#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3daa s TYR 2 N 0.00 2.34 0.02 1.61 1.51 -1.26 -0.87 117.35 120.70 3daa s TYR 2 Ca 0.00 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 55.72 3daa s TYR 2 Cb 0.00 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3daa s TYR 2 CO 0.00 0.00 -0.26 0.99 -1.11 0.00 0.00 175.55 175.18 3daa s THR 3 N -0.66 2.05 -0.35 -0.71 2.01 0.39 -4.63 115.64 113.74 3daa s THR 3 Ca 0.10 -1.26 -0.25 0.00 0.31 0.00 0.00 61.69 60.59 3daa s THR 3 Cb -0.10 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.68 3daa s THR 3 CO -0.00 0.43 0.87 -0.22 -0.69 0.00 0.00 174.62 175.01 3daa s LEU 4 N -0.99 4.04 -0.30 4.42 2.96 0.14 -1.40 118.68 127.55 3daa s LEU 4 Ca 0.11 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 3daa s LEU 4 Cb -0.10 -3.19 0.08 0.00 0.50 0.00 0.00 46.19 43.48 3daa s LEU 4 CO 0.01 -0.77 -0.03 0.86 -1.32 0.00 0.00 176.35 175.10 3daa s TRP 5 N 3.27 3.46 0.00 5.38 -0.00 0.25 -1.28 118.94 130.03 3daa s TRP 5 Ca 0.36 -2.55 0.00 0.00 -0.00 0.00 0.00 56.10 53.91 3daa s TRP 5 Cb -0.13 -2.36 0.00 0.00 -0.00 0.00 0.00 33.47 30.98 3daa s TRP 5 CO 0.16 -0.90 0.00 0.09 -0.00 0.00 0.00 176.95 176.30 3daa n ASN 6 N 4.39 0.00 -0.49 5.86 3.02 0.37 -1.59 115.26 126.81 3daa n ASN 6 Ca -0.07 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.55 3daa n ASN 6 Cb 0.42 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.76 3daa n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3daa n ASP 7 N 11.05 2.99 -4.59 6.41 5.75 -1.26 -4.77 116.55 132.13 3daa n ASP 7 Ca 0.00 -2.63 -0.26 0.00 -0.01 0.00 0.00 54.79 51.88 3daa n ASP 7 Cb 0.00 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 3daa n ASP 7 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3daa s GLN 8 N -2.12 2.14 -0.34 0.11 -1.52 -0.62 -5.09 119.66 112.22 3daa s GLN 8 Ca 0.28 -1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 52.37 3daa s GLN 8 Cb 0.22 -2.19 0.04 0.00 -0.22 0.00 0.00 33.01 30.86 3daa s GLN 8 CO 0.08 0.43 0.11 0.42 -0.25 0.00 0.00 175.29 176.07 3daa s ILE 9 N -1.78 3.74 0.27 1.08 -1.09 -1.26 -0.58 121.20 121.57 3daa s ILE 9 Ca 0.26 -1.18 0.08 0.00 -2.23 0.00 0.00 60.65 57.59 3daa s ILE 9 Cb -0.09 -3.14 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3daa s ILE 9 CO 0.16 -0.20 -0.12 0.68 -1.23 0.00 0.00 174.94 174.24 3daa s VAL 10 N 1.39 1.91 0.42 2.92 -7.23 -0.50 -4.95 120.40 114.36 3daa s VAL 10 Ca -0.01 -2.22 -0.25 0.00 -1.81 0.00 0.00 61.98 57.69 3daa s VAL 10 Cb -0.20 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 3daa s VAL 10 CO 0.02 -0.39 1.26 -0.54 -0.31 0.00 0.00 175.10 175.14 3daa s LYS 11 N -3.65 3.88 0.27 4.82 1.02 -1.26 -0.46 119.74 124.36 3daa s LYS 11 Ca 0.28 2.04 -0.03 0.00 0.02 0.00 0.00 55.97 58.28 3daa s LYS 11 Cb 0.01 -2.64 0.57 0.00 -0.52 0.00 0.00 37.83 35.24 3daa s LYS 11 CO 0.12 -0.53 1.62 -0.44 -0.92 0.00 0.00 175.35 175.20 3daa h ASP 12 N 2.47 -0.33 0.21 2.83 3.32 -1.34 -1.56 116.42 122.03 3daa h ASP 12 Ca -0.49 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3daa h ASP 12 Cb 1.25 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3daa h ASP 12 CO 0.62 -0.22 0.00 -0.62 -1.72 0.00 0.00 179.24 177.30 3daa n GLU 13 N -5.37 0.12 0.14 3.56 4.71 -1.26 -2.80 120.64 119.74 3daa n GLU 13 Ca 0.18 0.54 0.08 0.00 -0.01 0.00 0.00 57.16 57.94 3daa n GLU 13 Cb 0.59 -1.84 0.05 0.00 -1.01 0.00 0.00 31.44 29.23 3daa n GLU 13 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3daa h GLU 14 N 0.00 0.00 -6.28 3.49 4.39 -1.64 -3.47 114.58 111.07 3daa h GLU 14 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3daa h GLU 14 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3daa h GLU 14 CO 0.00 0.15 0.70 0.08 -1.16 0.00 0.00 179.01 178.78 3daa s VAL 15 N -3.16 4.35 0.00 3.13 1.01 -1.12 -5.04 120.40 119.57 3daa s VAL 15 Ca 0.02 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.67 3daa s VAL 15 Cb 0.08 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 3daa s VAL 15 CO 0.75 -0.02 -0.00 -1.59 0.00 0.00 0.00 175.10 174.23 3daa s LYS 16 N 2.33 0.04 -0.13 2.72 0.00 -1.26 -5.12 119.74 118.32 3daa s LYS 16 Ca 0.54 -0.04 -0.06 0.00 0.00 0.00 0.00 55.97 56.40 3daa s LYS 16 Cb -0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 37.83 37.55 3daa s LYS 16 CO 0.20 0.00 0.10 0.42 0.00 0.00 0.00 175.35 176.08 3daa s ILE 17 N -0.09 5.19 0.24 3.79 -1.09 -1.26 -5.09 121.20 122.88 3daa s ILE 17 Ca -0.01 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 3daa s ILE 17 Cb -0.01 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.52 3daa s ILE 17 CO -0.00 0.58 1.03 -0.62 -1.23 0.00 0.00 174.94 174.70 3daa s ASP 18 N -0.73 7.44 0.64 3.58 -1.08 -1.26 -4.92 116.67 120.33 3daa s ASP 18 Ca 0.13 2.09 0.37 0.00 -0.52 0.00 0.00 52.55 54.62 3daa s ASP 18 Cb -0.12 -2.61 2.09 0.00 -1.46 0.00 0.00 42.92 40.81 3daa s ASP 18 CO 0.03 -0.02 2.26 0.07 0.52 0.00 0.00 175.17 178.02 3daa h LYS 19 N 4.22 0.00 -0.55 4.34 2.10 -2.01 -0.35 116.57 124.32 3daa h LYS 19 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3daa h LYS 19 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3daa h LYS 19 CO 0.68 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.52 3daa n GLU 20 N -3.37 4.39 -2.24 0.07 1.02 -1.26 -4.63 120.64 114.62 3daa n GLU 20 Ca -0.02 -3.06 -0.42 0.00 -0.02 0.00 0.00 57.16 53.64 3daa n GLU 20 Cb 0.14 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 3daa n GLU 20 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3daa s ASP 21 N -0.97 6.88 0.48 1.62 -1.08 -0.15 -2.74 116.67 120.72 3daa s ASP 21 Ca 0.52 2.19 0.32 0.00 -0.52 0.00 0.00 52.55 55.07 3daa s ASP 21 Cb 0.39 -2.58 1.70 0.00 -1.46 0.00 0.00 42.92 40.97 3daa s ASP 21 CO 0.17 -0.64 1.99 0.03 0.52 0.00 0.00 175.17 177.24 3daa h ARG 22 N 7.15 0.00 0.00 4.34 3.08 -1.51 -0.15 114.38 127.28 3daa h ARG 22 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3daa h ARG 22 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3daa h ARG 22 CO 0.87 0.00 -0.09 0.78 -1.07 0.00 0.00 179.97 180.45 3daa h GLY 23 N 0.33 0.00 0.71 0.04 0.00 -1.83 -0.38 103.07 101.95 3daa h GLY 23 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3daa h GLY 23 CO 0.00 0.00 -1.70 2.98 0.00 0.00 0.00 176.54 177.82 3daa n TYR 24 N -3.15 0.72 -0.03 5.60 9.36 -0.10 -2.90 117.16 126.66 3daa n TYR 24 Ca 0.03 0.24 0.05 0.00 3.32 0.00 0.00 57.90 61.54 3daa n TYR 24 Cb 0.49 -1.04 -0.15 0.00 -0.63 0.00 0.00 39.34 38.02 3daa n TYR 24 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3daa