#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxb s ILE 2 N 0.00 5.34 0.22 2.02 1.01 -1.26 -0.90 121.20 127.63 2hxb s ILE 2 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 2hxb s ILE 2 Cb 0.00 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 2hxb s ILE 2 CO 0.00 0.44 1.44 -0.76 0.00 0.00 0.00 174.94 176.06 2hxb s LEU 3 N 0.18 4.39 0.81 2.97 1.02 -0.24 -5.00 118.68 122.80 2hxb s LEU 3 Ca 0.14 2.60 -0.08 0.00 0.02 0.00 0.00 54.13 56.81 2hxb s LEU 3 Cb -0.13 -3.61 0.13 0.00 0.02 0.00 0.00 46.19 42.61 2hxb s LEU 3 CO 0.03 -0.69 1.12 -0.94 0.02 0.00 0.00 176.35 175.89 2hxb s SER 4 N 0.52 4.03 0.20 2.29 1.04 -1.26 -4.46 113.70 116.05 2hxb s SER 4 Ca 0.61 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 57.00 2hxb s SER 4 Cb -0.41 -0.45 0.18 0.00 0.10 0.00 0.00 66.02 65.45 2hxb s SER 4 CO 0.40 -2.11 1.63 -2.24 0.98 0.00 0.00 173.24 171.90 2hxb h ASP 5 N -0.96 -0.62 0.24 7.02 3.04 -1.15 0.09 116.42 124.08 2hxb h ASP 5 Ca -0.42 0.18 -0.04 0.00 -3.24 0.00 0.00 57.03 53.51 2hxb h ASP 5 Cb 1.27 0.38 -0.01 0.00 -1.04 0.00 0.00 39.33 39.94 2hxb h ASP 5 CO 0.45 -0.21 -0.21 0.07 -2.04 0.00 0.00 179.24 177.30 2hxb h LYS 6 N -0.04 0.00 -0.04 4.15 2.10 -1.90 -1.51 116.57 119.33 2hxb h LYS 6 Ca 0.26 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.70 2hxb h LYS 6 Cb 0.44 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.79 2hxb h LYS 6 CO -0.59 0.21 -0.83 -0.44 -2.00 0.00 0.00 179.45 175.80 2hxb h ASP 7 N 0.00 0.79 -0.46 7.07 3.32 -1.42 -2.77 116.42 122.95 2hxb h ASP 7 Ca -0.00 -0.72 0.05 0.00 0.02 0.00 0.00 57.03 56.38 2hxb h ASP 7 Cb 0.39 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2hxb h ASP 7 CO 0.03 1.40 0.19 0.40 -1.72 0.00 0.00 179.24 179.54 2hxb h ILE 8 N 0.26 0.90 -0.63 0.35 2.04 -0.62 -0.11 117.51 119.70 2hxb h ILE 8 Ca -0.09 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2hxb h ILE 8 Cb 1.49 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2hxb h ILE 8 CO 0.17 0.07 0.34 0.40 0.00 0.00 0.00 178.15 179.13 2hxb h ILE 9 N 0.39 1.20 0.24 -0.67 2.04 -1.28 -1.52 117.51 117.91 2hxb h ILE 9 Ca 0.21 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2hxb h ILE 9 Cb 0.17 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2hxb h ILE 9 CO -0.18 0.22 -0.12 0.44 0.00 0.00 0.00 178.15 178.51 2hxb h ASP 10 N 0.86 -0.28 -0.28 1.72 3.32 -1.14 0.45 116.42 121.07 2hxb h ASP 10 Ca 0.22 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.27 2hxb h ASP 10 Cb 0.05 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2hxb h ASP 10 CO -0.04 -0.17 0.19 1.88 -1.72 0.00 0.00 179.24 179.39 2hxb h TYR 11 N -0.36 0.31 0.24 4.55 -1.99 -0.87 -0.91 116.97 117.94 2hxb h TYR 11 Ca -0.03 0.01 -0.32 0.00 2.00 0.00 0.00 58.73 60.39 2hxb h TYR 11 Cb 0.28 -0.11 0.04 0.00 2.00 0.00 0.00 36.73 38.94 2hxb h TYR 11 CO -0.05 0.19 -1.39 0.28 -0.00 0.00 0.00 178.16 177.20 2hxb h VAL 12 N 0.33 1.31 -1.00 -2.88 2.07 -1.08 0.11 116.25 115.11 2hxb h VAL 12 Ca 0.11 -2.67 0.06 0.00 0.82 0.00 0.00 66.70 65.02 2hxb h VAL 12 Cb 0.03 3.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.79 2hxb h VAL 12 CO -0.02 0.79 0.65 0.74 0.02 0.00 0.00 177.57 179.75 2hxb h THR 13 N 0.09 1.11 -0.38 2.57 2.02 0.65 -2.51 112.91 116.46 2hxb h THR 13 Ca -0.24 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2hxb h THR 13 Cb 2.09 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2hxb h THR 13 CO 0.26 0.22 0.00 -1.54 0.37 0.00 0.00 175.52 174.83 2hxb n SER 14 N -4.48 2.70 -0.41 4.18 3.41 -0.42 -4.92 113.62 113.69 2hxb n SER 14 Ca 0.15 -1.92 -0.05 0.00 -0.26 0.00 0.00 58.87 56.79 2hxb n SER 14 Cb 0.16 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2hxb n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hxb n LYS 15 N 0.99 -0.58 -0.09 4.33 4.01 -0.95 -4.91 118.16 120.97 2hxb n LYS 15 Ca 0.18 0.59 -0.12 0.00 -0.51 0.00 0.00 58.31 58.45 2hxb n LYS 15 Cb 0.46 -4.33 -0.04 0.00 -0.51 0.00 0.00 35.03 30.61 2hxb n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hxb h ARG 16 N 0.19 0.52 -5.27 1.97 3.08 -1.11 -3.41 114.38 110.34 2hxb h ARG 16 Ca -0.11 -0.21 -0.66 0.00 0.07 0.00 0.00 59.98 59.07 2hxb h ARG 16 Cb 0.45 -0.02 -0.28 0.00 0.08 0.00 0.00 29.97 30.20 2hxb h ARG 16 CO 0.16 0.75 -0.78 0.42 -1.07 0.00 0.00 179.97 179.45 2hxb s ILE 17 N -4.67 2.90 -0.19 2.04 1.01 -0.44 -3.56 121.20 118.29 2hxb s ILE 17 Ca -0.13 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2hxb s ILE 17 Cb 0.07 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2hxb s ILE 17 CO 0.77 0.52 0.26 -0.63 0.00 0.00 0.00 174.94 175.87 2hxb s ILE 18 N 0.52 5.31 -0.20 2.92 -1.09 -0.33 -4.08 121.20 124.25 2hxb s ILE 18 Ca -0.09 0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 58.76 2hxb s ILE 18 Cb -0.16 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 2hxb s ILE 18 CO 0.04 0.36 0.02 -0.63 -1.23 0.00 0.00 174.94 173.50 2hxb s ILE 19 N 0.73 0.72 -0.11 2.92 1.01 -1.25 -1.59 121.20 123.62 2hxb s ILE 19 Ca 0.14 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2hxb s ILE 19 Cb -0.13 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.17 2hxb s ILE 19 CO 0.04 -0.20 -0.13 -0.54 0.00 0.00 0.00 174.94 174.11 2hxb s LYS 20 N 1.77 2.04 0.56 2.79 1.02 -0.37 -2.94 119.74 124.60 2hxb s LYS 20 Ca -0.02 -0.48 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 2hxb s LYS 20 Cb -0.17 -1.82 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 2hxb s LYS 20 CO -0.08 -0.13 1.05 -1.25 -0.92 0.00 0.00 175.35 174.02 2hxb s PRO 21 N 1.20 3.51 -0.11 -1.68 0.04 -1.26 0.00 135.00 136.70 2hxb s PRO 21 Ca -0.03 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 2hxb s PRO 21 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2hxb s PRO 21 CO -0.04 -0.66 -0.04 0.12 0.04 0.00 0.00 177.00 176.42 2hxb s PHE 22 N -2.34 3.02 -0.12 0.56 5.36 -1.15 -4.84 117.98 118.46 2hxb s PHE 22 Ca 0.64 -0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.51 2hxb s PHE 22 Cb -0.16 -1.