#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxy n ARG 4 N 0.00 0.69 -2.41 -2.82 3.00 -1.26 -4.96 116.66 108.90 1hxy n ARG 4 Ca 0.00 0.28 -0.38 0.00 -0.01 0.00 0.00 57.85 57.74 1hxy n ARG 4 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 32.46 30.38 1hxy n ARG 4 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1hxy s PRO 5 N -2.72 4.14 0.18 5.56 0.02 -1.26 -5.04 135.00 135.89 1hxy s PRO 5 Ca 0.74 1.69 0.06 0.00 0.02 0.00 0.00 61.00 63.52 1hxy s PRO 5 Cb -0.40 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 1hxy s PRO 5 CO 0.50 -0.21 0.08 1.03 -0.33 0.00 0.00 177.00 178.07 1hxy s ARG 6 N -2.32 2.66 -0.04 5.54 1.81 -1.26 -5.11 118.95 120.23 1hxy s ARG 6 Ca 0.56 -1.02 0.01 0.00 -1.72 0.00 0.00 55.73 53.56 1hxy s ARG 6 Cb -0.27 -2.49 0.02 0.00 -0.45 0.00 0.00 34.95 31.76 1hxy s ARG 6 CO 0.34 0.46 -0.04 -0.06 -0.68 0.00 0.00 175.30 175.32 1hxy s PHE 7 N -1.82 0.71 -0.02 -0.53 0.08 -1.26 -5.09 117.98 110.05 1hxy s PHE 7 Ca 0.30 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1hxy s PHE 7 Cb -0.09 -0.65 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1hxy s PHE 7 CO 0.21 -0.19 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.79 1hxy s LEU 8 N 0.98 2.02 -0.09 -0.37 2.96 -1.26 -5.01 118.68 117.91 1hxy s LEU 8 Ca -0.10 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1hxy s LEU 8 Cb -0.14 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.60 1hxy s LEU 8 CO -0.00 0.22 -0.14 0.86 -1.32 0.00 0.00 176.35 175.96 1hxy s TRP 9 N -0.36 1.77 0.02 5.38 -0.11 -1.26 0.44 118.94 124.82 1hxy s TRP 9 Ca 0.05 -0.76 0.06 0.00 1.22 0.00 0.00 56.10 56.67 1hxy s TRP 9 Cb -0.08 -1.29 -0.02 0.00 -1.50 0.00 0.00 33.47 30.58 1hxy s TRP 9 CO -0.00 -0.40 -0.19 -0.65 -4.62 0.00 0.00 176.95 171.09 1hxy s GLN 10 N 0.87 1.37 -0.06 5.86 -0.21 0.76 -5.00 119.66 123.25 1hxy s GLN 10 Ca -0.10 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.49 1hxy s GLN 10 Cb -0.15 -1.41 0.02 0.00 1.00 0.00 0.00 33.01 32.47 1hxy s GLN 10 CO 0.01 0.37 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.32 1hxy s LEU 11 N -0.88 1.29 -0.05 2.90 2.96 -1.26 -0.99 118.68 122.66 1hxy s LEU 11 Ca 0.07 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1hxy s LEU 11 Cb -0.08 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1hxy s LEU 11 CO 0.01 -0.06 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.36 1hxy s LYS 12 N 1.07 1.14 -0.26 1.98 1.02 -0.58 -5.00 119.74 119.09 1hxy s LYS 12 Ca -0.08 -0.25 -0.00 0.00 0.02 0.00 0.00 55.97 55.66 1hxy s LYS 12 Cb -0.14 -1.03 0.04 0.00 -0.52 0.00 0.00 37.83 36.18 1hxy s LYS 12 CO -0.01 -0.01 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.30 1hxy s PHE 13 N 0.68 3.16 -0.21 3.18 0.40 -1.26 -0.32 117.98 123.62 1hxy s PHE 13 Ca -0.11 -1.86 -0.05 0.00 -0.60 0.00 0.00 56.93 54.31 1hxy s PHE 13 Cb -0.14 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1hxy s PHE 13 CO 0.01 -0.80 -0.00 -1.21 0.70 0.00 0.00 175.22 173.93 1hxy s GLU 14 N 1.24 3.58 -0.35 0.44 2.02 -0.02 -4.96 118.70 120.65 1hxy s GLU 14 Ca -0.04 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 1hxy s GLU 14 Cb -0.18 -3.09 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1hxy s GLU 14 CO -0.04 -0.04 0.16 0.00 0.02 0.00 0.00 175.26 175.36 1hxy s HIS 16 N 1.50 3.35 -0.13 0.00 3.76 0.06 -4.96 115.29 118.85 1hxy s HIS 16 Ca 0.01 0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 55.31 1hxy s HIS 16 Cb -0.19 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 1hxy s HIS 16 CO 0.05 0.04 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.83 1hxy s PHE 17 N 1.15 2.91 -0.10 1.40 0.08 -1.26 -1.41 117.98 120.75 1hxy s PHE 17 Ca 0.13 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.78 1hxy s PHE 17 Cb -0.14 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1hxy s PHE 17 CO 0.06 -0.08 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.84 1hxy s PHE 18 N 0.24 2.18 -0.76 0.36 0.40 0.60 -4.82 117.98 116.18 1hxy s PHE 18 Ca -0.06 -0.93 -0.00 0.00 -0.60 0.00 0.00 56.93 55.34 1hxy s PHE 18 Cb -0.15 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 1hxy s PHE 18 CO 0.04 -0.42 0.69 -1.71 0.70 0.00 0.00 175.22 174.52 1hxy n ASN 19 N 3.79 -7.25 0.00 1.36 5.15 -1.26 -1.85 115.26 115.21 1hxy n ASN 19 Ca -0.20 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 1hxy n ASN 19 Cb 0.52 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1hxy n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hxy n GLY 20 N -1.74 1.48 0.21 8.20 0.00 -1.26 -2.21 105.19 109.86 1hxy n GLY 20 Ca -0.06 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1hxy n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hxy n THR 21 N 0.00 0.42 -0.08 2.61 5.66 -1.26 -4.85 114.28 116.78 1hxy n THR 21 Ca 0.00 -0.48 -0.11 0.00 -3.05 0.00 0.00 64.05 60.41 1hxy n THR 21 Cb 0.00 0.55 -0.04 0.00 -1.55 0.00 0.00 70.33 69.29 1hxy n THR 21 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1hxy h GLU 22 N 0.00 0.40 -5.14 1.09 5.08 -1.44 -3.41 114.58 111.17 1hxy h GLU 22 Ca 0.00 -0.11 -0.66 0.00 -1.00 0.00 0.00 59.36 57.59 1hxy h GLU 22 Cb 1.09 -0.05 -0.29 0.00 0.50 0.00 0.00 28.75 30.00 1hxy h GLU 22 CO 0.00 0.53 -0.78 1.03 -1.00 0.00 0.00 179.01 178.79 1hxy s ARG 23 N -5.19 3.27 -0.06 2.33 0.52 -0.77 -5.01 118.95 114.04 1hxy s ARG 23 Ca -0.14 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 1hxy s ARG 23 Cb 0.07 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.82 1hxy s ARG 23 CO 0.73 -0.04 -0.12 0.08 0.02 0.00 0.00 175.30 175.97 1hxy s VAL 24 N 1.00 1.10 -0.11 3.52 1.01 -1.26 -0.29 120.40 125.36 1hxy s VAL 24 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1hxy s VAL 24 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1hxy s VAL 24 CO -0.02 0.35 -0.14 -0.60 0.00 0.00 0.00 175.10 174.69 1hxy s ARG 25 N 0.69 2.04 -0.21 2.72 3.52 -0.50 -4.99 118.95 122.23 1hxy s ARG 25 Ca -0.14 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 54.89 1hxy s ARG 25 Cb -0.16 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.41 1hxy s ARG 25 CO 0.03 -0.09 0.08 -1.17 -0.81 0.00 0.00 175.30 173.34 1hxy s LEU 26 N 1.08 3.74 -0.22 -0.88 2.96 -1.26 -0.76 118.68 123.33 1hxy s LEU 26 Ca -0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1hxy s LEU 26 Cb -0.15 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1hxy s LEU 26 CO -0.02 0.09 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.77 1hxy s LEU 27 N 0.87 2.73 -0.34 -0.68 2.96 -0.05 -0.93 118.68 123.24 1hxy s LEU 27 Ca 0.04 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.73 1hxy s LEU 27 Cb -0.14 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 1hxy s LEU 27 CO 0.03 -0.16 0.25 -0.70 -1.32 0.00 0.00 176.35 174.44 1hxy s GLU 28 N 1.28 3.47 -0.05 1.98 2.12 0.28 -0.84 118.70 126.95 1hxy s GLU 28 Ca -0.04 -0.66 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1hxy s GLU 28 Cb -0.18 -3.82 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1hxy s GLU 28 CO -0.07 -0.46 -0.18 1.03 -0.54 0.00 0.00 175.26 175.04 1hxy s ARG 29 N 1.73 2.46 -0.17 4.30 0.52 0.56 -0.27 118.95 128.08 1hxy s ARG 29 Ca 0.06 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1hxy s ARG 29 Cb -0.17 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 1hxy s ARG 29 CO 0.11 0.56 -0.11 0.00 0.02 0.00 0.00 175.30 175.88 1hxy s ILE 31 N 0.96 1.53 -0.22 0.00 1.09 -0.16 -0.21 121.20 124.19 1hxy s ILE 31 Ca -0.02 -0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 58.79 1hxy s ILE 31 Cb -0.15 -1.43 -0.05 0.00 -1.06 0.00 0.00 42.46 39.77 1hxy s ILE 31 CO -0.01 0.45 0.22 -0.47 -0.10 0.00 0.00 174.94 175.03 1hxy s TYR 32 N 1.37 3.35 0.00 3.97 5.04 -0.84 -0.17 117.35 130.06 1hxy s TYR 32 Ca 0.02 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1hxy s TYR 32 Cb -0.13 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.86 1hxy s TYR 32 CO -0.08 0.09 0.00 0.09 -1.34 0.00 0.00 175.55 174.30 1hxy n ASN 33 N 4.20 0.00 -0.21 4.32 3.02 0.17 0.01 115.26 126.76 1hxy n ASN 33 Ca -0.13 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.46 1hxy n ASN 33 Cb 0.52 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1hxy n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1hxy n GLN 34 N 0.00 0.88 -3.99 3.52 7.27 -1.26 -4.89 117.38 118.91 1hxy n GLN 34 Ca 0.00 -1.71 -0.33 0.00 0.07 0.00 0.00 57.00 55.03 1hxy n GLN 34 Cb 0.00 -1.00 -0.14 0.00 2.41 0.00 0.00 30.24 31.51 1hxy n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1hxy s GLU 35 N -1.38 1.97 0.23 3.69 2.12 0.10 -5.08 118.70 120.35 1hxy s GLU 35 Ca 0.14 -1.58 -0.32 0.00 0.36 0.00 0.00 54.97 53.57 1hxy s GLU 35 Cb 0.12 -3.14 -0.13 0.00 0.26 0.00 0.00 34.13 31.25 1hxy s GLU 35 CO 0.01 -0.77 1.51 -1.91 -0.54 0.00 0.00 175.26 173.56 1hxy n GLU 36 N 4.42 2.26 -0.02 4.30 2.13 -1.26 -1.99 120.64 130.48 1hxy n GLU 36 Ca -0.06 0.81 -0.01 0.00 0.66 0.00 0.00 57.16 58.56 1hxy n GLU 36 Cb 0.42 -2.53 -0.04 0.00 0.27 0.00 0.00 31.44 29.56 1hxy n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1hxy n SER 37 N 2.57 3.66 -3.47 4.31 3.41 0.71 -4.35 113.62 120.46 1hxy n SER 37 Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1hxy n SER 37 Cb 0.32 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.03 1hxy n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hxy s VAL 38 N -2.20 0.01 0.12 -3.33 0.11 -1.24 -0.72 120.40 113.15 1hxy s VAL 38 Ca -0.03 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.73 1hxy s VAL 38 Cb 0.02 -1.01 0.08 0.00 -1.53 0.00 0.00 36.38 33.94 1hxy s VAL 38 CO 0.23 -0.03 0.65 0.00 -3.33 0.00 0.00 175.10 172.62 1hxy s ARG 39 N -3.08 1.19 -0.20 1.54 1.70 -0.56 -1.35 118.95 118.20 1hxy s ARG 39 Ca -0.02 -0.38 -0.02 0.00 -0.47 0.00 0.00 55.73 54.84 1hxy s ARG 39 Cb -0.01 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1hxy s ARG 39 CO -0.07 -0.51 -0.12 0.12 -1.08 0.00 0.00 175.30 173.65 1hxy s PHE 40 N -3.42 2.87 -0.23 5.89 5.36 0.63 -1.36 117.98 127.73 1hxy s PHE 40 Ca 0.00 -1.23 -0.04 0.00 -0.96 0.00 0.00 56.93 54.71 1hxy s PHE 40 Cb -0.01 -2.01 -0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1hxy s PHE 40 CO -0.10 -0.64 -0.04 0.34 -1.46 0.00 0.00 175.22 173.31 1hxy s ASP 41 N 1.33 4.31 0.53 6.13 -1.08 -1.26 -0.56 116.67 126.08 1hxy s ASP 41 Ca 0.04 -0.45 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 1hxy s ASP 41 Cb -0.14 -1.73 1.38 0.00 -1.46 0.00 0.00 42.92 40.96 1hxy s ASP 41 CO -0.07 -0.04 2.02 0.77 0.52 0.00 0.00 175.17 178.38 1hxy h SER 42 N 8.11 0.00 0.86 -0.34 4.64 -1.41 0.19 113.55 125.60 1hxy h SER 42 Ca -0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1hxy h SER 42 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1hxy h SER 42 CO 0.60 0.00 -0.12 0.44 -0.87 0.00 0.00 176.83 176.89 1hxy h ASP 43 N 0.00 0.00 0.35 4.97 3.32 -1.94 -2.90 116.42 120.22 1hxy h ASP 43 Ca 0.21 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.93 1hxy h ASP 43 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1hxy h ASP 43 CO -0.00 0.12 -1.80 0.58 -1.72 0.00 0.00 179.24 176.42 1hxy h VAL 44 N 0.00 0.80 0.00 -1.35 2.07 -1.08 -3.48 116.25 113.20 1hxy h VAL 44 Ca -0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1hxy h VAL 44 Cb 0.58 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1hxy h VAL 44 CO 0.02 0.69 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1hxy n GLY 45 N 1.74 1.07 3.47 2.17 0.00 -0.53 -5.01 105.19 108.10 1hxy n GLY 45 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1hxy n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hxy s GLU 46 N -0.55 1.18 0.65 1.61 -1.05 -1.26 -4.93 118.70 114.35 1hxy s GLU 46 Ca 0.00 -0.45 -0.17 0.00 -0.15 0.00 0.00 54.97 54.19 1hxy s GLU 46 Cb 0.00 0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 1hxy s GLU 46 CO 0.00 -0.52 1.21 0.71 0.95 0.00 0.00 175.26 177.61 1hxy s TYR 47 N -3.59 2.26 -0.09 4.83 1.51 -1.26 -4.30 117.35 116.72 1hxy s TYR 47 Ca 0.03 1.54 -0.06 0.00 -1.01 0.00 0.00 57.07 57.57 1hxy s TYR 47 Cb -0.01 -3.49 0.03 0.00 -0.11 0.00 0.00 41.96 38.39 1hxy s TYR 47 CO -0.11 -2.40 0.21 1.03 -1.11 0.00 0.00 175.55 173.18 1hxy s ARG 48 N -3.57 0.20 0.19 -0.62 1.81 -0.46 -4.92 118.95 111.57 1hxy s ARG 48 Ca 0.76 0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 54.87 1hxy s ARG 48 Cb -0.30 -0.03 -0.08 0.00 -0.45 0.00 