n GLN 25 N -2.83 0.71 0.00 2.98 6.02 -1.01 -4.71 117.38 118.54 3daa n GLN 25 Ca -0.15 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 3daa n GLN 25 Cb 0.91 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3daa n GLN 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3daa n PHE 26 N -2.34 0.00 -1.94 1.08 3.72 -0.20 -4.98 117.46 112.80 3daa n PHE 26 Ca -0.11 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.15 3daa n PHE 26 Cb 0.69 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.20 3daa n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3daa n GLY 27 N 0.48 0.39 3.36 1.37 0.00 -0.92 -4.88 105.19 105.00 3daa n GLY 27 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3daa n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3daa n ASP 28 N -0.42 4.47 -3.63 1.61 2.03 -0.94 -3.77 116.55 115.91 3daa n ASP 28 Ca -0.15 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.28 3daa n ASP 28 Cb 0.56 -1.71 -0.01 0.00 -0.72 0.00 0.00 41.12 39.24 3daa n ASP 28 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3daa s GLY 29 N 4.17 -0.38 0.24 0.27 0.00 -1.26 -1.97 107.32 108.39 3daa s GLY 29 Ca 0.53 0.75 0.07 0.00 0.00 0.00 0.00 44.72 46.07 3daa s GLY 29 CO 0.04 0.16 -0.09 -1.34 0.00 0.00 0.00 173.10 171.88 3daa s VAL 30 N -2.53 1.63 0.28 1.40 -7.23 -0.51 -1.12 120.40 112.32 3daa s VAL 30 Ca 0.13 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 3daa s VAL 30 Cb 0.03 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 3daa s VAL 30 CO -0.03 -0.43 0.44 -0.72 -0.31 0.00 0.00 175.10 174.05 3daa s TYR 31 N -3.03 0.76 0.07 2.82 1.13 -0.66 -1.77 117.35 116.66 3daa s TYR 31 Ca 0.26 -1.05 -0.11 0.00 -1.41 0.00 0.00 57.07 54.76 3daa s TYR 31 Cb 0.02 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.88 3daa s TYR 31 CO 0.09 -1.02 0.25 -1.21 -2.51 0.00 0.00 175.55 171.16 3daa s GLU 32 N -3.60 0.82 -0.07 -3.49 0.41 0.15 -4.87 118.70 108.05 3daa s GLU 32 Ca 0.28 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 3daa s GLU 32 Cb 0.00 0.34 0.02 0.00 -1.78 0.00 0.00 34.13 32.72 3daa s GLU 32 CO 0.14 -0.26 -0.05 0.08 -0.49 0.00 0.00 175.26 174.68 3daa s VAL 33 N -3.13 0.69 -0.13 2.63 1.01 -1.26 -1.75 120.40 118.46 3daa s VAL 33 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3daa s VAL 33 Cb 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3daa s VAL 33 CO -0.07 0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.41 3daa s VAL 34 N 1.30 1.99 0.20 2.92 1.01 0.07 -4.93 120.40 122.96 3daa s VAL 34 Ca -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3daa s VAL 34 Cb -0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 3daa s VAL 34 CO -0.02 0.54 0.91 -0.75 0.00 0.00 0.00 175.10 175.77 3daa s LYS 35 N 0.82 4.77 -0.14 2.72 2.47 -1.26 -0.04 119.74 129.08 3daa s LYS 35 Ca -0.07 1.42 0.01 0.00 -1.56 0.00 0.00 55.97 55.76 3daa s LYS 35 Cb -0.16 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 32.91 3daa s LYS 35 CO -0.01 0.47 -0.16 0.08 0.16 0.00 0.00 175.35 175.88 3daa s VAL 36 N -0.93 2.69 -0.29 4.02 1.01 0.30 -0.89 120.40 126.31 3daa s VAL 36 Ca 0.41 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3daa s VAL 36 Cb -0.25 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3daa