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2hxb s PHE 22 CO 0.32 0.20 0.01 1.21 -1.46 0.00 0.00 175.22 175.50 2hxb s ASN 23 N -0.33 2.11 0.31 6.13 3.84 -1.26 -5.04 114.94 120.70 2hxb s ASN 23 Ca 0.05 -0.37 0.07 0.00 0.21 0.00 0.00 52.86 52.82 2hxb s ASN 23 Cb -0.12 -0.51 0.86 0.00 -0.55 0.00 0.00 41.25 40.93 2hxb s ASN 23 CO 0.02 -0.24 1.67 0.50 -2.79 0.00 0.00 177.10 176.26 2hxb h LYS 24 N 8.29 0.30 0.00 0.43 3.64 -1.99 -1.05 116.57 126.19 2hxb h LYS 24 Ca -0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2hxb h LYS 24 Cb 1.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2hxb h LYS 24 CO 0.29 0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 177.42 2hxb n ASP 25 N -5.11 0.53 -0.03 4.20 8.00 -1.26 -2.02 116.55 120.87 2hxb n ASP 25 Ca 0.26 0.62 0.14 0.00 0.71 0.00 0.00 54.79 56.52 2hxb n ASP 25 Cb 0.79 -0.74 0.68 0.00 -0.02 0.00 0.00 41.12 41.83 2hxb n ASP 25 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2hxb n PHE 26 N -2.08 0.00 -2.56 1.24 3.72 -0.40 -4.78 117.46 112.60 2hxb n PHE 26 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 2hxb n PHE 26 Cb 0.24 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 2hxb n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2hxb s VAL 27 N -2.63 4.49 0.28 -4.37 1.01 -0.85 -0.64 120.40 117.69 2hxb s VAL 27 Ca 0.26 1.79 0.04 0.00 0.00 0.00 0.00 61.98 64.07 2hxb s VAL 27 Cb 0.20 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2hxb s VAL 27 CO 0.49 -0.22 0.32 0.61 0.00 0.00 0.00 175.10 176.30 2hxb n GLY 28 N 3.54 2.31 0.33 4.51 0.00 -0.52 -4.99 105.19 110.37 2hxb n GLY 28 Ca 0.13 -2.20 0.19 0.00 0.00 0.00 0.00 46.02 44.14 2hxb n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hxb h PRO 29 N 0.00 0.43 -0.08 1.61 0.11 -1.97 -3.31 132.00 128.78 2hxb h PRO 29 Ca -0.15 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.74 2hxb h PRO 29 Cb 0.62 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 31.45 2hxb h PRO 29 CO 0.22 0.28 -0.41 0.00 -0.21 0.00 0.00 178.00 177.88 2hxb s SER 31 N -1.52 -0.16 -0.07 0.00 1.04 -1.25 -4.63 113.70 107.11 2hxb s SER 31 Ca 0.14 -0.71 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 2hxb s SER 31 Cb 0.43 0.70 0.02 0.00 0.10 0.00 0.00 66.02 67.27 2hxb s SER 31 CO -0.11 -1.33 -0.03 -0.47 0.98 0.00 0.00 173.24 172.28 2hxb s TYR 32 N -3.26 0.89 0.18 5.02 6.14 -0.11 -1.44 117.35 124.76 2hxb s TYR 32 Ca 0.13 -0.31 -0.30 0.00 0.64 0.00 0.00 57.07 57.23 2hxb s TYR 32 Cb -0.05 -0.86 -0.07 0.00 0.42 0.00 0.00 41.96 41.40 2hxb s TYR 32 CO 0.07 -0.32 0.95 -0.51 0.64 0.00 0.00 175.55 176.38 2hxb s ASP 33 N 1.55 7.57 0.28 4.32 1.01 0.19 -0.16 116.67 131.43 2hxb s ASP 33 Ca -0.01 1.87 0.11 0.00 0.71 0.00 0.00 52.55 55.24 2hxb s ASP 33 Cb -0.13 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 2hxb s ASP 33 CO -0.04 0.04 -0.13 0.68 0.21 0.00 0.00 175.17 175.94 2hxb s VAL 34 N -0.59 2.75 0.25 -1.27 -7.23 0.74 -4.90 120.40 110.15 2hxb s VAL 34 Ca 0.44 -2.24 0.11 0.00 -1.81 0.00 0.00 61.98 58.49 2hxb s VAL 34 Cb -0.25 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2hxb s VAL 34 CO 0.31 -0.37 -0.21 0.42 -0.31 0.00 0.00 175.10 174.94 2hxb s THR 35 N -2.46 2.38 -0.35 5.32 -4.23 -1.26 -1.11 115.64 113.94 2hxb s THR 35 Ca 0.31 -2.30 -0.26 0.00 -1.18 0.00 0.00 61.69 58.26 2hxb s THR 35 Cb -0.05 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2hxb s THR 35 CO 0.17 -0.34 0.95 -0.22 -0.54 0.00 0.00 174.62 174.63 2hxb s LEU 36 N -3.28 3.99 0.95 4.79 2.96 -0.10 -1.20 118.68 126.79 2hxb s LEU 36 Ca 0.27 0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 54.80 2hxb s LEU 36 Cb -0.05 -3.32 0.16 0.00 0.50 0.00 0.00 46.19 43.48 2hxb s LEU 36 CO 0.13 -0.83 1.09 -0.83 -1.32 0.00 0.00 176.35 174.59 2hxb s GLY 37 N 1.78 1.63 0.00 7.98 0.00 -0.17 -0.46 107.32 118.08 2hxb s GLY 37 Ca 0.39 0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.55 2hxb s GLY 37 CO 0.17 0.67 1.70 2.09 0.00 0.00 0.00 173.10 177.72 2hxb n ASP 38 N -4.21 0.52 -4.65 1.64 5.68 -1.26 -4.71 116.55 109.56 2hxb n ASP 38 Ca 0.08 -0.40 -0.35 0.00 -0.50 0.00 0.00 54.79 53.62 2hxb n ASP 38 Cb 0.54 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.41 2hxb n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2hxb s GLU 39 N -2.69 3.52 0.06 0.11 2.02 -1.26 -1.12 118.70 119.34 2hxb s GLU 39 Ca 0.21 -0.38 0.04 0.00 0.02 0.00 0.00 54.97 54.86 2hxb s GLU 39 Cb 0.19 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 2hxb s GLU 39 CO 0.55 0.47 -0.11 -0.06 0.02 0.00 0.00 175.26 176.13 2hxb s PHE 40 N -0.21 0.98 0.03 1.61 0.40 -0.52 -3.91 117.98 116.37 2hxb s PHE 40 Ca 0.06 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 2hxb s PHE 40 Cb -0.12 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 2hxb s PHE 40 CO 0.02 -0.01 -0.15 0.96 0.70 0.00 0.00 175.22 176.74 2hxb s ILE 41 N -1.48 1.21 -0.09 0.64 -4.36 0.14 -1.41 121.20 115.85 2hxb s ILE 41 Ca -0.04 -0.99 0.03 0.00 -0.26 0.00 0.00 60.65 59.39 2hxb s ILE 41 Cb -0.09 -1.08 0.01 0.00 1.25 0.00 0.00 42.46 42.55 2hxb s ILE 41 CO 0.01 0.08 -0.19 -0.63 0.24 0.00 0.00 174.94 174.45 2hxb s ILE 42 N -0.78 1.68 0.30 8.37 -1.09 -0.37 -1.72 121.20 127.59 2hxb s ILE 42 Ca 0.03 -0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 2hxb s ILE 42 Cb -0.08 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.23 2hxb s ILE 42 CO 0.01 0.48 1.15 -0.47 -1.23 0.00 0.00 174.94 174.87 2hxb s TYR 43 N 0.55 3.43 -0.48 3.97 5.04 -1.26 -0.89 117.35 127.70 2hxb s TYR 43 Ca -0.15 1.63 0.06 0.00 -2.44 0.00 0.00 57.07 56.17 2hxb s TYR 43 Cb -0.17 -3.37 -0.02 0.00 0.35 0.00 0.00 41.96 38.75 2hxb s TYR 43 CO 0.05 -0.87 0.42 -3.47 -1.34 0.00 0.00 175.55 170.34 2hxb n ASP 44 N 1.01 0.75 -4.99 4.32 2.03 -0.23 -4.88 116.55 114.56 2hxb n ASP 44 Ca -0.00 -0.88 -0.19 0.00 0.52 0.00 0.00 54.79 54.24 2hxb n ASP 44 Cb 0.44 0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 41.47 2hxb n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2hxb s ASP 45 N -1.19 5.89 0.12 1.67 1.01 -1.26 -5.02 116.67 117.89 2hxb s ASP 45 Ca 0.04 -0.24 -0.15 0.00 0.71 0.00 0.00 52.55 52.91 2hxb s ASP 45 Cb 0.05 -1.11 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 2hxb s ASP 45 CO 0.18 -0.50 1.55 -0.08 0.21 0.00 