0.00 34.95 34.09 1hxy s ARG 48 CO 0.38 -0.11 0.95 0.00 -0.68 0.00 0.00 175.30 175.85 1hxy s ALA 49 N 0.75 3.30 -0.86 2.13 0.00 -1.26 -1.49 121.76 124.33 1hxy s ALA 49 Ca -0.05 0.60 0.22 0.00 0.00 0.00 0.00 51.96 52.73 1hxy s ALA 49 Cb -0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1hxy s ALA 49 CO -0.04 0.11 0.98 1.33 0.00 0.00 0.00 175.76 178.13 1hxy n VAL 50 N 2.03 0.03 -3.95 0.00 0.24 0.10 -4.91 118.33 111.87 1hxy n VAL 50 Ca -0.00 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1hxy n VAL 50 Cb 0.48 0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 33.43 1hxy n VAL 50 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1hxy s THR 51 N -3.07 0.11 0.55 3.34 -4.23 -1.09 -4.93 115.64 106.31 1hxy s THR 51 Ca 0.07 -1.40 0.23 0.00 -1.18 0.00 0.00 61.69 59.41 1hxy s THR 51 Cb 0.16 -1.67 0.34 0.00 1.34 0.00 0.00 72.50 72.67 1hxy s THR 51 CO 0.83 -0.48 2.10 -0.33 -0.54 0.00 0.00 174.62 176.20 1hxy h GLU 52 N 2.69 0.00 -0.20 3.99 4.39 -1.92 -2.08 114.58 121.46 1hxy h GLU 52 Ca -0.33 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 1hxy h GLU 52 Cb 1.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1hxy h GLU 52 CO 0.53 0.00 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.31 1hxy h LEU 53 N 0.00 0.26 0.00 1.33 3.38 -1.96 -2.64 115.31 115.68 1hxy h LEU 53 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1hxy h LEU 53 Cb 0.43 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1hxy h LEU 53 CO -0.00 0.32 -0.34 1.23 0.09 0.00 0.00 178.44 179.74 1hxy h GLY 54 N 0.57 0.00 -0.60 0.83 0.00 -1.32 -3.37 103.07 99.18 1hxy h GLY 54 Ca 0.07 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.68 1hxy h GLY 54 CO 0.00 0.00 0.35 -0.09 0.00 0.00 0.00 176.54 176.80 1hxy h ARG 55 N 0.00 0.19 -0.28 4.80 2.43 -1.48 0.34 114.38 120.38 1hxy h ARG 55 Ca 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1hxy h ARG 55 Cb 0.82 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1hxy h ARG 55 CO 0.00 0.12 -0.19 -1.35 -1.51 0.00 0.00 179.97 177.04 1hxy h PRO 56 N 0.19 0.51 0.05 0.20 0.11 -1.78 -3.02 132.00 128.27 1hxy h PRO 56 Ca 0.65 -0.17 -0.23 0.00 0.11 0.00 0.00 66.00 66.36 1hxy h PRO 56 Cb 1.44 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 1hxy h PRO 56 CO -0.69 0.68 -1.03 -0.44 -0.21 0.00 0.00 178.00 176.31 1hxy h ASP 57 N 0.46 0.30 -0.43 -2.05 3.32 -0.65 -2.70 116.42 114.68 1hxy h ASP 57 Ca 0.08 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 1hxy h ASP 57 Cb 0.60 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1hxy h ASP 57 CO 0.04 1.15 -0.24 0.00 -1.72 0.00 0.00 179.24 178.48 1hxy h ALA 58 N 0.82 0.60 0.01 3.45 0.00 -1.05 -1.66 119.26 121.43 1hxy h ALA 58 Ca -0.07 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1hxy h ALA 58 Cb 1.72 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1hxy h ALA 58 CO 0.16 0.60 -0.96 1.05 0.00 0.00 0.00 179.25 180.10 1hxy h GLU 59 N 0.74 0.03 -0.22 0.00 4.11 -1.61 -0.18 114.58 117.45 1hxy h GLU 59 Ca 0.09 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.31 1hxy h GLU 59 Cb 0.81 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1hxy h GLU 59 CO 0.07 0.96 -0.56 -0.92 0.07 0.00 0.00 179.01 178.63 1hxy h TYR 60 N 0.01 0.84 0.11 2.06 3.20 -1.48 -2.99 116.97 118.72 1hxy h TYR 60 Ca -0.02 -0.30 -0.29 0.00 3.14 0.00 0.00 58.73 61.26 1hxy h TYR 60 Cb 1.68 -0.16 0.03 0.00 1.54 0.00 0.00 36.73 39.82 1hxy h TYR 60 CO 0.01 1.07 -1.21 -1.49 -1.64 0.00 0.00 178.16 174.90 1hxy h TRP 61 N 0.51 1.01 0.00 -3.82 6.55 -1.29 -3.22 115.95 115.68 1hxy h TRP 61 Ca 0.01 -0.63 0.00 0.00 0.95 0.00 0.00 58.89 59.22 1hxy h TRP 61 Cb 1.13 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1hxy h TRP 61 CO 0.06 1.47 0.00 -0.91 -1.05 0.00 0.00 178.44 178.00 1hxy h ASN 62 N 0.26 0.00 0.35 -3.49 2.35 -1.06 -2.07 115.58 111.92 1hxy h ASN 62 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1hxy h ASN 62 Cb 1.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1hxy h ASN 62 CO 0.23 0.00 -0.11 -1.54 -1.65 0.00 0.00 177.43 174.36 1hxy n SER 63 N -2.73 0.50 -4.26 5.81 3.41 -1.13 -4.52 113.62 110.71 1hxy n SER 63 Ca -0.01 -0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 1hxy n SER 63 Cb 0.13 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1hxy n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hxy s GLN 64 N -2.47 3.65 0.15 4.33 -0.21 -0.78 -4.96 119.66 119.37 1hxy s GLN 64 Ca 0.29 -2.97 -0.17 0.00 0.02 0.00 0.00 55.36 52.53 1hxy s GLN 64 Cb 0.20 -4.29 0.07 0.00 1.00 0.00 0.00 33.01 29.99 1hxy s GLN 64 CO 0.48 -1.25 1.13 1.17 -2.12 0.00 0.00 175.29 174.70 1hxy n LYS 65 N 3.02 -0.24 0.23 2.91 4.81 -1.26 0.32 118.16 127.95 1hxy n LYS 65 Ca 0.19 1.12 0.12 0.00 -0.87 0.00 0.00 58.31 58.87 1hxy n LYS 65 Cb 0.41 -1.65 0.73 0.00 0.02 0.00 0.00 35.03 34.53 1hxy n LYS 65 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1hxy h ASP 66 N 0.00 0.00 -0.08 3.14 3.32 -1.96 0.53 116.42 121.37 1hxy h ASP 66 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1hxy h ASP 66 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1hxy h ASP 66 CO -0.71 0.00 -0.07 0.25 -1.72 0.00 0.00 179.24 176.99 1hxy h LEU 67 N 0.00 0.20 -0.72 1.55 6.46 -0.48 -2.46 115.31 119.87 1hxy h LEU 67 Ca 0.04 -0.48 -0.12 0.00 -0.12 0.00 0.00 57.88 57.20 1hxy h LEU 67 Cb 0.17 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1hxy h LEU 67 CO -0.00 0.64 -0.34 -0.07 -0.62 0.00 0.00 178.44 178.05 1hxy h LEU 68 N -0.24 0.63 -0.70 2.25 3.38 -1.03 0.02 115.31 119.63 1hxy h LEU 68 Ca 0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1hxy h LEU 68 Cb 0.58 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1hxy h LEU 68 CO 0.02 0.92 0.45 -0.33 0.09 0.00 0.00 178.44 179.59 1hxy h GLU 69 N 0.51 0.89 -0.13 1.13 4.39 -0.95 0.43 114.58 120.85 1hxy h GLU 69 Ca 0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1hxy h GLU 69 Cb 0.83 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1hxy h GLU 69 CO 0.07 0.59 0.02 0.37 -1.16 0.00 0.00 179.01 178.90 1hxy h GLN 70 N 0.91 0.21 -0.28 2.33 -0.00 -1.08 -1.67 115.11 115.53 1hxy h GLN 70 Ca 0.27 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.82 