s VAL 36 CO 0.30 0.53 -0.03 -0.31 0.00 0.00 0.00 175.10 175.59 3daa s TYR 37 N 0.59 3.24 -1.35 5.22 2.02 0.26 -2.07 117.35 125.26 3daa s TYR 37 Ca -0.09 -1.95 -0.01 0.00 -0.37 0.00 0.00 57.07 54.66 3daa s TYR 37 Cb -0.16 -2.06 -0.00 0.00 -0.40 0.00 0.00 41.96 39.34 3daa s TYR 37 CO 0.03 -0.81 0.57 0.09 -1.57 0.00 0.00 175.55 173.85 3daa n ASN 38 N 4.58 -0.86 0.00 2.29 3.02 -0.14 -1.10 115.26 123.05 3daa n ASN 38 Ca -0.14 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3daa n ASN 38 Cb 0.43 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 3daa n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3daa n GLY 39 N -1.77 0.54 3.38 7.41 0.00 0.18 -4.99 105.19 109.93 3daa n GLY 39 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3daa n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3daa s GLU 40 N -0.35 3.45 -0.10 1.61 0.41 -0.26 -5.04 118.70 118.42 3daa s GLU 40 Ca 0.00 -0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 53.65 3daa s GLU 40 Cb 0.00 -2.87 -0.02 0.00 -1.78 0.00 0.00 34.13 29.46 3daa s GLU 40 CO 0.00 0.04 1.10 -1.64 -0.49 0.00 0.00 175.26 174.27 3daa s MET 41 N 0.86 4.36 -0.02 1.61 -1.94 -1.26 0.90 119.30 123.81 3daa s MET 41 Ca -0.02 1.52 -0.25 0.00 -1.71 0.00 0.00 55.69 55.23 3daa s MET 41 Cb -0.15 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 3daa s MET 41 CO 0.01 -0.43 0.77 0.12 -0.01 0.00 0.00 175.02 175.49 3daa s PHE 42 N 2.33 3.64 -1.52 -0.03 5.36 -0.07 -4.28 117.98 123.41 3daa s PHE 42 Ca 0.51 1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 57.82 3daa s PHE 42 Cb -0.21 -2.87 0.07 0.00 -0.34 0.00 0.00 43.02 39.67 3daa s PHE 42 CO 0.18 0.12 0.17 0.25 -1.46 0.00 0.00 175.22 174.48 3daa n THR 43 N 3.51 -0.64 0.18 0.12 -2.24 -1.26 -4.54 114.28 109.42 3daa n THR 43 Ca -0.00 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 3daa n THR 43 Cb 0.51 -0.78 0.43 0.00 -2.10 0.00 0.00 70.33 68.39 3daa n THR 43 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3daa h VAL 44 N -1.33 1.19 -0.52 2.28 3.04 -1.95 -2.46 116.25 116.50 3daa h VAL 44 Ca -0.59 -0.87 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 3daa h VAL 44 Cb 1.29 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 3daa h VAL 44 CO 0.71 0.25 0.27 0.78 -1.01 0.00 0.00 177.57 178.57 3daa h ASN 45 N 0.06 0.66 -0.47 3.17 -0.26 -1.94 -0.45 115.58 116.35 3daa h ASN 45 Ca 0.01 -0.11 -0.13 0.00 -0.56 0.00 0.00 56.30 55.52 3daa h ASN 45 Cb 0.44 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 3daa h ASN 45 CO 0.03 0.58 -0.20 -0.33 -1.06 0.00 0.00 177.43 176.45 3daa h GLU 46 N 0.70 0.96 -0.44 0.81 3.07 -1.87 -2.04 114.58 115.77 3daa h GLU 46 Ca 0.18 -0.41 -0.12 0.00 -0.50 0.00 0.00 59.36 58.52 3daa h GLU 46 Cb 0.07 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3daa h GLU 46 CO -0.03 1.08 -0.19 0.45 -1.40 0.00 0.00 179.01 178.91 3daa h HIS 47 N 0.81 0.98 -0.38 4.33 3.86 -1.23 -1.77 115.15 121.75 3daa h HIS 47 Ca 0.11 -0.22 -0.16 0.00 -1.16 0.00 0.00 60.37 58.94 3daa h HIS 47 Cb 0.77 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3daa h HIS 47 CO 0.05 0.98 -0.40 0.82 0.86 0.00 0.00 177.93 180.25 3daa h ILE 48 N 0.76 1.27 -0.80 2.45 2.04 -1.07 -1.29 117.51 120.88 3daa h ILE 48 Ca 0.11 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 3daa h ILE 48 Cb 0.73 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3daa h ILE 48 CO 0.06 0.53 0.46 0.44 0.00 0.00 0.00 178.15 179.63 3daa h ASP 49 N 0.75 0.98 -0.17 1.72 3.32 -1.30 -1.80 116.42 119.92 3daa h ASP 49 Ca 0.06 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3daa h ASP 49 Cb 1.