0.00 175.17 176.53 2hxb h GLU 46 N 0.85 0.67 -4.83 8.23 4.81 -1.99 -3.45 114.58 118.86 2hxb h GLU 46 Ca -0.44 -0.23 -0.28 0.00 -0.13 0.00 0.00 59.36 58.28 2hxb h GLU 46 Cb 1.26 -0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.43 2hxb h GLU 46 CO 0.51 0.79 -0.71 0.14 -0.73 0.00 0.00 179.01 179.01 2hxb s VAL 47 N -4.92 0.87 -0.51 0.32 -7.23 -1.26 -5.11 120.40 102.56 2hxb s VAL 47 Ca -0.13 -1.81 -0.21 0.00 -1.81 0.00 0.00 61.98 58.02 2hxb s VAL 47 Cb 0.09 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.53 2hxb s VAL 47 CO 0.79 -0.72 0.72 -0.31 -0.31 0.00 0.00 175.10 175.28 2hxb s TYR 48 N -3.04 2.98 -0.33 2.82 2.02 -1.26 -4.99 117.35 115.54 2hxb s TYR 48 Ca 0.09 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2hxb s TYR 48 Cb 0.01 -3.66 0.09 0.00 -0.40 0.00 0.00 41.96 38.01 2hxb s TYR 48 CO -0.02 -1.09 0.04 0.34 -1.57 0.00 0.00 175.55 173.25 2hxb s ASP 49 N 2.60 4.76 0.00 2.29 -1.08 -1.26 -4.99 116.67 118.99 2hxb s ASP 49 Ca 0.21 -2.02 0.21 0.00 -0.52 0.00 0.00 52.55 50.43 2hxb s ASP 49 Cb -0.16 -1.63 1.25 0.00 -1.46 0.00 0.00 42.92 40.92 2hxb s ASP 49 CO 0.15 -0.36 1.76 0.18 0.52 0.00 0.00 175.17 177.43 2hxb n LEU 50 N 4.31 0.00 -0.40 -1.34 4.77 -1.26 -1.33 117.00 121.75 2hxb n LEU 50 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2hxb n LEU 50 Cb 0.42 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.97 2hxb n LEU 50 CO 0.23 0.00 0.79 -1.54 -1.33 0.00 0.00 177.39 175.54 2hxb n SER 51 N -0.85 1.36 -4.61 -1.43 3.41 -1.26 -4.90 113.62 105.34 2hxb n SER 51 Ca 0.16 -1.29 -0.24 0.00 -0.26 0.00 0.00 58.87 57.24 2hxb n SER 51 Cb 0.07 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 2hxb n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hxb s LYS 52 N -2.18 2.07 0.20 4.33 1.02 -0.44 -5.12 119.74 119.62 2hxb s LYS 52 Ca 0.33 -1.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2hxb s LYS 52 Cb 0.20 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 2hxb s LYS 52 CO 0.40 0.22 1.06 -2.00 -0.92 0.00 0.00 175.35 174.11 2hxb s GLU 53 N -3.67 4.65 0.08 1.68 2.12 -1.26 -4.93 118.70 117.37 2hxb s GLU 53 Ca 0.33 1.68 -0.14 0.00 0.36 0.00 0.00 54.97 57.20 2hxb s GLU 53 Cb -0.02 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 2hxb s GLU 53 CO 0.19 0.18 0.48 -0.51 -0.54 0.00 0.00 175.26 175.06 2hxb s LEU 54 N -0.69 4.40 -0.20 2.70 1.43 -1.26 -5.08 118.68 119.98 2hxb s LEU 54 Ca 0.47 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2hxb s LEU 54 Cb -0.29 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 2hxb s LEU 54 CO 0.35 0.20 0.03 0.20 0.23 0.00 0.00 176.35 177.37 2hxb s ASN 55 N -1.48 5.17 0.19 2.29 0.01 -1.26 -5.08 114.94 114.78 2hxb s ASN 55 Ca 0.32 -0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.44 2hxb s ASN 55 Cb -0.16 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 2hxb s ASN 55 CO 0.17 0.10 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.41 2hxb s TYR 56 N 0.82 1.61 -0.04 2.20 1.51 -1.26 -1.07 117.35 121.12 2hxb s TYR 56 Ca 0.02 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 2hxb s TYR 56 Cb -0.14 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 2hxb s TYR 56 CO 0.02 0.29 -0.12 0.15 -1.11 0.00 0.00 175.55 174.78 2hxb s LYS 57 N -3.57 2.51 -0.10 -0.62 1.02 -0.07 -4.90 119.74 114.01 2hxb s LYS 57 Ca 0.20 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 2hxb s LYS 57 Cb -0.01 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 2hxb s LYS 57 CO 0.05 0.62 -0.05 0.50 -0.92 0.00 0.00 175.35 175.55 2hxb s ARG 58 N -0.91 3.06 0.08 1.68 3.52 -1.26 -1.23 118.95 123.89 2hxb s ARG 58 Ca 0.13 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.28 2hxb s ARG 58 Cb -0.11 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2hxb s ARG 58 CO 0.02 0.54 -0.20 0.96 -0.81 0.00 0.00 175.30 175.81 2hxb s ILE 59 N -0.46 1.60 -0.30 4.11 -4.36 -0.50 -5.01 121.20 116.27 2hxb s ILE 59 Ca 0.07 -1.37 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2hxb s ILE 59 Cb -0.12 -1.44 0.09 0.00 1.25 0.00 0.00 42.46 42.24 2hxb s ILE 59 CO 0.02 0.01 0.02 -0.75 0.24 0.00 0.00 174.94 174.48 2hxb s LYS 60 N -1.61 1.45 0.53 0.37 2.20 -1.26 -1.44 119.74 119.98 2hxb s LYS 60 Ca 0.06 -1.44 -0.19 0.00 -0.36 0.00 0.00 55.97 54.04 2hxb s LYS 60 Cb -0.09 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2hxb s LYS 60 CO 0.03 -0.83 1.06 0.96 -0.36 0.00 0.00 175.35 176.21 2hxb s ILE 61 N 1.19 3.72 -0.21 5.43 -4.36 -0.28 -4.99 121.20 121.70 2hxb s ILE 61 Ca 0.04 0.98 0.09 0.00 -0.26 0.00 0.00 60.65 61.51 2hxb s ILE 61 Cb -0.19 -3.41 -0.19 0.00 1.25 0.00 0.00 42.46 39.93 2hxb s ILE 61 CO -0.11 -0.32 -0.07 0.29 0.24 0.00 0.00 174.94 174.97 2hxb n LYS 62 N -1.37 0.81 0.02 0.37 4.76 -1.26 -4.86 118.16 116.63 2hxb n LYS 62 Ca 0.09 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2hxb n LYS 62 Cb 0.52 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2hxb n LYS 62 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hxb n ASN 63 N -2.92 0.08 -3.55 4.39 4.13 -1.26 -4.88 115.26 111.25 2hxb n ASN 63 Ca -0.35 0.08 -0.11 0.00 1.68 0.00 0.00 54.58 55.87 2hxb n ASN 63 Cb 1.02 0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 39.25 2hxb n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2hxb s SER 64 N -5.09 -0.41 0.01 6.41 1.04 -1.26 -0.64 113.70 113.76 2hxb s SER 64 Ca 0.00 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2hxb s SER 64 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2hxb s SER 64 CO 0.00 -0.95 -0.03 -0.51 0.98 0.00 0.00 173.24 172.73 2hxb s ILE 65 N -3.79 0.17 -0.25 -1.02 2.07 -0.41 -1.91 121.20 116.07 2hxb s ILE 65 Ca 0.03 -0.59 -0.10 0.00 -1.41 0.00 0.00 60.65 58.58 2hxb s ILE 65 Cb -0.00 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 2hxb s ILE 65 CO -0.11 -0.27 0.15 -0.22 -1.91 0.00 0.00 174.94 172.58 2hxb s LEU 66 N -0.89 3.95 -0.24 8.50 2.96 -0.45 -0.97 118.68 131.54 2hxb s LEU 66 Ca -0.08 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 2hxb s LEU 66 Cb -0.06 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2hxb s LEU 66 CO -0.00 0.02 