00 31.29 32.70 1hl6 h VAL 84 CO 0.00 0.68 0.81 -0.83 0.02 0.00 0.00 177.57 178.25 1hl6 s GLY 85 N -4.53 -0.35 -0.28 2.17 0.00 -1.15 -4.68 107.32 98.50 1hl6 s GLY 85 Ca 0.00 1.16 -0.18 0.00 0.00 0.00 0.00 44.72 45.70 1hl6 s GLY 85 CO 0.77 0.34 0.72 -1.60 0.00 0.00 0.00 173.10 173.32 1hl6 s ARG 86 N -2.45 0.71 0.12 2.90 3.52 0.03 -2.38 118.95 121.40 1hl6 s ARG 86 Ca 0.11 1.15 0.08 0.00 -0.13 0.00 0.00 55.73 56.94 1hl6 s ARG 86 Cb 0.02 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.56 1hl6 s ARG 86 CO -0.04 -0.14 -0.19 1.14 -0.81 0.00 0.00 175.30 175.26 1hl6 s GLN 87 N 1.37 1.14 -0.05 5.12 -2.07 -0.18 -2.01 119.66 122.98 1hl6 s GLN 87 Ca -0.08 -1.21 -0.08 0.00 -1.82 0.00 0.00 55.36 52.17 1hl6 s GLN 87 Cb -0.05 -1.31 0.01 0.00 -1.09 0.00 0.00 33.01 30.57 1hl6 s GLN 87 CO -0.16 0.29 0.19 -1.83 -1.32 0.00 0.00 175.29 172.47 1hl6 s GLU 88 N -2.15 0.34 -0.12 9.60 -1.05 0.58 -2.06 118.70 123.83 1hl6 s GLU 88 Ca 0.08 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 1hl6 s GLU 88 Cb -0.09 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1hl6 s GLU 88 CO 0.05 -0.06 -0.11 -1.17 0.95 0.00 0.00 175.26 174.91 1hl6 s LEU 89 N -0.41 1.47 -0.16 1.83 2.96 -0.86 -0.31 118.68 123.20 1hl6 s LEU 89 Ca -0.05 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1hl6 s LEU 89 Cb -0.03 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1hl6 s LEU 89 CO 0.01 -0.07 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.19 1hl6 s GLU 90 N 1.48 3.15 -0.03 1.98 2.02 0.76 -0.75 118.70 127.31 1hl6 s GLU 90 Ca 0.03 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1hl6 s GLU 90 Cb -0.13 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1hl6 s GLU 90 CO -0.08 -0.05 -0.01 0.42 0.02 0.00 0.00 175.26 175.56 1hl6 s ILE 91 N 0.96 0.27 -0.19 -1.63 1.01 0.06 -0.18 121.20 121.49 1hl6 s ILE 91 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1hl6 s ILE 91 Cb -0.15 -0.33 0.03 0.00 0.01 0.00 0.00 42.46 42.02 1hl6 s ILE 91 CO -0.03 0.16 -0.16 -0.69 0.00 0.00 0.00 174.94 174.22 1hl6 s VAL 92 N 0.90 1.91 -0.27 2.92 1.01 -0.34 -0.34 120.40 126.20 1hl6 s VAL 92 Ca -0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1hl6 s VAL 92 Cb -0.13 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.49 1hl6 s VAL 92 CO -0.01 0.36 0.04 -0.63 0.00 0.00 0.00 175.10 174.85 1hl6 s ILE 93 N 1.31 1.15 0.00 2.22 1.01 -0.18 -1.15 121.20 125.57 1hl6 s ILE 93 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1hl6 s ILE 93 Cb -0.15 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1hl6 s ILE 93 CO -0.10 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.04 1hl6 n GLY 94 N 4.77 3.24 0.17 6.18 0.00 -0.79 -1.72 105.19 117.03 1hl6 n GLY 94 Ca -0.06 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1hl6 n GLY 94 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1hl6 h ASP 95 N 0.00 0.00 -3.22 1.61 2.03 -1.96 -3.43 116.42 111.44 1hl6 h ASP 95 