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3daa h ASP 49 CO 0.10 0.77 -0.30 -0.09 -1.72 0.00 0.00 179.24 178.00 3daa h ARG 50 N 1.10 0.66 -0.33 3.56 2.43 -1.16 -0.71 114.38 119.94 3daa h ARG 50 Ca 0.28 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3daa h ARG 50 Cb -0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3daa h ARG 50 CO -0.05 0.88 0.19 1.25 -1.51 0.00 0.00 179.97 180.73 3daa h LEU 51 N 0.57 0.31 -1.05 3.80 5.85 -0.55 0.25 115.31 124.49 3daa h LEU 51 Ca 0.07 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3daa h LEU 51 Cb 0.80 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3daa h LEU 51 CO 0.07 0.22 -0.33 1.88 -0.34 0.00 0.00 178.44 179.94 3daa h TYR 52 N 0.39 0.30 -0.22 1.25 -1.99 -1.21 -1.83 116.97 113.65 3daa h TYR 52 Ca 0.13 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 3daa h TYR 52 Cb 0.00 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.66 3daa h TYR 52 CO -0.08 0.57 -0.21 0.00 -0.00 0.00 0.00 178.16 178.44 3daa h ALA 53 N 1.43 0.33 -0.61 3.88 0.00 -0.35 -0.45 119.26 123.49 3daa h ALA 53 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3daa h ALA 53 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3daa h ALA 53 CO 0.05 0.27 0.39 0.77 0.00 0.00 0.00 179.25 180.74 3daa h SER 54 N 0.23 0.71 0.24 0.00 0.02 -0.42 -1.45 113.55 112.89 3daa h SER 54 Ca 0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3daa h SER 54 Cb 0.76 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3daa h SER 54 CO 0.05 0.53 -0.22 0.00 -1.14 0.00 0.00 176.83 176.05 3daa h ALA 55 N 1.21 -0.46 -0.72 3.77 0.00 -1.24 -2.48 119.26 119.33 3daa h ALA 55 Ca 0.22 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3daa h ALA 55 Cb -0.07 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3daa h ALA 55 CO -0.05 -0.79 0.48 0.93 0.00 0.00 0.00 179.25 179.83 3daa h GLU 56 N -0.48 0.58 0.00 0.00 4.39 -0.86 -1.04 114.58 117.16 3daa h GLU 56 Ca -0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3daa h GLU 56 Cb 0.44 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3daa h GLU 56 CO -0.03 0.38 -0.11 0.87 -1.16 0.00 0.00 179.01 178.96 3daa h LYS 57 N 0.59 0.00 -0.14 2.33 1.57 -0.80 -1.74 116.57 118.39 3daa h LYS 57 Ca 0.34 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3daa h LYS 57 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3daa h LYS 57 CO -0.12 0.11 -0.14 0.44 -0.57 0.00 0.00 179.45 179.17 3daa n ILE 58 N -3.77 2.21 -4.03 1.86 -5.35 -0.52 -5.00 119.36 104.75 3daa n ILE 58 Ca -0.02 -2.56 -0.30 0.00 -0.27 0.00 0.00 62.75 59.60 3daa n ILE 58 Cb 0.21 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 37.84 3daa n ILE 58 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3daa n ARG 59 N -1.10 -3.73 -3.87 6.28 1.74 -0.61 -4.98 116.66 110.38 3daa n ARG 59 Ca 0.22 0.44 -0.36 0.00 -0.77 0.00 0.00 57.85 