1hxy h GLN 70 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.38 1hxy h GLN 70 CO -0.08 0.39 -0.03 0.00 0.00 0.00 0.00 178.83 179.12 1hxy h ARG 71 N -0.01 0.43 -0.40 1.69 2.47 -0.72 -1.27 114.38 116.57 1hxy h ARG 71 Ca 0.04 -0.09 -0.16 0.00 -1.26 0.00 0.00 59.98 58.51 1hxy h ARG 71 Cb 0.28 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1hxy h ARG 71 CO 0.00 0.48 -0.37 0.00 0.56 0.00 0.00 179.97 180.64 1hxy h ARG 72 N 0.41 0.95 0.00 0.04 3.08 -0.76 -2.91 114.38 115.19 1hxy h ARG 72 Ca 0.09 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1hxy h ARG 72 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1hxy h ARG 72 CO 0.01 1.15 0.00 0.00 -1.07 0.00 0.00 179.97 180.06 1hxy n ALA 73 N -2.54 2.26 -0.14 0.04 0.00 -0.64 -3.64 120.51 115.84 1hxy n ALA 73 Ca -0.02 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1hxy n ALA 73 Cb 0.54 -1.45 0.48 0.00 0.00 0.00 0.00 19.45 19.01 1hxy n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hxy h ALA 74 N 2.85 2.00 -1.07 0.00 0.00 -1.02 -0.65 119.26 121.37 1hxy h ALA 74 Ca 0.00 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1hxy h ALA 74 Cb 0.53 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1hxy h ALA 74 CO 0.00 -0.17 0.67 0.28 0.00 0.00 0.00 179.25 180.03 1hxy h VAL 75 N 0.47 0.44 0.00 0.00 2.07 -1.74 0.39 116.25 117.88 1hxy h VAL 75 Ca 0.33 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 1hxy h VAL 75 Cb 0.63 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1hxy h VAL 75 CO -0.10 0.07 -0.90 0.47 0.02 0.00 0.00 177.57 177.12 1hxy n ASP 76 N -4.73 1.86 0.21 0.57 9.92 -0.31 -1.72 116.55 122.36 1hxy n ASP 76 Ca 0.28 0.50 0.06 0.00 -0.53 0.00 0.00 54.79 55.11 1hxy n ASP 76 Cb 0.95 -0.85 0.55 0.00 -0.64 0.00 0.00 41.12 41.13 1hxy n ASP 76 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1hxy h THR 77 N -1.00 1.07 0.00 -3.53 1.35 -1.33 -2.50 112.91 106.97 1hxy h THR 77 Ca -0.10 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1hxy h THR 77 Cb 0.83 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1hxy h THR 77 CO -0.06 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1hxy n TYR 78 N -4.43 0.00 0.21 4.73 9.36 0.13 -4.35 117.16 122.81 1hxy n TYR 78 Ca -0.02 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.05 1hxy n TYR 78 Cb 0.16 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.79 1hxy n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hxy h ARG 80 N -0.79 0.56 0.35 0.00 3.08 -1.33 -1.25 114.38 115.00 1hxy h ARG 80 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1hxy h ARG 80 Cb 0.71 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1hxy h ARG 80 CO -0.10 0.37 -0.32 1.25 -1.07 0.00 0.00 179.97 180.10 1hxy h HIS 81 N 0.58 -0.85 0.00 3.04 2.76 -1.31 -1.97 115.15 117.40 1hxy h HIS 81 Ca 0.20 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1hxy h HIS 81 Cb 0.03 0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1hxy h HIS 81 CO -0.07 -0.46 -0.03 -0.91 -1.30 0.00 0.00 177.93 175.16 1hxy h ASN 82 N -0.69 0.00 -0.15 3.26 2.35 -0.79 -1.95 115.58 117.61 1hxy h ASN 82 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1hxy h ASN 82 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1hxy h ASN 82 CO -0.04 0.03 0.04 0.22 -1.65 0.00 0.00 177.43 176.03 1hxy h TYR 83 N 0.00 0.24 0.00 1.19 5.03 -0.51 -2.71 116.97 120.21 1hxy h TYR 83 Ca -0.00 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 1hxy h TYR 83 Cb 0.07 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1hxy h TYR 83 CO 0.00 0.37 -0.25 0.78 -1.32 0.00 0.00 178.16 177.73 1hxy h GLY 84 N 0.04 0.00 0.91 1.82 0.00 -0.80 -1.88 103.07 103.16 1hxy h GLY 84 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1hxy h GLY 84 CO -0.00 0.00 0.11 -2.08 0.00 0.00 0.00 176.54 174.57 1hxy h VAL 85 N 0.00 1.19 -0.02 4.60 2.07 -1.07 -3.31 116.25 119.71 1hxy h VAL 85 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1hxy h VAL 85 Cb 0.52 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1hxy h VAL 85 CO 0.03 0.20 -0.19 0.61 0.02 0.00 0.00 177.57 178.25 1hxy n GLY 86 N -0.69 0.13 0.33 2.17 0.00 -1.13 -4.67 105.19 101.32 1hxy n GLY 86 Ca -0.02 -0.49 0.23 0.00 0.00 0.00 0.00 46.02 45.74 1hxy n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hxy n GLU 87 N 0.39 -0.07 0.12 1.61 2.13 -0.71 -0.81 120.64 123.30 1hxy n GLU 87 Ca 0.08 1.41 0.05 0.00 0.66 0.00 0.00 57.16 59.37 1hxy n GLU 87 Cb 0.39 -2.38 0.51 0.00 0.27 0.00 0.00 31.44 30.23 1hxy n GLU 87 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1hxy h SER 88 N 0.00 0.25 -0.12 4.31 4.64 -1.83 -1.41 113.55 119.39 1hxy h SER 88 Ca 0.71 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1hxy h SER 88 Cb 1.69 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1hxy h SER 88 CO -0.84 0.21 0.00 2.22 -0.87 0.00 0.00 176.83 177.55 1hxy n PHE 89 N -4.48 0.15 0.01 4.77 1.16 0.01 -4.20 117.46 114.89 1hxy n PHE 89 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 1hxy n PHE 89 Cb 0.10 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 1hxy n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1hxy n THR 90 N 0.17 0.16 -0.08 1.97 -2.24 -0.80 -4.38 114.28 109.09 1hxy n THR 90 Ca 0.05 0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1hxy n THR 90 Cb 0.27 -1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 1hxy n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1hxy h VAL 91 N 0.00 1.08 -0.00 2.28 2.07 -1.71 -2.76 116.25 117.20 1hxy h VAL 91 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1hxy h VAL 91 Cb 0.00 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1hxy h VAL 91 CO 0.00 0.08 -0.13 0.00 0.02 0.00 0.00 177.57 177.54 1hxy n GLN 92 N -4.88 0.39 -1.69 1.57 6.02 -0.55 -4.89 117.38 113.35 1hxy n GLN 92 Ca -0.01 -0.11 -0.45 0.00 -0.01 0.00 0.00 57.00 56.42 1hxy n GLN 92 Cb 0.03 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.75 1hxy n GLN 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1hxy n ARG 93 N -1.21 2.40 -3.67 -1.09 0.63 -1.04 -4.95 116.66 107.73 1hxy n ARG 93 Ca 0.11 0.87 -0.20 0.00 -0.92 0.00 0.00 57.85 57.71 1hxy n ARG 93 Cb 0.30 -2.67 -0.18 0.00 0.45 0.00 0.00 32.46 30.35 1hxy n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1hxy s ARG 94 N 1.25 -0.07 -0.11 -0.14 3.00 -1.26 -4.11 118.95 117.50 1hxy s ARG 94 Ca 0.78 0.38 -0.00 0.00 0.00 0.00 0.00 55.73 56.89 1hxy s ARG 94 Cb -0.61 -0.51 0.02 0.00 0.00 0.00 0.00 34.95 33.85 1hxy s ARG 94 CO 0.36 -0.33 -0.07 0.08 0.00 0.00 0.00 175.30 175.34 1hxy s VAL 95 N 2.18 0.99 0.27 3.52 1.01 -0.05 -4.95 120.40 123.38 1hxy s VAL 95 Ca 0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1hxy s VAL 95 Cb -0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 36.38 35.14 1hxy s VAL 95 CO -0.03 0.36 1.47 -1.61 0.00 0.00 0.00 175.10 175.29 1hxy s GLU 96 N 1.68 4.23 0.51 2.72 2.02 -1.26 -1.60 118.70 127.01 1hxy s GLU 96 Ca 0.04 2.38 -0.18 0.00 0.02 0.00 0.00 54.97 57.23 1hxy s GLU 96 Cb -0.13 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 1hxy s GLU 96 CO -0.08 -0.46 1.00 -1.25 0.02 0.00 0.00 175.26 174.50 1hxy s PRO 97 N -0.64 3.83 -0.32 0.39 0.04 -1.26 -4.42 135.00 132.62 1hxy s PRO 97 Ca 0.59 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1hxy s PRO 97 Cb -0.43 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1hxy s PRO 97 CO 0.47 -0.38 0.19 0.21 0.04 0.00 0.00 177.00 177.52 1hxy s LYS 98 N -3.75 3.47 -0.19 4.56 2.36 0.40 -4.87 119.74 121.71 1hxy s LYS 98 Ca 0.62 -0.64 -0.07 0.00 -2.55 0.00 0.00 55.97 53.33 1hxy s LYS 98 Cb -0.12 -3.66 -0.04 0.00 -1.05 0.00 0.00 37.83 32.96 1hxy s LYS 98 CO 0.27 -0.40 0.06 0.08 1.55 0.00 0.00 175.35 176.91 1hxy s VAL 99 N 1.67 4.63 0.05 4.02 1.01 -1.25 -1.78 120.40 128.76 1hxy s VAL 99 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1hxy s VAL 99 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1hxy s VAL 99 CO 0.08 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.60 1hxy s THR 100 N 0.59 1.04 -0.05 3.92 2.01 0.49 -4.97 115.64 118.67 1hxy s THR 100 Ca 0.03 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1hxy s THR 100 Cb -0.13 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1hxy s THR 100 CO 0.01 -0.14 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.04 1hxy s VAL 101 N -1.08 0.75 0.03 3.82 1.01 -1.26 -0.06 120.40 123.61 1hxy s VAL 101 Ca -0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1hxy s VAL 101 Cb -0.09 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.62 1hxy s VAL 101 CO 0.02 0.27 0.58 -0.72 0.00 0.00 0.00 175.10 175.25 1hxy s TYR 102 N 0.85 -0.51 1.44 5.22 -0.85 -0.33 -4.97 117.35 118.19 1hxy s TYR 102 Ca -0.12 0.67 -0.23 0.00 -0.52 0.00 0.00 57.07 56.86 1hxy s TYR 102 Cb -0.15 0.39 0.37 0.00 0.38 0.00 0.00 41.96 42.95 1hxy s TYR 102 CO 0.01 -0.65 0.84 -2.30 -1.52 0.00 0.00 175.55 171.93 1hxy n PRO 103 N 0.49 -4.66 0.00 -3.49 -0.02 -1.26 0.04 135.00 126.10 1hxy n PRO 103 Ca -0.18 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 59.91 1hxy n PRO 103 Cb 0.60 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1hxy n PRO 103 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1hxy n HIS 112 N -5.73 0.00 -4.39 6.00 -0.00 -1.26 -4.84 115.22 105.00 1hxy n HIS 112 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.65 1hxy n HIS 112 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.47 1hxy n HIS 112 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1hxy s ASN 113 N 0.00 2.39 -0.29 0.26 3.04 0.11 -5.00 114.94 115.44 1hxy s ASN 113 Ca 0.00 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 51.69 1hxy s ASN 113 Cb 0.00 -0.10 0.09 0.00 -1.54 0.00 0.00 41.25 39.70 1hxy s ASN 113 CO 0.00 -0.42 0.05 -0.22 -3.04 0.00 0.00 177.10 173.47 1hxy s LEU 114 N -3.39 2.57 0.23 3.21 2.96 -1.26 -0.27 118.68 122.73 1hxy s LEU 114 Ca 0.29 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.38 1hxy s LEU 114 Cb 0.05 -1.01 -0.09 0.00 0.50 0.00 0.00 46.19 45.63 1hxy s LEU 114 CO 0.11 -0.36 0.91 -0.76 -1.32 0.00 0.00 176.35 174.93 1hxy s LEU 115 N 1.49 4.64 -0.13 -0.68 1.02 -0.33 -4.50 118.68 120.19 1hxy s LEU 115 Ca 0.06 1.90 0.02 0.00 0.02 0.00 0.00 54.13 56.13 1hxy s LEU 115 Cb -0.18 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.48 1hxy s LEU 115 CO -0.17 0.17 -0.20 -0.69 0.02 0.00 0.00 176.35 175.48 1hxy s VAL 116 N -1.16 1.90 -0.40 -1.59 1.01 0.11 -1.00 120.40 119.27 1hxy s VAL 116 Ca 0.40 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1hxy s VAL 116 Cb -0.26 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.51 1hxy s VAL 116 CO 0.31 0.52 0.21 0.00 0.00 0.00 0.00 175.10 176.14 1hxy s SER 118 N 1.91 6.61 -0.25 0.00 0.15 0.92 -1.54 113.70 121.49 1hxy s SER 118 Ca 0.02 0.73 -0.00 0.00 0.70 0.00 0.00 55.95 57.41 1hxy s SER 118 Cb -0.22 -2.29 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 1hxy s SER 118 CO 0.01 -0.11 0.01 -0.69 1.20 0.00 0.00 173.24 173.67 1hxy s VAL 119 N 1.22 1.25 0.17 4.45 1.01 -0.56 -0.38 120.40 127.57 1hxy s VAL 119 Ca 0.25 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1hxy s VAL 119 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1hxy s VAL 119 CO 0.10 -0.31 -0.01 -0.94 0.00 0.00 0.00 175.10 173.94 1hxy s SER 120 N 1.49 1.33 -1.19 3.32 1.04 -0.73 -0.81 113.70 118.15 1hxy s SER 120 Ca 0.01 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1hxy s SER 120 Cb -0.18 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1hxy s SER 120 CO -0.11 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1hxy n GLY 121 N -0.24 0.73 3.98 7.32 0.00 -0.18 -0.45 105.19 116.35 1hxy n GLY 121 Ca -0.07 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1hxy n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hxy s PHE 122 N -2.51 3.25 -0.24 1.61 -0.71 -1.03 -4.62 117.98 113.73 1hxy s PHE 122 Ca 0.00 -0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 55.58 1hxy s PHE 122 Cb 0.00 -1.86 0.06 0.00 -1.21 0.00 0.00 43.02 40.02 1hxy s PHE 122 CO 0.00 0.14 0.61 -0.47 -1.34 0.00 0.00 175.22 174.16 1hxy s TYR 123 N -2.13 -0.74 0.97 3.49 6.14 -0.62 -0.59 117.35 123.88 1hxy s TYR 123 Ca 0.41 1.71 -0.16 0.00 0.64 0.00 0.00 57.07 59.67 1hxy s TYR 123 Cb -0.09 0.30 0.24 0.00 0.42 0.00 0.00 41.96 42.83 1hxy s TYR 123 CO 0.31 -0.36 0.85 -2.30 0.64 0.00 0.00 175.55 