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1hl6 h ASP 95 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1hl6 h ASP 95 CO 0.00 0.09 -0.15 -1.61 -1.03 0.00 0.00 179.24 176.54 1hl6 s GLU 96 N -3.21 3.89 -0.06 4.15 2.02 -0.70 -5.09 118.70 119.71 1hl6 s GLU 96 Ca 0.04 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.37 1hl6 s GLU 96 Cb 0.07 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.36 1hl6 s GLU 96 CO 0.73 0.52 0.10 -1.58 0.02 0.00 0.00 175.26 175.04 1hl6 s HIS 97 N -1.42 -0.03 -0.05 1.61 5.65 -1.26 -1.01 115.29 118.78 1hl6 s HIS 97 Ca 0.35 0.39 0.05 0.00 0.25 0.00 0.00 55.06 56.09 1hl6 s HIS 97 Cb -0.15 -0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 30.84 1hl6 s HIS 97 CO 0.18 -0.22 -0.18 0.96 -0.65 0.00 0.00 174.74 174.84 1hl6 s ILE 98 N 2.16 2.77 -0.45 0.89 -4.36 0.54 -4.98 121.20 117.78 1hl6 s ILE 98 Ca 0.04 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.62 1hl6 s ILE 98 Cb -0.12 -2.06 0.16 0.00 1.25 0.00 0.00 42.46 41.69 1hl6 s ILE 98 CO -0.04 0.58 0.31 -0.55 0.24 0.00 0.00 174.94 175.48 1hl6 s SER 99 N -0.60 2.75 0.40 4.36 0.15 -1.26 -0.76 113.70 118.74 1hl6 s SER 99 Ca 0.09 -2.88 -0.11 0.00 0.70 0.00 0.00 55.95 53.75 1hl6 s SER 99 Cb -0.11 -0.73 -0.07 0.00 -1.71 0.00 0.00 66.02 63.40 1hl6 s SER 99 CO 0.01 -0.21 0.77 -0.36 1.20 0.00 0.00 173.24 174.65 1hl6 s PHE 100 N 0.14 3.46 0.05 3.44 2.99 0.07 -4.93 117.98 123.20 1hl6 s PHE 100 Ca 0.25 1.07 0.01 0.00 0.00 0.00 0.00 56.93 58.26 1hl6 s PHE 100 Cb -0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 43.02 40.44 1hl6 s PHE 100 CO -0.10 -0.10 -0.06 0.99 -0.00 0.00 0.00 175.22 175.95 1hl6 s THR 101 N -2.35 0.45 -0.08 0.64 2.01 -1.26 -2.02 115.64 113.03 1hl6 s THR 101 Ca 0.52 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1hl6 s THR 101 Cb -0.10 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1hl6 s THR 101 CO 0.30 -0.54 0.00 1.07 -0.69 0.00 0.00 174.62 174.76 1hl6 n THR 102 N 1.13 0.00 -2.43 -0.82 5.66 -0.88 -4.87 114.28 112.07 1hl6 n THR 102 Ca -0.21 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.54 1hl6 n THR 102 Cb 0.56 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.05 1.02 -4.76 1.09 3.41 -1.24 -1.01 113.62 112.18 1hl6 n SER 103 Ca 0.00 -1.97 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 1hl6 n SER 103 Cb 0.00 -0.76 0.07 0.00 -0.26 0.00 0.00 64.21 63.26 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 -5.37 2.47 -0.41 4.33 1.02 -1.26 -4.16 119.74 116.36 1hl6 s LYS 104 Ca 0.70 1.42 0.02 0.00 0.02 0.00 0.00 55.97 58.13 1hl6 s LYS 104 Cb -0.03 -1.91 0.14 0.00 -0.52 0.00 0.00 37.83 35.51 1hl6 s LYS 104 CO 0.47 -1.51 0.25 0.95 -0.92 0.00 0.00 175.35 174.59 1hl6 s THR 105 N -2.40 0.88 -0.16 2.17 -4.23 -1.26 -4.96 115.64 105.68 1hl6 s THR 105 Ca 0.67 -2.32 0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1hl6 s THR 105 Cb -0.21 -1.