0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 2hxb s VAL 67 N 1.33 4.06 0.02 1.68 1.01 0.04 -1.47 120.40 127.07 2hxb s VAL 67 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2hxb s VAL 67 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2hxb s VAL 67 CO 0.06 0.37 0.06 0.00 0.00 0.00 0.00 175.10 175.59 2hxb n PRO 69 N 1.08 0.74 -1.63 0.00 -0.02 -1.25 -1.43 135.00 132.48 2hxb n PRO 69 Ca -0.12 0.29 -0.44 0.00 -2.02 0.00 0.00 63.50 61.21 2hxb n PRO 69 Cb 0.52 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2hxb n PRO 69 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hxb n LEU 70 N -0.59 2.52 -1.75 2.45 7.94 -1.26 -2.78 117.00 123.52 2hxb n LEU 70 Ca 0.13 1.19 -0.14 0.00 -1.11 0.00 0.00 56.01 56.08 2hxb n LEU 70 Cb 0.48 -1.37 0.01 0.00 0.53 0.00 0.00 43.42 43.07 2hxb n LEU 70 CO 0.49 -1.02 -0.11 0.59 -1.11 0.00 0.00 177.39 176.24 2hxb n ASN 71 N 1.06 -4.35 0.20 1.96 5.03 -1.26 -4.87 115.26 113.03 2hxb n ASN 71 Ca 0.08 -0.08 0.08 0.00 0.87 0.00 0.00 54.58 55.53 2hxb n ASN 71 Cb 0.34 -3.40 0.35 0.00 -1.02 0.00 0.00 39.78 36.04 2hxb n ASN 71 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2hxb h TYR 72 N -0.37 0.00 -5.52 3.10 3.20 -1.88 -3.48 116.97 112.02 2hxb h TYR 72 Ca -0.33 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.47 2hxb h TYR 72 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 2hxb h TYR 72 CO 0.36 0.28 -0.33 0.09 -1.64 0.00 0.00 178.16 176.91 2hxb n ASN 73 N -3.35 -7.49 -4.70 -2.11 3.02 -1.26 -4.96 115.26 94.41 2hxb n ASN 73 Ca 0.01 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2hxb n ASN 73 Cb 0.50 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 2hxb n ASN 73 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hxb s LEU 74 N -3.51 4.32 0.42 3.41 1.43 -1.26 -5.04 118.68 118.44 2hxb s LEU 74 Ca 0.11 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 2hxb s LEU 74 Cb -0.03 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.64 2hxb s LEU 74 CO 0.78 -0.34 0.55 0.42 0.23 0.00 0.00 176.35 177.98 2hxb s THR 75 N 1.45 2.97 0.24 5.49 -4.23 -1.26 -4.97 115.64 115.33 2hxb s THR 75 Ca 0.51 -1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2hxb s THR 75 Cb -0.20 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.85 2hxb s THR 75 CO 0.24 -0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.85 2hxb h GLU 76 N 0.68 0.99 -0.70 3.99 5.08 -1.99 -1.93 114.58 120.69 2hxb h GLU 76 Ca -0.40 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 57.97 2hxb h GLU 76 Cb 1.28 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 2hxb h GLU 76 CO 0.46 0.65 0.38 1.49 -1.00 0.00 0.00 179.01 181.00 2hxb h GLU 77 N 1.02 0.66 -0.19 2.33 4.81 -1.99 -0.78 114.58 120.43 2hxb h GLU 77 Ca 0.36 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2hxb h GLU 77 Cb 0.09 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2hxb h GLU 77 CO -0.15 0.44 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.25 2hxb h LYS 78 N 0.68 0.40 -0.67 1.92 1.63 -1.87 -1.01 116.57 117.66 2hxb h LYS 78 Ca 0.32 -0.18 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 2hxb h LYS 78 Cb 0.25 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 2hxb h LYS 78 CO -0.21 0.71 0.36 0.82 -3.45 0.00 0.00 179.45 177.68 2hxb h ILE 79 N 0.09 0.95 -0.27 2.00 2.04 -1.13 -0.60 117.51 120.60 2hxb h ILE 79 Ca 0.04 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2hxb h ILE 79 Cb 0.59 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2hxb h ILE 79 CO 0.03 0.12 0.02 0.78 0.00 0.00 0.00 178.15 179.10 2hxb h ASN 80 N 0.67 0.45 -0.46 1.72 2.35 -1.06 -0.49 115.58 118.75 2hxb h ASN 80 Ca 0.30 -0.29 0.09 0.00 -0.55 0.00 0.00 56.30 55.86 2hxb h ASN 80 Cb 0.21 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.38 2hxb h ASN 80 CO -0.19 0.62 -0.02 0.22 -1.65 0.00 0.00 177.43 176.41 2hxb h TYR 81 N 0.26 -0.07 -0.53 1.19 3.20 -0.87 -1.71 116.97 118.43 2hxb h TYR 81 Ca 0.08 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2hxb h TYR 81 Cb 0.38 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2hxb h TYR 81 CO 0.03 -0.12 0.13 0.74 -1.64 0.00 0.00 178.16 177.30 2hxb h PHE 82 N 0.09 0.89 -0.64 -3.82 0.04 -1.00 -1.90 116.94 110.61 2hxb h PHE 82 Ca 0.23 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.90 2hxb h PHE 82 Cb 0.35 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2hxb h PHE 82 CO -0.32 0.78 0.42 0.87 -0.60 0.00 0.00 178.31 179.47 2hxb h LYS 83 N 0.75 0.83 -0.05 1.51 1.57 -0.72 -2.10 116.57 118.35 2hxb h LYS 83 Ca 0.17 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2hxb h LYS 83 Cb 0.34 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2hxb h LYS 83 CO 0.00 0.55 -0.60 1.49 -0.57 0.00 0.00 179.45 180.32 2hxb h GLU 84 N 0.85 0.49 -0.43 3.15 4.81 -1.27 -2.16 114.58 120.02 2hxb h GLU 84 Ca 0.24 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 2hxb h GLU 84 Cb -0.08 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2hxb h GLU 84 CO -0.06 1.10 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.94 2hxb h LYS 85 N 0.05 0.87 -0.16 1.92 3.64 -1.30 -3.30 116.57 118.29 2hxb h LYS 85 Ca -0.06 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2hxb h LYS 85 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2hxb h LYS 85 CO 0.12 1.