57.38 3daa n ARG 59 Cb 0.80 -4.94 -0.11 0.00 -1.02 0.00 0.00 32.46 27.19 3daa n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3daa s ILE 60 N -3.58 4.75 -0.54 0.55 1.01 -0.51 -4.99 121.20 117.88 3daa s ILE 60 Ca 0.39 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 3daa s ILE 60 Cb -0.21 -3.18 0.09 0.00 0.01 0.00 0.00 42.46 39.17 3daa s ILE 60 CO 0.89 0.39 0.61 -0.89 0.00 0.00 0.00 174.94 175.94 3daa s THR 61 N 0.93 4.95 0.04 2.92 2.01 -1.26 -4.07 115.64 121.16 3daa s THR 61 Ca 0.05 -0.94 -0.32 0.00 0.31 0.00 0.00 61.69 60.79 3daa s THR 61 Cb -0.14 -4.36 -0.11 0.00 0.01 0.00 0.00 72.50 67.90 3daa s THR 61 CO 0.03 -0.92 1.88 -0.38 -0.69 0.00 0.00 174.62 174.54 3daa n ILE 62 N 5.47 0.55 0.07 1.82 5.41 -1.26 -4.74 119.36 126.68 3daa n ILE 62 Ca -0.10 -0.10 0.21 0.00 1.00 0.00 0.00 62.75 63.76 3daa n ILE 62 Cb 0.43 -2.10 0.72 0.00 -0.71 0.00 0.00 39.64 37.98 3daa n ILE 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3daa h PRO 63 N 9.31 0.00 -5.32 0.38 0.13 -1.95 -3.43 132.00 131.12 3daa h PRO 63 Ca -0.48 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 3daa h PRO 63 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 3daa h PRO 63 CO 0.94 0.00 -0.74 1.52 -0.23 0.00 0.00 178.00 179.49 3daa s TYR 64 N -4.58 1.41 0.62 1.56 -0.85 -1.26 -5.15 117.35 109.08 3daa s TYR 64 Ca -0.04 -0.63 -0.12 0.00 -0.52 0.00 0.00 57.07 55.76 3daa s TYR 64 Cb 0.15 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 3daa s TYR 64 CO 0.53 0.16 1.03 0.95 -1.52 0.00 0.00 175.55 176.70 3daa s THR 65 N -2.71 4.57 0.27 -3.49 -4.23 -1.26 -4.85 115.64 103.93 3daa s THR 65 Ca 0.14 0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 61.49 3daa s THR 65 Cb -0.02 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.40 3daa s THR 65 CO 0.03 -1.04 1.60 0.11 -0.54 0.00 0.00 174.62 174.78 3daa h LYS 66 N -0.20 0.05 -0.82 3.99 1.57 -1.99 0.20 116.57 119.37 3daa h LYS 66 Ca -0.44 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3daa h LYS 66 Cb 1.19 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 3daa h LYS 66 CO 0.61 0.03 0.43 0.38 -0.57 0.00 0.00 179.45 180.34 3daa h ASP 67 N 0.05 0.57 0.24 0.86 2.03 -2.00 -0.41 116.42 117.75 3daa h ASP 67 Ca 0.46 0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.71 3daa h ASP 67 Cb 0.83 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.29 3daa h ASP 67 CO -0.81 0.29 -0.49 0.50 -1.03 0.00 0.00 179.24 177.70 3daa h LYS 68 N 0.68 0.29 -0.23 4.15 1.63 -1.36 -2.48 116.57 119.25 3daa h LYS 68 Ca 0.42 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 3daa h LYS 68 Cb 0.50 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3daa h LYS 68 CO -0.31 0.72 -0.15 0.35 -3.45 0.00 0.00 179.45 176.62 3daa h PHE 69 N 0.24 0.60 -0.67 1.91 3.04 -0.31 -1.93 116.94 119.81 3daa h PHE 69 Ca 0.01 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 3daa h PHE 69 Cb 0.95 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 3daa h PHE 69 CO 0.02 0.81 0.40 1.25 -2.02 0.00 0.00 178.31 178.76 3daa h HIS 70 N 0.22 0.89 -0.68 0.41 2.76 -1.08 -1.12 115.15 116.55 3daa h HIS 70 Ca 0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3daa h HIS 70 Cb 0.67 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 