174.68 1hxy n PRO 124 N 3.14 -2.77 0.06 4.97 -0.02 -1.26 -0.87 135.00 138.25 1hxy n PRO 124 Ca -0.16 -1.36 0.12 0.00 -2.02 0.00 0.00 63.50 60.09 1hxy n PRO 124 Cb 0.56 -1.29 0.46 0.00 -0.02 0.00 0.00 33.50 33.22 1hxy n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxy n GLY 125 N -3.27 -1.41 3.68 -1.23 0.00 -1.26 -4.75 105.19 96.95 1hxy n GLY 125 Ca 0.12 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1hxy n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hxy s SER 126 N -3.73 6.90 -0.05 1.61 0.15 -1.26 -4.98 113.70 112.34 1hxy s SER 126 Ca 0.09 2.00 -0.29 0.00 0.70 0.00 0.00 55.95 58.46 1hxy s SER 126 Cb 0.13 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1hxy s SER 126 CO 0.46 -0.70 0.86 -0.51 1.20 0.00 0.00 173.24 174.55 1hxy s ILE 127 N 2.58 0.00 -0.07 6.45 2.07 -1.26 -4.65 121.20 126.32 1hxy s ILE 127 Ca 0.61 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.88 1hxy s ILE 127 Cb -0.29 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.31 1hxy s ILE 127 CO 0.24 0.00 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.51 1hxy s GLU 128 N -2.24 1.94 -0.23 3.50 0.41 -0.52 -4.99 118.70 116.56 1hxy s GLU 128 Ca -0.00 -0.53 -0.00 0.00 -0.41 0.00 0.00 54.97 54.03 1hxy s GLU 128 Cb -0.01 -1.58 0.06 0.00 -1.78 0.00 0.00 34.13 30.83 1hxy s GLU 128 CO -0.03 0.09 -0.01 0.08 -0.49 0.00 0.00 175.26 174.90 1hxy s VAL 129 N 0.49 1.17 0.01 2.63 1.01 -1.26 -0.78 120.40 123.67 1hxy s VAL 129 Ca -0.13 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1hxy s VAL 129 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1hxy s VAL 129 CO 0.04 -0.19 -0.05 -0.13 0.00 0.00 0.00 175.10 174.77 1hxy s ARG 130 N 1.55 2.59 0.15 2.72 0.52 0.34 -4.96 118.95 121.86 1hxy s ARG 130 Ca -0.03 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1hxy s ARG 130 Cb -0.18 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 1hxy s ARG 130 CO -0.08 0.60 0.26 -1.58 0.02 0.00 0.00 175.30 174.52 1hxy s TRP 131 N -1.03 3.44 -0.07 -0.53 0.52 -1.26 -0.78 118.94 119.23 1hxy s TRP 131 Ca 0.18 0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.37 1hxy s TRP 131 Cb -0.11 -1.65 0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1hxy s TRP 131 CO 0.08 0.52 0.16 -0.06 0.02 0.00 0.00 176.95 177.68 1hxy s PHE 132 N -1.73 -0.19 -0.42 -1.98 0.08 0.07 -2.64 117.98 111.16 1hxy s PHE 132 Ca 0.34 0.53 -0.07 0.00 0.12 0.00 0.00 56.93 57.85 1hxy s PHE 132 Cb -0.11 -0.04 0.10 0.00 -0.57 0.00 0.00 43.02 42.40 1hxy s PHE 132 CO 0.28 -0.17 0.25 0.50 -0.10 0.00 0.00 175.22 175.98 1hxy s ARG 133 N 1.06 2.37 -1.14 0.44 3.52 0.86 -0.93 118.95 125.13 1hxy s ARG 133 Ca -0.08 -1.65 -0.06 0.00 -0.13 0.00 0.00 55.73 53.81 1hxy s ARG 133 Cb -0.10 -3.73 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1hxy s ARG 133 CO -0.06 -1.04 0.99 0.09 -0.81 0.00 0.00 175.30 174.47 1hxy n ASN 134 N 4.80 -4.83 0.00 -2.12 3.02 0.22 -2.25 115.26 114.09 1hxy n ASN 134 Ca -0.07 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1hxy n ASN 134 Cb 0.42 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 1hxy n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxy n GLY 135 N -1.63 0.54 3.35 7.41 0.00 -1.26 -5.00 105.19 108.60 1hxy n GLY 135 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1hxy n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hxy s GLN 136 N -0.33 3.39 0.55 1.61 -0.21 -0.96 -5.06 119.66 118.64 1hxy s GLN 136 Ca 0.00 -0.67 -0.21 0.00 0.02 0.00 0.00 55.36 54.50 1hxy s GLN 136 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1hxy s GLN 136 CO 0.00 0.11 1.26 -2.00 -2.12 0.00 0.00 175.29 172.54 1hxy s GLU 137 N 0.63 3.20 -0.19 2.91 2.12 -1.26 -0.10 118.70 126.02 1hxy s GLU 137 Ca -0.06 1.98 -0.05 0.00 0.36 0.00 0.00 54.97 57.20 1hxy s GLU 137 Cb -0.15 -2.16 0.06 0.00 0.26 0.00 0.00 34.13 32.14 1hxy s GLU 137 CO 0.03 -1.06 0.09 -1.83 -0.54 0.00 0.00 175.26 171.95 1hxy s GLU 138 N -3.02 0.10 0.01 4.30 4.04 -1.08 -4.82 118.70 118.22 1hxy s GLU 138 Ca 0.72 -0.15 0.22 0.00 0.04 0.00 0.00 54.97 55.81 1hxy s GLU 138 Cb -0.34 -1.76 -0.22 0.00 0.02 0.00 0.00 34.13 31.83 1hxy s GLU 138 CO 0.39 -0.71 0.70 1.63 -1.84 0.00 0.00 175.26 175.43 1hxy n LYS 139 N 5.27 0.48 -2.82 -4.83 5.02 -1.26 -4.39 118.16 115.63 1hxy n LYS 139 Ca -0.07 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.78 1hxy n LYS 139 Cb 0.48 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1hxy n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hxy s ALA 140 N -3.36 3.11 0.00 7.82 0.00 -1.26 -3.49 121.76 124.58 1hxy s ALA 140 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1hxy s ALA 140 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1hxy s ALA 140 CO 0.87 0.15 0.00 0.41 0.00 0.00 0.00 175.76 177.20 1hxy n GLY 141 N -0.17 0.39 3.73 0.00 0.00 -1.26 -4.79 105.19 103.08 1hxy n GLY 141 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1hxy n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hxy s VAL 142 N -2.08 4.91 0.07 1.61 1.01 -1.23 -2.41 120.40 122.28 1hxy s VAL 142 Ca 0.00 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1hxy s VAL 142 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1hxy s VAL 142 CO 0.00 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.57 1hxy s VAL 143 N 0.52 0.99 0.16 2.92 1.01 0.37 -4.99 120.40 121.38 1hxy s VAL 143 Ca 0.40 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1hxy s VAL 143 Cb -0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1hxy s VAL 143 CO 0.21 -0.32 0.26 -0.55 0.00 0.00 0.00 175.10 174.71 1hxy s SER 144 N -1.86 0.06 0.24 3.32 0.15 -1.26 0.54 113.70 114.88 1hxy s SER 144 Ca -0.02 -0.90 0.24 0.00 0.70 0.00 0.00 55.95 55.98 1hxy s SER 144 Cb -0.09 0.42 0.44 0.00 -1.71 0.00 0.00 66.02 65.09 1hxy s SER 144 CO 0.02 -0.88 1.49 0.71 1.20 0.00 0.00 173.24 175.78 1hxy h THR 145 N 2.57 0.00 0.00 6.45 1.35 -1.76 -3.49 112.91 118.02 1hxy h THR 145 Ca -0.32 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1hxy h THR 145 Cb 1.23 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1hxy h THR 145 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1hxy n GLY 146 N 1.25 -3.31 3.59 5.82 