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 1hl6 s THR 105 CO 0.46 -0.97 0.94 1.23 -0.54 0.00 0.00 174.62 175.74 1hl6 h GLY 106 N 6.67 0.00 -5.39 3.99 0.00 -2.03 -3.47 103.07 102.85 1hl6 h GLY 106 Ca 0.05 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.76 1hl6 h GLY 106 CO 0.40 0.00 -0.86 -0.45 0.00 0.00 0.00 176.54 175.63 1hl6 s SER 107 N -5.71 2.60 0.57 0.19 0.15 -1.26 -4.98 113.70 105.27 1hl6 s SER 107 Ca -0.02 -0.45 0.30 0.00 0.70 0.00 0.00 55.95 56.48 1hl6 s SER 107 Cb 0.09 -1.03 1.72 0.00 -1.71 0.00 0.00 66.02 65.09 1hl6 s SER 107 CO 0.80 0.14 2.19 0.25 1.20 0.00 0.00 173.24 177.82 1hl6 h LEU 108 N 6.59 0.00 -0.85 3.45 5.85 -2.00 -1.74 115.31 126.60 1hl6 h LEU 108 Ca -0.26 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1hl6 h LEU 108 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1hl6 h LEU 108 CO 0.47 0.05 0.18 0.58 -0.34 0.00 0.00 178.44 179.38 1hl6 h VAL 109 N 0.00 1.25 0.00 1.05 2.07 -1.99 -1.77 116.25 116.86 1hl6 h VAL 109 Ca -0.00 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.50 1hl6 h VAL 109 Cb 0.13 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1hl6 h VAL 109 CO 0.01 0.34 -0.62 0.44 0.02 0.00 0.00 177.57 177.76 1hl6 h ASP 110 N 0.99 0.00 0.33 0.57 5.19 -1.73 -3.16 116.42 118.61 1hl6 h ASP 110 Ca 0.21 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1hl6 h ASP 110 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1hl6 h ASP 110 CO -0.00 0.62 -0.16 0.58 -3.12 0.00 0.00 179.24 177.16 1hl6 h VAL 111 N 0.00 0.66 0.00 -1.35 2.07 -1.12 -3.11 116.25 113.40 1hl6 h VAL 111 Ca -0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1hl6 h VAL 111 Cb 1.16 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1hl6 h VAL 111 CO 0.08 0.10 0.00 -3.20 0.02 0.00 0.00 177.57 174.57 1hl6 n ASN 112 N -5.16 0.00 -0.64 0.57 4.05 -0.73 -2.60 115.26 110.75 1hl6 n ASN 112 Ca -0.10 -1.07 0.08 0.00 0.45 0.00 0.00 54.58 53.95 1hl6 n ASN 112 Cb 0.27 0.00 0.21 0.00 1.23 0.00 0.00 39.78 41.49 1hl6 n ASN 112 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1hl6 n ARG 113 N -0.75 2.52 -4.33 1.20 1.74 -1.18 -4.90 116.66 110.97 1hl6 n ARG 113 Ca 0.09 -2.67 -0.30 0.00 -0.77 0.00 0.00 57.85 54.20 1hl6 n ARG 113 Cb 0.04 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 1hl6 n ARG 113 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1hl6 s SER 114 N -2.05 4.39 0.33 0.55 1.04 -1.07 -5.05 113.70 111.84 1hl6 s SER 114 Ca 0.37 -1.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.13 1hl6 s SER 114 Cb 0.30 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 1hl6 s SER 114 CO 0.08 -1.02 0.82 -1.59 0.98 0.00 0.00 173.24 172.51 1hl6 s LYS 115 N -4.10 4.20 -1.13 4.02 -2.85 -1.26 -3.79 119.74 114.83 1hl6 s LYS 115 Ca 0.18 0.93 -0.05 0.00 -1.00 0.00 0.00 55.97 56.03 1hl6 s LYS 115 Cb -0.01 -2.51 -0.04 0.00 -2.06 0.00 0.00 37.83 33.21 1hl6 s LYS 115 CO 0.11 0.18 0.91 -3.47 0.10 0.00 0.00 175.35 173.18 1hl6 n ASP 116 N -0.07 -4.50 0.27 0.03 2.03 -1.26 -4.66 116.55 108.39 1hl6 