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.97 2hxb n TYR 86 N -4.23 0.19 -3.97 1.91 4.02 -0.80 -5.01 117.16 109.27 2hxb n TYR 86 Ca -0.01 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.90 57.42 2hxb n TYR 86 Cb 0.41 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.71 2hxb n TYR 86 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2hxb n ASN 87 N 0.80 -1.54 -4.81 7.72 3.02 -0.82 -5.01 115.26 114.62 2hxb n ASN 87 Ca 0.10 -1.09 -0.27 0.00 -0.03 0.00 0.00 54.58 53.29 2hxb n ASN 87 Cb 0.39 -2.72 -0.05 0.00 -0.61 0.00 0.00 39.78 36.79 2hxb n ASN 87 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hxb s VAL 88 N -3.88 4.60 0.07 2.41 -7.23 -1.19 -4.83 120.40 110.34 2hxb s VAL 88 Ca 0.15 -0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 2hxb s VAL 88 Cb -0.07 -3.31 -0.30 0.00 0.56 0.00 0.00 36.38 33.27 2hxb s VAL 88 CO 0.91 -0.04 1.11 0.44 -0.31 0.00 0.00 175.10 177.22 2hxb h ASP 89 N 2.64 0.64 -5.10 4.85 3.45 -1.73 -3.43 116.42 117.75 2hxb h ASP 89 Ca -0.47 -0.64 -0.15 0.00 0.43 0.00 0.00 57.03 56.19 2hxb h ASP 89 Cb 1.19 -0.20 -0.18 0.00 -0.56 0.00 0.00 39.33 39.57 2hxb h ASP 89 CO 0.65 1.49 -0.69 -0.31 -1.57 0.00 0.00 179.24 178.80 2hxb s TYR 90 N -2.76 0.39 -0.12 4.55 1.51 -1.25 -5.08 117.35 114.58 2hxb s TYR 90 Ca -0.06 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.21 2hxb s TYR 90 Cb 0.06 -0.29 0.02 0.00 -0.11 0.00 0.00 41.96 41.65 2hxb s TYR 90 CO 0.91 -0.28 -0.09 0.08 -1.11 0.00 0.00 175.55 175.06 2hxb s VAL 91 N -2.62 1.16 0.27 0.71 1.01 -1.26 -1.34 120.40 118.33 2hxb s VAL 91 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2hxb s VAL 91 Cb -0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 2hxb s VAL 91 CO -0.05 0.39 -0.09 0.68 0.00 0.00 0.00 175.10 176.03 2hxb s VAL 92 N 1.59 1.78 -0.02 2.92 -7.23 -0.54 -5.00 120.40 113.90 2hxb s VAL 92 Ca 0.04 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 2hxb s VAL 92 Cb -0.13 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.45 2hxb s VAL 92 CO -0.08 -0.35 0.01 -0.70 -0.31 0.00 0.00 175.10 173.67 2hxb s GLU 93 N -3.68 0.16 1.34 4.82 2.12 -1.26 -0.18 118.70 122.00 2hxb s GLU 93 Ca 0.29 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2hxb s GLU 93 Cb 0.02 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.08 2hxb s GLU 93 CO 0.12 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 2hxb n GLY 94 N 3.92 -0.58 3.71 -1.50 0.00 -0.51 -4.86 105.19 105.37 2hxb n GLY 94 Ca -0.24 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2hxb n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hxb s GLY 95 N 0.00 2.28 -0.04 -0.02 0.00 -1.26 -4.63 107.32 103.65 2hxb s GLY 95 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.68 2hxb s GLY 95 CO 0.00 2.13 -0.15 0.54 0.00 0.00 0.00 173.10 175.62 2hxb s VAL 96 N 1.09 1.23 -0.15 1.40 0.11 -0.52 -4.70 120.40 118.86 2hxb s VAL 96 Ca 0.60 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.89 2hxb s VAL 96 Cb -0.32 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 2hxb s VAL 96 CO 0.29 0.36 0.42 -0.76 -3.33 0.00 0.00 175.10 172.08 2hxb s LEU 97 N 0.12 4.23 0.00 2.54 1.43 -0.70 -0.68 118.68 125.63 2hxb s LEU 97 Ca -0.04 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2hxb s LEU 97 Cb -0.11 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2hxb s LEU 97 CO 0.02 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2hxb n GLY 98 N 3.47 6.76 3.32 -3.19 0.00 0.30 -0.68 105.19 115.17 2hxb n GLY 98 Ca -0.08 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 2hxb n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hxb s THR 99 N 0.67 0.05 0.64 2.61 -1.32 -1.25 -1.09 115.64 115.93 2hxb s THR 99 Ca 0.00 -0.39 -0.15 0.00 -1.21 0.00 0.00 61.69 59.93 2hxb s THR 99 Cb 0.00 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 2hxb s THR 99 CO 0.00 -0.22 1.09 0.42 -2.21 0.00 0.00 174.62 173.71 2hxb s THR 100 N -1.85 3.44 0.36 5.08 -4.23 -0.44 -1.00 115.64 117.00 2hxb s THR 100 Ca -0.09 0.67 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 2hxb s THR 100 Cb -0.02 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.77 2hxb s THR 100 CO 0.02 -0.41 1.88 0.78 -0.54 0.00 0.00 174.62 176.35 2hxb h ASN 101 N 0.17 0.34 -3.51 3.99 2.35 -1.43 -3.41 115.58 114.08 2hxb h ASN 101 Ca -0.47 -0.07 -0.52 0.00 -0.55 0.00 0.00 56.30 54.69 2hxb h ASN 101 Cb 1.24 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 2hxb h ASN 101 CO 0.55 0.48 0.37 -1.61 -1.65 0.00 0.00 177.43 175.57 2hxb s GLU 102 N -4.79 4.65 -0.13 0.81 8.01 -1.26 -4.58 118.70 121.41 2hxb s GLU 102 Ca -0.06 1.45 -0.12 0.00 0.01 0.00 0.00 54.97 56.25 2hxb s GLU 102 Cb 0.15 -3.40 -0.05 0.00 -4.31 0.00 0.00 34.13 26.52 2hxb s GLU 102 CO 0.75 0.12 0.26 -0.47 0.01 0.00 0.00 175.26 175.93 2hxb s TYR 103 N 0.35 3.53 0.09 1.61 5.04 0.10 -4.11 117.35 123.95 2hxb s TYR 103 Ca 0.49 0.62 0.07 0.00 -2.44 0.00 0.00 57.07 55.81 2hxb s TYR 103 Cb -0.23 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.83 2hxb s TYR 103 CO 0.29 0.42 -0.19 0.96 -1.34 0.00 0.00 175.55 175.70 2hxb s ILE 104 N -0.14 1.54 -0.05 3.14 -4.36 -0.10 -1.23 121.20 120.00 2hxb s ILE 104 Ca 0.16 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 2hxb s ILE 104 Cb -0.13 -1.41 0.01 0.00 1.25 0.00 0.00 42.46 42.19 2hxb s ILE 104 CO 0.05 -0.06 -0.10 -1.61 0.24 0.00 0.00 174.94 173.46 2hxb s GLU 105 N -1.75 1.31 -0.07 0.37 2.02 -0.62 -1.31 118.70 118.65 2hxb s GLU 105 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2hxb s GLU 105 Cb -0.10 -1.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.95 2hxb s GLU 105 CO 0.03 0.03 -0.06 -0.51 0.02 0.00 0.00 175.26 174.77 2hxb s LEU 106 N 0.59 3.20 0.00 1.80 1.43 -0.57 -1.19 118.68 123.94 2hxb s LEU 106 Ca -0.11 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2hxb s LEU 106 Cb -0.14 -1.70 0.14 0.00 0.03 0.00 0.00 46.19 44.52 2hxb s LEU 106 CO 0.02 0.36 0.84 -0.81 0.23 0.00 0.00 176.35 176.99 2hxb n PRO 107 N 2.25 -0.69 0.00 1.29 -0.04 -1.23 -1.94 135.00 134.63 2hxb n PRO 107 Ca -0.18 -1.43 0.12 0.00 -0.04 0.00 0.00 63.50 61.97 2hxb n PRO 107 Cb 0.53 -0.82 0.59 0.00 -0.04 0.00 0.00 33.50 33.76 2hxb n PRO 107 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hxb n ASN 108 N -3.46 0.00 -0.11 3.54 0.23 -1.26 -2.34 115.26 111.85 2hxb n ASN 108 Ca 0.11 0.01 0.04 0.00 -0.53 0.00 0.00 54.58 54.21 2hxb n ASN 108 Cb 0.38 -0.31 0.07 0.00 -2.08 0.00 0.00 39.78 37.84 2hxb n ASN 108 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2hxb n ASP 109 N -1.31 2.27 -3.98 0.53 5.75 -1.26 -1.36 116.55 117.19 2hxb n ASP 109 Ca 0.11 -2.40 -0.21 0.00 -0.01 0.00 0.00 54.79 52.28 2hxb n ASP 109 Cb 0.20 -0.18 -0.16 0.00 -1.03 0.00 0.00 41.12 39.95 2hxb n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2hxb s ILE 110 N -1.69 0.77 0.04 2.12 -1.09 -1.19 -1.28 121.20 118.88 2hxb s ILE 110 Ca 0.14 -0.32 0.06 0.00 -2.23 0.00 0.00 60.65 58.30 2hxb s ILE 110 Cb 0.11 -0.71 -0.03 0.00 -1.58 0.00 0.00 42.46 40.25 2hxb s ILE 110 CO 0.03 0.25 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.29 2hxb s SER 111 N 0.42 4.02 0.22 3.58 0.15 -0.34 -3.53 113.70 118.22 2hxb s SER 111 Ca -0.07 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.32 2hxb s SER 111 Cb -0.11 -0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 63.43 2hxb s SER 111 CO 0.01 0.25 -0.19 0.00 1.20 0.00 0.00 173.24 174.51 2hxb s ALA 112 N -0.97 2.71 -0.09 5.45 0.00 -1.15 -0.12 121.76 127.60 2hxb s ALA 112 Ca 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2hxb s ALA 112 Cb -0.11 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2hxb s ALA 112 CO 0.07 0.38 -0.07 -1.14 0.00 0.00 0.00 175.76 175.00 2hxb s GLN 113 N -3.01 1.37 0.06 0.00 0.74 0.45 -0.26 119.66 119.01 2hxb s GLN 113 Ca 0.25 -0.22 -0.26 0.00 0.05 0.00 0.00 55.36 55.17 2hxb s GLN 113 Cb -0.07 -1.38 -0.06 0.00 1.10 0.00 0.00 33.01 32.60 2hxb s GLN 113 CO 0.13 -0.19 0.82 -0.47 -0.55 0.00 0.00 175.29 175.03 2hxb s TYR 114 N 1.43 3.76 0.02 1.67 6.14 -0.87 -1.38 117.35 128.10 2hxb s TYR 114 Ca -0.01 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.28 2hxb s TYR 114 Cb -0.13 -2.89 -0.01 0.00 0.42 0.00 0.00 41.96 39.35 2hxb s TYR 114 CO -0.04 0.25 -0.05 1.14 0.64 0.00 0.00 175.55 177.49 2hxb s GLN 115 N -0.02 0.35 0.58 4.97 -2.07 -0.39 -4.62 119.66 118.45 2hxb s GLN 115 Ca 0.41 -0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 53.36 2hxb s GLN 115 Cb -0.21 -0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 2hxb s GLN 115 CO 0.25 0.03 1.06 0.20 -1.32 0.00 0.00 175.29 175.51 2hxb s GLY 116 N -0.86 2.18 0.52 2.60 0.00 -1.26 -0.91 107.32 109.59 2hxb s GLY 116 Ca -0.06 0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 2hxb s GLY 116 CO -0.00 0.75 1.34 -2.13 0.00 0.00 0.00 173.10 173.05 2hxb n ARG 117 N -1.89 1.77 0.10 2.90 0.63 -0.67 -4.79 116.66 114.71 2hxb n ARG 117 Ca 0.09 0.64 -0.02 0.00 -0.92 0.00 0.00 57.85 57.64 2hxb n ARG 117 Cb 0.53 -2.54 -0.04 0.00 0.45 0.00 0.00 32.46 30.86 2hxb n ARG 117 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2hxb h SER 118 N 1.60 0.00 0.19 6.15 4.64 -1.93 -2.51 113.55 121.69 2hxb h SER 118 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 2hxb h SER 118 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2hxb h SER 118 CO 0.58 0.75 -0.20 0.77 -0.87 0.00 0.00 176.83 177.86 2hxb h SER 119 N 0.00 0.02 0.49 4.97 4.64 -1.99 -1.47 113.55 120.21 2hxb h SER 119 Ca -0.01 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 2hxb h SER 119 Cb 1.57 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 2hxb h SER 119 CO 0.10 0.23 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.38 2hxb h LEU 120 N 0.02 0.32 -1.30 5.97 3.38 -1.79 -3.08 115.31 118.83 2hxb h LEU 120 Ca 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2hxb h LEU 120 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2hxb h LEU 120 CO 0.03 1.02 -0.03 1.23 0.09 0.00 0.00 178.44 180.77 2hxb h GLY 121 N 1.66 0.46 2.00 0.83 0.00 -1.01 -0.45 103.07 106.56 2hxb h GLY 121 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2hxb h GLY 121 CO 0.13 0.25 0.00 3.21 0.00 0.00 0.00 176.54 180.13 2hxb h ARG 122 N 0.41 0.00 -0.49 4.80 3.08 -1.20 -1.43 114.38 119.55 2hxb h ARG 122 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2hxb h ARG 122 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2hxb h ARG 122 CO 0.01 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.24 2hxb n VAL 123 N -2.92 2.29 -2.41 2.04 0.24 -0.81 -4.97 118.33 111.79 2hxb n VAL 123 Ca 0.02 -1.46 -0.13 0.00 -2.04 0.00 0.00 64.34 60.73 2hxb n VAL 123 Cb 0.35 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 2hxb n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2hxb n PHE 124 N 0.43 -0.81 -3.71 6.34 3.72 -0.54 -4.68 117.46 118.21 2hxb n PHE 124 Ca 0.24 0.12 -0.37 0.00 -0.05 0.00 0.00 57.45 57.39 2hxb n PHE 124 Cb 0.99 -2.89 -0.12 0.00 -0.94 0.00 0.00 39.48 36.51 2hxb n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2hxb s LEU 125 N -3.80 3.74 -0.01 4.37 1.98 -0.25 -0.64 118.68 124.07 2hxb s LEU 125 Ca 0.07 -0.36 0.01 0.00 -2.89 0.00 0.00 54.13 50.95 2hxb s LEU 125 Cb -0.03 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.83 2hxb s LEU 125 CO 0.08 -0.11 0.01 0.42 -1.89 0.00 0.00 176.35 174.86 2hxb s THR 126 N 1.61 4.21 -0.52 3.68 -4.23 -0.35 -3.50 115.64 116.54 2hxb s THR 126 Ca 0.05 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 2hxb s THR 126 Cb -0.16 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 70.94 2hxb s THR 126 CO 0.05 0.41 1.02 -1.54 -0.54 0.00 0.00 174.62 174.01 2hxb n SER 127 N 1.48 2.23 -3.71 3.99 3.41 -1.25 -1.10 113.62 118.67 2hxb n SER 127 Ca -0.15 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.51 2hxb n SER 127 Cb 0.53 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 2hxb n SER 127 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2hxb s HIS 128 N -0.87 -0.50 -0.20 7.33 2.46 -1.06 -1.15 115.29 121.30 2hxb s HIS 128 Ca 0.10 1.19 -0.16 0.00 0.47 0.00 0.00 55.06 56.67 2hxb s HIS 128 Cb 0.06 0.18 -0.09 0.00 -0.13 0.00 0.00 32.58 32.59 2hxb s HIS 128 CO 0.08 -0.27 -0.20 1.04 -2.47 0.00 0.00 174.74 172.91 2hxb n GLN 129 N 2.66 0.53 -1.52 2.88 1.13 -1.26 -4.97 117.38 116.84 2hxb n GLN 129 Ca -0.14 0.37 -0.30 0.00 -1.94 0.00 0.00 57.00 54.99 2hxb n GLN 129 Cb 0.57 -1.57 0.09 0.00 0.11 0.00 0.00 30.24 29.44 2hxb n GLN 129 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2hxb s THR 130 N -2.54 3.04 0.65 5.09 -4.23 -1.26 -4.93 115.64 111.46 2hxb s THR 130 Ca -0.28 0.34 0.37 0.00 -1.18 0.00 0.00 61.69 60.93 2hxb s THR 130 Cb 0.07 -3.06 0.38 0.00 1.34 0.00 0.00 72.50 71.23 2hxb s THR 130 CO 0.43 -0.44 2.18 0.00 -0.54 0.00 0.00 174.62 176.25 2hxb h ALA 131 N -1.12 1.28 -1.83 3.99 0.00 -1.93 -3.46 119.26 116.17 2hxb h ALA 131 Ca -0.47 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2hxb h ALA 131 Cb 1.27 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.08 2hxb h ALA 131 CO 0.59 -0.15 -0.22 0.41 0.00 0.00 0.00 179.25 179.87 2hxb n GLY 132 N -1.19 0.20 3.77 0.00 0.00 -1.26 -4.56 105.19 102.14 2hxb n GLY 132 Ca -0.02 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2hxb n GLY 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hxb s TRP 133 N -2.70 2.75 -0.06 1.61 0.52 -1.26 -2.06 118.94 117.74 2hxb s TRP 133 Ca 0.09 1.53 0.04 0.00 0.02 0.00 0.00 56.10 57.78 2hxb s TRP 133 Cb -0.04 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 2hxb s TRP 133 CO 0.12 -1.65 -0.16 0.42 0.02 0.00 0.00 176.95 175.70 2hxb s ILE 134 N -1.61 1.41 0.46 2.03 1.01 0.64 -4.97 121.20 120.18 2hxb s ILE 134 Ca 0.68 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 2hxb s ILE 134 Cb -0.28 -1.