0.00 -1.26 -4.81 105.19 106.47 1hxy n GLY 146 Ca 0.04 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1hxy n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hxy s LEU 147 N 0.00 3.81 -0.17 0.99 2.96 -1.26 -4.54 118.68 120.46 1hxy s LEU 147 Ca 0.00 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1hxy s LEU 147 Cb 0.00 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1hxy s LEU 147 CO 0.00 -1.14 0.33 -0.63 -1.32 0.00 0.00 176.35 173.58 1hxy s ILE 148 N 4.10 5.27 -0.35 6.68 1.01 -0.59 -4.97 121.20 132.35 1hxy s ILE 148 Ca 0.43 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 61.53 1hxy s ILE 148 Cb -0.09 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1hxy s ILE 148 CO 0.28 0.35 0.33 -1.58 0.00 0.00 0.00 174.94 174.33 1hxy s GLN 149 N 0.72 3.49 0.24 2.79 0.74 -1.26 -1.69 119.66 124.69 1hxy s GLN 149 Ca 0.17 -0.52 0.25 0.00 0.05 0.00 0.00 55.36 55.31 1hxy s GLN 149 Cb -0.14 -3.82 0.92 0.00 1.10 0.00 0.00 33.01 31.07 1hxy s GLN 149 CO 0.05 -0.54 1.74 0.09 -0.55 0.00 0.00 175.29 176.08 1hxy n ASN 150 N 5.32 0.71 0.00 6.67 3.02 -0.51 -4.90 115.26 125.57 1hxy n ASN 150 Ca -0.10 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1hxy n ASN 150 Cb 0.49 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1hxy n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxy n GLY 151 N 0.49 0.89 0.26 7.41 0.00 -1.26 -4.89 105.19 108.08 1hxy n GLY 151 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1hxy n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hxy n ASP 152 N 0.00 2.10 -1.38 1.61 5.68 -1.26 -4.94 116.55 118.36 1hxy n ASP 152 Ca 0.00 -3.33 -0.08 0.00 -0.50 0.00 0.00 54.79 50.87 1hxy n ASP 152 Cb 0.00 -0.46 0.02 0.00 -1.14 0.00 0.00 41.12 39.54 1hxy n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1hxy n TRP 153 N -1.31 -0.83 -3.77 2.11 7.02 -1.26 -5.05 117.44 114.35 1hxy n TRP 153 Ca 0.17 0.26 -0.10 0.00 -1.02 0.00 0.00 57.50 56.80 1hxy n TRP 153 Cb 0.66 -2.33 -0.07 0.00 -2.42 0.00 0.00 31.31 27.15 1hxy n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1hxy s THR 154 N -2.89 0.10 0.28 -0.99 -4.23 -1.26 -4.73 115.64 101.91 1hxy s THR 154 Ca 0.15 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1hxy s THR 154 Cb -0.07 -1.11 -0.06 0.00 1.34 0.00 0.00 72.50 72.61 1hxy s THR 154 CO 0.18 -0.46 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.43 1hxy s PHE 155 N -3.21 1.85 0.15 3.99 0.40 0.25 -1.43 117.98 119.98 1hxy s PHE 155 Ca -0.00 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.40 1hxy s PHE 155 Cb 0.01 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.43 1hxy s PHE 155 CO -0.08 0.12 0.28 1.14 0.70 0.00 0.00 175.22 177.38 1hxy s GLN 156 N -3.81 1.09 -0.26 0.44 -2.07 -0.68 -1.01 119.66 113.36 1hxy s GLN 156 Ca 0.31 -1.09 -0.26 0.00 -1.82 0.00 0.00 55.36 52.50 1hxy s GLN 156 Cb 0.06 0.38 0.14 0.00 -1.09 0.00 0.00 33.01 32.50 1hxy s GLN 156 CO 0.12 -0.39 1.12 -0.08 -1.32 0.00 0.00 175.29 174.74 1hxy s THR 157 N -3.93 0.00 -0.15 3.63 -1.32 0.01 -1.54 115.64 112.33 1hxy s THR 157 Ca 0.13 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1hxy s THR 157 Cb 0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1hxy s THR 157 CO -0.03 0.00 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.49 1hxy s LEU 158 N -0.18 2.64 -0.30 9.08 1.02 -1.26 -1.49 118.68 128.19 1hxy s LEU 158 Ca 0.03 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.82 1hxy s LEU 158 Cb -0.04 -1.61 0.08 0.00 0.02 0.00 0.00 46.19 44.64 1hxy s LEU 158 CO -0.06 0.10 -0.03 -0.69 0.02 0.00 0.00 176.35 175.69 1hxy s VAL 159 N 0.71 2.22 0.15 -1.59 1.01 -0.59 -1.86 120.40 120.44 1hxy s VAL 159 Ca -0.06 -1.97 -0.00 0.00 0.00 0.00 0.00 61.98 59.95 1hxy s VAL 159 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1hxy s VAL 159 CO 0.02 -0.30 0.32 -0.04 0.00 0.00 0.00 175.10 175.10 1hxy s MET 160 N 1.01 3.50 -0.08 2.72 -1.94 0.19 -1.75 119.30 122.94 1hxy s MET 160 Ca 0.00 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1hxy s MET 160 Cb -0.20 -2.92 0.02 0.00 2.01 0.00 0.00 34.83 33.75 1hxy s MET 160 CO -0.06 0.49 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.21 1hxy s LEU 161 N -3.02 1.12 -0.24 -0.03 2.96 -0.17 -0.48 118.68 118.83 1hxy s LEU 161 Ca 0.37 -0.21 -0.28 0.00 -0.22 0.00 0.00 54.13 53.79 1hxy s LEU 161 Cb -0.12 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.92 1hxy s LEU 161 CO 0.28 -0.10 0.99 -1.61 -1.32 0.00 0.00 176.35 174.58 1hxy s GLU 162 N 1.48 4.23 0.26 1.98 2.02 -1.01 -1.19 118.70 126.47 1hxy s GLU 162 Ca -0.01 1.25 0.01 0.00 0.02 0.00 0.00 54.97 56.24 1hxy s GLU 162 Cb -0.13 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 1hxy s GLU 162 CO -0.04 -0.61 0.12 0.95 0.02 0.00 0.00 175.26 175.70 1hxy s THR 163 N 3.13 0.40 -0.59 3.63 -4.23 0.63 -4.91 115.64 113.70 1hxy s THR 163 Ca 0.42 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1hxy s THR 163 Cb -0.15 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.36 1hxy s THR 163 CO 0.07 0.00 0.68 0.55 -0.54 0.00 0.00 174.62 175.38 1hxy n VAL 164 N -0.47 1.62 -1.53 2.29 3.14 -1.26 0.04 118.33 122.16 1hxy n VAL 164 Ca 0.01 -4.92 -0.48 0.00 -2.96 0.00 0.00 64.34 55.98 1hxy n VAL 164 Cb 0.66 -2.07 -0.06 0.00 -1.06 0.00 0.00 33.84 31.32 1hxy n VAL 164 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1hxy n PRO 165 N 1.05 1.50 -3.51 1.45 -0.04 -1.26 -4.98 135.00 129.21 1hxy n PRO 165 Ca 0.28 0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 63.83 1hxy n PRO 165 Cb 0.43 -2.71 -0.05 0.00 -0.04 0.00 0.00 33.50 31.13 1hxy n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hxy s ARG 166 N 5.90 3.82 -0.18 0.54 0.52 -1.26 -4.99 118.95 123.29 1hxy s ARG 166 Ca 1.04 0.26 -0.34 0.00 -0.52 0.00 0.00 55.73 56.18 1hxy s ARG 166 Cb -0.68 -2.96 -0.11 0.00 0.52 0.00 0.00 34.95 31.72 1hxy s ARG 166 CO 0.46 0.52 2.01 0.43 0.02 0.00 0.00 175.30 178.74 1hxy n SER 167 N 0.80 3.07 0.00 0.23 7.64 -1.26 -2.15 113.62 121.95 1hxy n SER 167 Ca -0.07 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1hxy n SER 167 Cb 0.52 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1hxy n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hxy