n ASP 116 Ca 0.03 -0.72 0.16 0.00 0.52 0.00 0.00 54.79 54.77 1hl6 n ASP 116 Cb 0.52 -4.89 0.68 0.00 -0.72 0.00 0.00 41.12 36.72 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 -1.50 0.00 -0.11 -0.67 0.11 -1.79 -1.24 132.00 126.81 1hl6 h PRO 117 Ca -0.61 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.31 1hl6 h PRO 117 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1hl6 h PRO 117 CO 0.48 0.07 -0.72 0.93 -0.21 0.00 0.00 178.00 178.54 1hl6 h GLU 118 N 0.00 0.52 0.20 1.05 4.39 -1.90 -0.11 114.58 118.73 1hl6 h GLU 118 Ca -0.00 -0.41 -0.32 0.00 0.34 0.00 0.00 59.36 58.97 1hl6 h GLU 118 Cb 0.51 0.08 0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1hl6 h GLU 118 CO 0.01 1.04 -1.43 0.78 -1.16 0.00 0.00 179.01 178.25 1hl6 h GLY 119 N 1.08 0.47 1.67 -3.84 0.00 -1.82 -2.96 103.07 97.67 1hl6 h GLY 119 Ca -0.03 -1.21 -0.15 0.00 0.00 0.00 0.00 47.33 45.93 1hl6 h GLY 119 CO 0.13 1.06 -0.61 -2.00 0.00 0.00 0.00 176.54 175.13 1hl6 h LEU 120 N 0.11 0.38 -1.27 3.11 5.85 -1.28 -2.57 115.31 119.64 1hl6 h LEU 120 Ca -0.22 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1hl6 h LEU 120 Cb 2.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1hl6 h LEU 120 CO 0.23 0.90 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.84 1hl6 h ARG 121 N 0.25 0.00 -0.20 1.25 2.43 -1.08 -0.66 114.38 116.37 1hl6 h ARG 121 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1hl6 h ARG 121 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1hl6 h ARG 121 CO 0.10 0.31 -0.13 0.00 -1.51 0.00 0.00 179.97 178.73 1hl6 h PHE 123 N 0.12 0.28 0.24 0.00 3.57 -1.08 -1.16 116.94 118.91 1hl6 h PHE 123 Ca 0.04 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1hl6 h PHE 123 Cb 0.64 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1hl6 h PHE 123 CO 0.07 0.16 -0.36 -0.92 -2.23 0.00 0.00 178.31 175.03 1hl6 h TYR 124 N 0.31 -0.97 -0.74 0.41 3.20 -1.06 -0.33 116.97 117.80 1hl6 h TYR 124 Ca 0.11 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1hl6 h TYR 124 Cb 0.02 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1hl6 h TYR 124 CO -0.09 -0.48 0.23 1.88 -1.64 0.00 0.00 178.16 178.06 1hl6 h TYR 125 N -0.66 1.19 -0.39 -3.82 0.99 -1.32 -1.78 116.97 111.18 1hl6 h TYR 125 Ca 0.00 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 1hl6 h TYR 125 Cb 0.64 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 38.01 1hl6 h TYR 125 CO -0.26 0.94 0.23 1.25 -0.00 0.00 0.00 178.16 180.32 1hl6 h LEU 126 N 1.09 0.47 -0.85 3.88 5.85 -1.05 -0.42 115.31 124.29 1hl6 h LEU 126 Ca 0.24 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1hl6 h LEU 126 Cb 0.31 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1hl6 h LEU 126 CO -0.01 0.40 0.55 0.58 -0.34 0.00 0.00 178.44 179.61 1hl6 h VAL 127 N 0.50 1.22 -0.67 1.05 2.07 -0.76 0.11 116.25 119.78 1hl6 h VAL 127 Ca 0.14 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1hl6 h VAL 127 Cb 0.02 