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 2hxb s ILE 134 CO 0.33 0.41 1.29 -1.81 0.00 0.00 0.00 174.94 175.16 2hxb s ASP 135 N 0.29 5.97 0.33 3.58 1.01 -1.26 -2.93 116.67 123.65 2hxb s ASP 135 Ca -0.09 2.62 -0.27 0.00 0.71 0.00 0.00 52.55 55.52 2hxb s ASP 135 Cb -0.14 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 41.03 2hxb s ASP 135 CO 0.04 -1.08 0.96 0.00 0.21 0.00 0.00 175.17 175.30 2hxb n ALA 136 N -0.35 -0.29 -0.40 5.23 0.00 -1.23 -1.87 120.51 121.61 2hxb n ALA 136 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2hxb n ALA 136 Cb 0.45 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2hxb n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hxb n GLY 137 N 1.27 1.70 3.70 0.00 0.00 -0.82 -4.92 105.19 106.12 2hxb n GLY 137 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2hxb n GLY 137 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2hxb n PHE 138 N -2.00 1.99 -3.95 1.61 7.35 -0.78 -4.71 117.46 116.96 2hxb n PHE 138 Ca 0.00 0.48 -0.19 0.00 -0.76 0.00 0.00 57.45 56.98 2hxb n PHE 138 Cb 0.00 -2.34 -0.16 0.00 0.35 0.00 0.00 39.48 37.32 2hxb n PHE 138 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2hxb s LYS 139 N -2.43 0.46 0.00 -4.13 1.02 -1.26 -1.52 119.74 111.88 2hxb s LYS 139 Ca 0.65 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.69 2hxb s LYS 139 Cb -0.48 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 2hxb s LYS 139 CO 0.55 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2hxb n GLY 140 N 4.31 1.45 3.83 -3.33 0.00 -0.42 -4.99 105.19 106.03 2hxb n GLY 140 Ca -0.22 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2hxb n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxb s LYS 141 N -1.81 2.71 -0.16 1.61 1.02 -1.26 -0.92 119.74 120.92 2hxb s LYS 141 Ca 0.00 0.74 -0.09 0.00 0.02 0.00 0.00 55.97 56.64 2hxb s LYS 141 Cb 0.00 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 2hxb s LYS 141 CO 0.00 -1.21 0.14 0.42 -0.92 0.00 0.00 175.35 173.79 2hxb s ILE 142 N -3.15 5.45 0.00 2.17 1.01 -1.26 -4.93 121.20 120.49 2hxb s ILE 142 Ca 0.59 0.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.20 2hxb s ILE 142 Cb -0.13 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2hxb s ILE 142 CO 0.54 0.52 0.77 -0.89 0.00 0.00 0.00 174.94 175.88 2hxb s THR 143 N -0.29 4.85 -0.15 2.92 2.01 -1.26 -1.33 115.64 122.39 2hxb s THR 143 Ca 0.12 1.62 -0.06 0.00 0.31 0.00 0.00 61.69 63.67 2hxb s THR 143 Cb -0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2hxb s THR 143 CO 0.01 0.30 0.07 -0.76 -0.69 0.00 0.00 174.62 173.55 2hxb s LEU 144 N 0.34 3.90 -0.54 4.42 1.43 -0.25 -4.93 118.68 123.05 2hxb s LEU 144 Ca 0.40 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2hxb s LEU 144 Cb -0.20 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.20 2hxb s LEU 144 CO 0.22 0.27 0.35 -1.61 0.23 0.00 0.00 176.35 175.81 2hxb s GLU 145 N -0.20 2.37 -0.24 1.70 2.02 -0.30 -0.54 118.70 123.52 2hxb s GLU 145 Ca 0.08 -2.20 -0.15 0.00 0.02 0.00 0.00 54.97 52.72 2hxb s GLU 145 Cb -0.12 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 2hxb s GLU 145 CO 0.01 -1.14 0.36 0.42 0.02 0.00 0.00 175.26 174.93 2hxb s ILE 146 N 0.51 5.20 -0.03 -1.63 1.01 0.15 -2.55 121.20 123.86 2hxb s ILE 146 Ca 0.13 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 2hxb s ILE 146 Cb -0.21 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2hxb s ILE 146 CO -0.04 0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.48 2hxb s VAL 147 N 1.66 -0.03 -0.16 2.92 1.01 -0.26 -1.43 120.40 124.11 2hxb s VAL 147 Ca 0.16 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 2hxb s VAL 147 Cb -0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2hxb s VAL 147 CO 0.09 0.05 0.22 0.00 0.00 0.00 0.00 175.10 175.45 2hxb s ALA 148 N 0.63 3.67 -1.14 5.51 0.00 -1.26 -1.21 121.76 127.96 2hxb s ALA 148 Ca -0.05 -0.55 0.13 0.00 0.00 0.00 0.00 51.96 51.49 2hxb s ALA 148 Cb -0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2hxb s ALA 148 CO -0.02 0.20 0.73 1.19 0.00 0.00 0.00 175.76 177.86 2hxb n PHE 149 N 3.26 0.00 0.00 0.00 3.72 0.19 -3.89 117.46 120.74 2hxb n PHE 149 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2hxb n PHE 149 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2hxb n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2hxb n ASP 150 N -0.36 0.00 -4.36 4.37 2.03 -1.26 -5.04 116.55 111.93 2hxb n ASP 150 Ca 0.05 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.18 2hxb n ASP 150 Cb 0.27 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.57 2hxb n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2hxb s LYS 151 N -0.65 1.48 0.47 -0.67 1.02 -1.26 -4.90 119.74 115.23 2hxb s LYS 151 Ca 0.00 -1.80 -0.23 0.00 0.02 0.00 0.00 55.97 53.95 2hxb s LYS 151 Cb 0.00 -0.47 -0.08 0.00 -0.52 0.00 0.00 37.83 36.76 2hxb s LYS 151 CO 0.00 -0.25 1.15 -2.30 -0.92 0.00 0.00 175.35 173.03 2hxb n PRO 152 N -0.53 1.54 -4.68 -1.68 -0.02 -1.26 -4.66 135.00 123.71 2hxb n PRO 152 Ca -0.01 0.56 -0.25 0.00 -2.02 0.00 0.00 63.50 61.77 2hxb n PRO 152 Cb 0.66 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 2hxb n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hxb s VAL 153 N -1.29 1.25 -0.05 -1.45 1.01 -0.40 -4.92 120.40 114.55 2hxb s VAL 153 Ca 0.66 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2hxb s VAL 153 Cb -0.49 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2hxb s VAL 