n GLY 168 N 5.14 1.48 3.59 0.23 0.00 -1.17 -5.06 105.19 109.40 1hxy n GLY 168 Ca 0.28 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1hxy n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hxy n GLU 169 N 0.00 0.67 -4.02 1.61 1.02 -0.91 -4.72 120.64 114.29 1hxy n GLU 169 Ca 0.00 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.10 1hxy n GLU 169 Cb 0.00 -2.13 -0.15 0.00 -0.02 0.00 0.00 31.44 29.14 1hxy n GLU 169 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1hxy s VAL 170 N -1.66 1.86 -0.22 2.62 1.01 -1.26 -2.21 120.40 120.54 1hxy s VAL 170 Ca 0.74 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1hxy s VAL 170 Cb -0.39 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1hxy s VAL 170 CO 0.49 0.02 0.18 -0.31 0.00 0.00 0.00 175.10 175.48 1hxy s TYR 171 N 1.26 3.35 0.01 5.22 2.02 -0.51 0.69 117.35 129.40 1hxy s TYR 171 Ca -0.06 0.31 0.08 0.00 -0.37 0.00 0.00 57.07 57.03 1hxy s TYR 171 Cb -0.19 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 1hxy s TYR 171 CO -0.06 0.13 -0.25 0.99 -1.57 0.00 0.00 175.55 174.79 1hxy s THR 172 N 0.87 1.98 -0.23 -0.71 2.01 -0.10 -0.04 115.64 119.41 1hxy s THR 172 Ca 0.09 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 60.86 1hxy s THR 172 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1hxy s THR 172 CO 0.03 0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 174.35 1hxy s GLN 174 N 1.44 3.65 -0.15 0.00 0.74 0.04 -2.19 119.66 123.19 1hxy s GLN 174 Ca 0.04 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.94 1hxy s GLN 174 Cb -0.15 -2.94 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1hxy s GLN 174 CO -0.04 0.20 -0.19 0.08 -0.55 0.00 0.00 175.29 174.79 1hxy s VAL 175 N 0.48 2.32 -0.26 1.34 1.01 0.13 -0.51 120.40 124.92 1hxy s VAL 175 Ca -0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1hxy s VAL 175 Cb -0.14 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1hxy s VAL 175 CO 0.03 0.53 0.01 -1.61 0.00 0.00 0.00 175.10 174.06 1hxy s GLU 176 N 0.92 3.15 -0.12 2.72 2.02 0.04 -0.70 118.70 126.73 1hxy s GLU 176 Ca -0.04 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.06 1hxy s GLU 176 Cb -0.15 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 30.93 1hxy s GLU 176 CO -0.03 -0.35 0.30 -1.58 0.02 0.00 0.00 175.26 173.63 1hxy s HIS 177 N 1.46 -0.36 0.60 1.61 2.46 -1.26 -1.44 115.29 118.36 1hxy s HIS 177 Ca 0.03 0.85 0.28 0.00 0.47 0.00 0.00 55.06 56.69 1hxy s HIS 177 Cb -0.16 0.12 1.28 0.00 -0.13 0.00 0.00 32.58 33.68 1hxy s HIS 177 CO -0.01 -0.19 1.68 -1.00 -2.47 0.00 0.00 174.74 172.75 1hxy h PRO 178 N 6.06 0.00 0.00 2.88 0.13 -1.94 -0.68 132.00 138.46 1hxy h PRO 178 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1hxy h PRO 178 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hxy h PRO 178 CO 0.32 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.75 1hxy h SER 179 N 0.00 0.00 -3.36 1.44 4.64 -1.89 -3.42 113.55 110.96 1hxy h SER 179 Ca 0.29 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.08 1hxy h SER 179 Cb 1.77 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.52 1hxy h SER 179 CO -0.00 0.00 -0.82 -0.69 -0.87 0.00 0.00 176.83 174.45 1hxy s VAL 180 N -3.69 1.21 0.06 0.95 1.01 -0.26 -4.87 120.40 114.81 1hxy s VAL 180 Ca 0.01 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1hxy s VAL 180 Cb 0.10 -1.12 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 1hxy s VAL 180 CO 0.49 0.38 1.43 0.71 0.00 0.00 0.00 175.10 178.11 1hxy h THR 181 N 5.98 0.00 -3.00 3.92 1.35 -1.82 -3.42 112.91 115.93 1hxy h THR 181 Ca -0.30 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 64.94 1hxy h THR 181 Cb 1.18 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.54 1hxy h THR 181 CO 0.47 0.00 -0.23 -0.94 -0.25 0.00 0.00 175.52 174.57 1hxy s SER 182 N -3.73 6.76 0.48 5.36 1.04 -1.26 -5.00 113.70 117.35 1hxy s SER 182 Ca -0.14 0.90 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1hxy s SER 182 Cb 0.03 -2.23 -0.11 0.00 0.10 0.00 0.00 66.02 63.80 1hxy s SER 182 CO 0.46 0.32 0.51 -2.65 0.98 0.00 0.00 173.24 172.85 1hxy n PRO 183 N 1.95 0.54 -3.58 4.02 -0.02 -1.26 -4.98 135.00 131.67 1hxy n PRO 183 Ca -0.14 0.20 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 1hxy n PRO 183 Cb 0.53 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1hxy n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hxy s LEU 184 N 1.53 4.35 0.00 2.45 1.43 0.12 -4.92 118.68 123.64 1hxy s LEU 184 Ca 0.65 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1hxy s LEU 184 Cb -0.53 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1hxy s LEU 184 CO 0.57 0.22 -0.02 0.42 0.23 0.00 0.00 176.35 177.78 1hxy s THR 185 N -0.29 0.13 -0.03 5.49 -4.23 -1.26 0.22 115.64 115.67 1hxy s THR 185 Ca 0.19 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1hxy s THR 185 Cb -0.14 -0.15 0.01 0.00 1.34 0.00 0.00 72.50 73.56 1hxy s THR 185 CO 0.07 -0.08 -0.06 0.54 -0.54 0.00 0.00 174.62 174.55 1hxy s VAL 186 N -0.33 0.57 0.34 2.29 0.11 -0.93 -4.98 120.40 117.48 1hxy s VAL 186 Ca -0.03 -0.23 0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1hxy s VAL 186 Cb -0.03 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1hxy s VAL 186 CO -0.00 0.20 0.14 -1.61 -3.33 0.00 0.00 175.10 170.50 1hxy s GLU 187 N 0.36 2.37 -0.03 1.54 2.02 -1.26 -1.26 118.70 122.45 1hxy s GLU 187 Ca -0.05 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.39 1hxy s GLU 187 Cb -0.09 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1hxy s GLU 187 CO 0.00 0.10 0.01 -0.46 0.02 0.00 0.00 175.26 174.94 1hxy s TRP 188 N -2.43 0.20 -0.24 1.61 -0.00 0.95 -4.95 118.94 114.08 1hxy s TRP 188 Ca 0.38 0.05 -0.08 0.00 -0.00 0.00 0.00 56.10 56.44 1hxy s TRP 188 Cb -0.02 -0.34 -0.04 0.00 -0.00 0.00 0.00 33.47 33.07 1hxy s TRP 188 CO 0.23 -0.11 0.10 1.03 -0.00 0.00 0.00 176.95 178.20 1hxy s ARG 189 N 1.03 3.83 0.00 5.86 0.52 -1.26 -1.43 118.95 127.50 1hxy s ARG 189 Ca -0.10 -0.39 0.29 0.00 -0.52 0.00 0.00 55.73 55.01 1hxy s ARG 189 Cb -0.13 -3.39 1.20 0.00 0.52 0.00 0.00 34.95 33.15 1hxy s ARG 189 CO -0.02 -0.05 1.83 0.00 0.02 0.00 0.00 175.30 177.08