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1hl6 h VAL 127 CO -0.02 0.22 0.24 1.56 0.02 0.00 0.00 177.57 179.59 1hl6 h GLN 128 N 1.15 1.03 -0.46 1.57 4.20 -0.93 0.11 115.11 121.79 1hl6 h GLN 128 Ca 0.31 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1hl6 h GLN 128 Cb -0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1hl6 h GLN 128 CO -0.06 0.88 0.06 -0.44 -0.67 0.00 0.00 178.83 178.59 1hl6 h ASP 129 N 0.97 0.67 -0.17 1.46 3.45 -0.24 -1.35 116.42 121.21 1hl6 h ASP 129 Ca 0.22 -0.13 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 1hl6 h ASP 129 Cb 0.26 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1hl6 h ASP 129 CO -0.01 0.71 -0.26 -0.07 -1.57 0.00 0.00 179.24 178.03 1hl6 h LEU 130 N 0.68 0.53 -0.93 1.55 3.38 -0.32 -2.80 115.31 117.40 1hl6 h LEU 130 Ca 0.15 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1hl6 h LEU 130 Cb 0.34 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1hl6 h LEU 130 CO 0.01 0.95 0.61 0.11 0.09 0.00 0.00 178.44 180.21 1hl6 h LYS 131 N 0.12 1.19 -0.62 1.13 1.57 -0.49 -1.79 116.57 117.69 1hl6 h LYS 131 Ca 0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1hl6 h LYS 131 Cb 0.84 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1hl6 h LYS 131 CO 0.06 0.79 0.25 0.00 -0.57 0.00 0.00 179.45 179.98 1hl6 h LEU 133 N 0.88 -0.02 -0.29 0.00 6.46 -1.14 -2.55 115.31 118.66 1hl6 h LEU 133 Ca 0.21 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1hl6 h LEU 133 Cb 0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1hl6 h LEU 133 CO -0.02 0.34 0.08 0.58 -0.62 0.00 0.00 178.44 178.81 1hl6 h VAL 134 N -0.38 1.21 -0.53 1.05 2.07 -1.14 0.40 116.25 118.92 1hl6 h VAL 134 Ca -0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1hl6 h VAL 134 Cb 0.37 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1hl6 h VAL 134 CO 0.00 0.22 0.35 -0.26 0.02 0.00 0.00 177.57 177.90 1hl6 h PHE 135 N 0.31 0.68 0.02 1.57 0.05 -0.84 0.61 116.94 119.34 1hl6 h PHE 135 Ca 0.09 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1hl6 h PHE 135 Cb 0.26 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1hl6 h PHE 135 CO 0.01 0.43 -0.01 0.77 -0.18 0.00 0.00 178.31 179.33 1hl6 h SER 136 N 0.73 -0.03 0.52 2.17 0.02 -1.20 0.21 113.55 115.98 1hl6 h SER 136 Ca 0.20 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1hl6 h SER 136 Cb -0.07 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1hl6 h SER 136 CO -0.04 0.52 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.59 1hl6 h LEU 137 N -0.58 -1.40 -0.23 5.07 3.38 -0.35 -1.59 115.31 119.62 1hl6 h LEU 137 Ca -0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1hl6 h LEU 137 Cb 0.55 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1hl6 h LEU 137 CO 0.00 -0.68 -0.03 0.40 0.09 0.00 0.00 178.44 178.23 1hl6 h ILE 138 N -1.03 1.27 -0.63 1.22 1.08 -1.02 -1.86 117.51 116.54 1hl6 h ILE 138 Ca -0.07 -0.98 0.10 0.00 -0.39 0.00 0.00 64.86 63.53 1hl6 h ILE 138 Cb 