153 CO 0.54 0.38 0.75 -0.63 0.00 0.00 0.00 175.10 176.14 2hxb s ILE 154 N 0.44 5.00 0.13 2.22 1.01 -1.26 -0.78 121.20 127.95 2hxb s ILE 154 Ca -0.11 1.56 0.10 0.00 0.00 0.00 0.00 60.65 62.20 2hxb s ILE 154 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2hxb s ILE 154 CO 0.03 0.24 -0.23 -0.76 0.00 0.00 0.00 174.94 174.23 2hxb s LEU 155 N 0.78 2.48 -0.06 2.97 1.43 -0.14 -4.97 118.68 121.17 2hxb s LEU 155 Ca 0.40 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2hxb s LEU 155 Cb -0.18 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2hxb s LEU 155 CO 0.20 0.18 -0.14 -0.31 0.23 0.00 0.00 176.35 176.51 2hxb s TYR 156 N -1.11 2.73 0.04 0.29 2.02 -1.26 -1.29 117.35 118.77 2hxb s TYR 156 Ca 0.16 -0.18 -0.37 0.00 -0.37 0.00 0.00 57.07 56.32 2hxb s TYR 156 Cb -0.10 -1.65 -0.16 0.00 -0.40 0.00 0.00 41.96 39.65 2hxb s TYR 156 CO 0.08 0.17 1.46 1.17 -1.57 0.00 0.00 175.55 176.86 2hxb n LYS 157 N 2.39 1.39 -0.93 -0.62 4.81 0.19 -2.08 118.16 123.29 2hxb n LYS 157 Ca -0.17 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2hxb n LYS 157 Cb 0.52 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2hxb n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2hxb n ASN 158 N 3.26 -3.01 -4.74 3.14 3.02 0.39 -4.97 115.26 112.36 2hxb n ASN 158 Ca 0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.41 2hxb n ASN 158 Cb 0.21 -1.60 0.08 0.00 -0.61 0.00 0.00 39.78 37.86 2hxb n ASN 158 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hxb s GLN 159 N -0.74 2.31 0.02 3.52 -2.07 -0.88 -4.40 119.66 117.41 2hxb s GLN 159 Ca 0.00 1.54 -0.34 0.00 -1.82 0.00 0.00 55.36 54.74 2hxb s GLN 159 Cb 0.00 -1.88 -0.13 0.00 -1.09 0.00 0.00 33.01 29.92 2hxb s GLN 159 CO 0.00 -1.66 1.75 0.54 -1.32 0.00 0.00 175.29 174.60 2hxb n ARG 160 N -2.81 2.19 -0.03 9.60 1.74 -1.26 -0.93 116.66 125.16 2hxb n ARG 160 Ca 0.12 0.80 -0.02 0.00 -0.77 0.00 0.00 57.85 57.97 2hxb n ARG 160 Cb 0.51 -2.61 -0.05 0.00 -1.02 0.00 0.00 32.46 29.29 2hxb n ARG 160 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2hxb n ILE 161 N 4.41 0.36 -2.70 0.55 0.13 -0.27 -4.88 119.36 116.96 2hxb n ILE 161 Ca 0.20 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 2hxb n ILE 161 Cb 0.29 -0.66 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 2hxb n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2hxb n GLY 162 N 2.54 1.35 3.48 4.50 0.00 -1.16 -1.67 105.19 114.23 2hxb n GLY 162 Ca -0.09 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 2hxb n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hxb s GLN 163 N 1.02 1.01 -0.17 1.61 -2.07 -0.08 -0.19 119.66 120.79 2hxb s GLN 163 Ca 0.00 0.19 -0.08 0.00 -1.82 0.00 0.00 55.36 53.65 2hxb s GLN 163 Cb 0.00 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 2hxb s GLN 163 CO 0.00 -0.31 0.11 -0.51 -1.32 0.00 0.00 175.29 173.26 2hxb s LEU 164 N -1.23 4.12 -0.14 2.60 1.43 0.77 -1.26 118.68 124.98 2hxb s LEU 164 Ca -0.11 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2hxb s LEU 164 Cb -0.01 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2hxb s LEU 164 CO 0.09 0.24 -0.07 -0.63 0.23 0.00 0.00 176.35 176.21 2hxb s ILE 165 N 0.00 3.60 -0.10 -0.59 1.09 -0.48 -0.94 121.20 123.79 2hxb s ILE 165 Ca 0.09 -0.47 -0.00 0.00 -1.10 0.00 0.00 60.65 59.17 2hxb s ILE 165 Cb -0.12 -2.55 -0.03 0.00 -1.06 0.00 0.00 42.46 38.71 2hxb s ILE 165 CO 0.00 0.51 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.91 2hxb s PHE 166 N 0.23 2.90 -0.01 3.97 0.08 -1.26 -0.41 117.98 123.48 2hxb s PHE 166 Ca -0.05 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.84 2hxb s PHE 166 Cb -0.14 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2hxb s PHE 166 CO 0.04 0.12 -0.13 0.45 -0.10 0.00 0.00 175.22 175.60 2hxb s SER 167 N -0.31 1.53 0.34 1.36 0.15 0.83 -1.08 113.70 116.52 2hxb s SER 167 Ca 0.04 -0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.18 2hxb s SER 167 Cb -0.13 -0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 63.89 2hxb s SER 167 CO 0.02 0.15 1.22 -0.54 1.20 0.00 0.00 173.24 175.29 2hxb s LYS 168 N -0.24 4.33 0.47 5.44 -0.14 -0.08 -1.20 119.74 128.31 2hxb s LYS 168 Ca 0.04 2.01 -0.13 0.00 -1.36 0.00 0.00 55.97 56.53 2hxb s LYS 168 Cb -0.06 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.05 2hxb s LYS 168 CO -0.00 -0.14 0.89 -0.51 -0.76 0.00 0.00 175.35 174.83 2hxb s LEU 169 N -1.92 3.69 0.38 3.17 1.43 -0.40 -4.18 118.68 120.85 2hxb s LEU 169 Ca 0.50 1.34 0.09 0.00 -1.03 0.00 0.00 54.13 55.03 2hxb s LEU 169 Cb -0.35 -4.26 0.77 0.00 0.03 0.00 0.00 46.19 42.37 2hxb s LEU 169 CO 0.46 -0.52 1.92 0.25 0.23 0.00 0.00 176.35 178.69 2hxb h LEU 170 N 0.96 0.27 -7.53 1.79 5.85 -1.96 -3.45 115.31 111.24 2hxb h LEU 170 Ca -0.47 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 2hxb h LEU 170 Cb 1.19 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2hxb h LEU 170 CO 0.63 0.40 -0.14 -0.44 -0.34 0.00 0.00 178.44 178.55 2hxb s SER 171 N -6.85 -0.15 0.50 1.25 0.01 -1.26 -5.15 113.70 102.04 2hxb s SER 171 Ca -0.06 -0.42 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 2hxb s SER 171 Cb 0.16 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.77 2hxb s SER 171 CO 0.74 -0.84 1.17 -2.16 0.41 0.00 0.00 173.24 172.55 2hxb s PRO 172 N -3.83 3.55 0.36 12.44 0.04 -1.26 -4.80 135.00 141.50 2hxb s PRO 172 Ca 0.04 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 2hxb s PRO 172 Cb 0.02 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2hxb s PRO 172 CO -0.11 -0.72 0.60 0.00 0.04 0.00 0.00 177.00 176.82 2hxb s ALA 173 N -1.60 3.61 -0.64 8.56 0.00 -0.46 -5.01 121.76 126.21 2hxb s ALA 173 Ca 0.68 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2hxb s ALA 173 Cb -0.28 -2.27 0.06 0.00 0.00 0.00 0.00 23.12 20.63 2hxb s ALA 173 CO 0.33 -0.02 0.98 -0.51 0.00 0.00 0.00 175.76 176.55 2hxb s ASP 174 N -3.80 6.21 0.00 0.00 1.01 -1.26 -4.87 116.67 113.96 2hxb s ASP 174 Ca 0.43 -0.80 0.29 0.00 0.71 0.00 0.00 52.55 53.18 2hxb s ASP 174 Cb -0.10 -2.43 1.76 0.00 1.01 0.00 0.00 42.92 43.15 2hxb s ASP 174 CO 0.36 -1.43 2.09 1.33 0.21 0.00 0.00 175.17 177.74