0.89 1.46 -0.08 0.00 -3.07 0.00 0.00 36.82 36.02 1hl6 h ILE 138 CO -0.06 0.30 0.22 1.23 -0.69 0.00 0.00 178.15 179.16 1hl6 h GLY 139 N 0.17 0.88 1.55 5.37 0.00 -0.53 -0.70 103.07 109.82 1hl6 h GLY 139 Ca 0.06 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1hl6 h GLY 139 CO 0.02 -0.05 -1.20 1.41 0.00 0.00 0.00 176.54 176.72 1hl6 h LEU 140 N 0.39 0.00 0.09 3.11 4.07 -1.30 0.78 115.31 122.45 1hl6 h LEU 140 Ca 0.32 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 58.01 1hl6 h LEU 140 Cb 0.43 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.20 1hl6 h LEU 140 CO -0.34 0.87 -1.12 -0.74 -1.08 0.00 0.00 178.44 176.04 1hl6 h HIS 141 N 0.00 0.95 0.00 1.13 2.76 -0.99 -3.39 115.15 115.61 1hl6 h HIS 141 Ca -0.11 -0.58 -0.20 0.00 -2.20 0.00 0.00 60.37 57.27 1hl6 h HIS 141 Cb 1.76 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.60 1hl6 h HIS 141 CO 0.00 1.42 -1.84 1.19 -1.30 0.00 0.00 177.93 177.40 1hl6 n PHE 142 N -3.87 0.00 -3.04 5.26 3.72 -0.30 -5.02 117.46 114.20 1hl6 n PHE 142 Ca -0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.14 1hl6 n PHE 142 Cb 0.93 -0.59 0.05 0.00 -0.94 0.00 0.00 39.48 38.93 1hl6 n PHE 142 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1hl6 n LYS 143 N -2.41 -4.37 -1.97 -1.08 4.81 0.27 -4.99 118.16 108.42 1hl6 n LYS 143 Ca -0.18 0.48 -0.35 0.00 -0.87 0.00 0.00 58.31 57.39 1hl6 n LYS 143 Cb 0.85 -4.45 0.03 0.00 0.02 0.00 0.00 35.03 31.48 1hl6 n LYS 143 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1hl6 s ILE 144 N -3.19 2.86 -0.14 3.15 -4.36 -1.26 -5.06 121.20 113.20 1hl6 s ILE 144 Ca 0.24 0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 61.00 1hl6 s ILE 144 Cb -0.10 -3.14 0.04 0.00 1.25 0.00 0.00 42.46 40.51 1hl6 s ILE 144 CO 0.42 -0.15 0.38 -0.54 0.24 0.00 0.00 174.94 175.28 1hl6 s LYS 145 N -3.52 0.44 0.75 0.37 1.02 -1.26 -4.61 119.74 112.92 1hl6 s LYS 145 Ca 0.74 0.53 -0.08 0.00 0.02 0.00 0.00 55.97 57.18 1hl6 s LYS 145 Cb -0.26 0.20 0.16 0.00 -0.52 0.00 0.00 37.83 37.41 1hl6 s LYS 145 CO 0.34 -0.06 1.02 -0.35 -0.92 0.00 0.00 175.35 175.39 1hl6 n PRO 146 N 2.94 -0.64 -4.14 -1.68 -0.04 -1.26 -4.76 135.00 125.42 1hl6 n PRO 146 Ca -0.14 -2.02 -0.17 0.00 -0.04 0.00 0.00 63.50 61.13 1hl6 n PRO 146 Cb 0.57 -0.91 -0.15 0.00 -0.04 0.00 0.00 33.50 32.97 1hl6 n PRO 146 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1hl6 s ILE 147 N -3.12 0.43 0.59 0.52 1.01 -1.26 -5.11 121.20 114.25 1hl6 s ILE 147 Ca 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 1hl6 s ILE 147 Cb -0.02 -0.42 0.03 0.00 0.01 0.00 0.00 42.46 42.06 1hl6 s ILE 147 CO 0.42 0.16 0.86 -2.16 0.00 0.00 0.00 174.94 174.22 1hl6 s PRO 148 N 0.35 2.66 0.00 2.79 0.04 -1.26 -5.24 135.00 134.34 1hl6 s PRO 148 Ca -0.04 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1hl6 s PRO 148 Cb -0.08 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1hl6 s PRO 148 CO -0.00 -0.77 0.00 -2.13 0.04 0.00 0.00 177.00 174.14