3daa h HIS 70 CO 0.07 0.61 0.43 0.37 -1.30 0.00 0.00 177.93 178.11 3daa h GLN 71 N 0.91 0.91 -0.27 5.26 4.15 -1.39 0.97 115.11 125.66 3daa h GLN 71 Ca 0.24 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.48 3daa h GLN 71 Cb -0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3daa h GLN 71 CO -0.04 0.63 -0.31 -0.07 -1.93 0.00 0.00 178.83 177.11 3daa h LEU 72 N 0.92 0.57 -0.50 -2.39 3.38 -0.99 -2.30 115.31 114.01 3daa h LEU 72 Ca 0.25 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3daa h LEU 72 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3daa h LEU 72 CO -0.05 0.85 -0.59 -0.07 0.09 0.00 0.00 178.44 178.67 3daa h LEU 73 N 0.48 0.58 -0.52 1.67 3.38 -0.82 -2.33 115.31 117.75 3daa h LEU 73 Ca 0.06 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3daa h LEU 73 Cb 0.77 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3daa h LEU 73 CO 0.06 1.04 0.19 -0.74 0.09 0.00 0.00 178.44 179.08 3daa h HIS 74 N 0.39 0.82 0.00 1.13 2.76 -0.59 -2.82 115.15 116.83 3daa h HIS 74 Ca -0.00 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 3daa h HIS 74 Cb 1.13 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 3daa h HIS 74 CO 0.04 0.68 -0.34 1.49 -1.30 0.00 0.00 177.93 178.51 3daa h GLU 75 N 0.71 0.00 -0.45 5.26 4.81 -1.40 -3.03 114.58 120.48 3daa h GLU 75 Ca 0.17 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3daa h GLU 75 Cb 0.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3daa h GLU 75 CO -0.01 0.34 0.08 1.25 -0.73 0.00 0.00 179.01 179.94 3daa h LEU 76 N 0.00 0.72 -0.31 1.64 5.85 -1.19 0.25 115.31 122.27 3daa h LEU 76 Ca -0.00 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3daa h LEU 76 Cb 1.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3daa h LEU 76 CO 0.04 0.79 0.07 0.58 -0.34 0.00 0.00 178.44 179.59 3daa h VAL 77 N 0.61 1.22 -0.72 1.05 2.07 -1.50 -1.97 116.25 117.02 3daa h VAL 77 Ca 0.14 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3daa h VAL 77 Cb 0.38 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3daa h VAL 77 CO 0.01 0.25 0.18 -0.08 0.02 0.00 0.00 177.57 177.95 3daa h GLU 78 N 0.34 1.14 -0.13 1.57 4.22 -1.43 0.06 114.58 120.35 3daa h GLU 78 Ca 0.10 -0.27 -0.09 0.00 0.08 0.00 0.00 59.36 59.18 3daa h GLU 78 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3daa h GLU 78 CO 0.00 1.00 -0.32 0.87 -2.18 0.00 0.00 179.01 178.37 3daa h LYS 79 N 1.08 0.26 -0.01 1.92 1.79 -0.86 -2.74 116.57 118.01 3daa h LYS 79 Ca 0.23 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3daa h LYS 79 Cb 0.36 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3daa h LYS 79 CO 0.00 0.56 -0.33 0.09 -1.08 0.00 0.00 179.45 178.69 3daa n ASN 80 N -4.10 1.45 -3.83 0.86 3.02 -0.75 -4.82 115.26 107.09 3daa n ASN 80 Ca -0.01 -1.17 -0.28 0.00 -0.03 0.00 0.00 54.58 53.09 3daa n ASN 80 Cb 0.42 0.26 0.04 0.00 -0.61 0.00 0.00 39.78 39.88 3daa n ASN 80 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3daa n GLU 81 N -0.35 -6.03 -2.17 3.52 1.02 -0.07 -4.90 120.64 111.67 3daa n GLU 81 Ca 0.11 0.65 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 3daa n GLU 81 Cb 0.40 -5.56 -0.03 0.00 -0.02 0.00 0.00 31.44 26.23 3daa n GLU 81 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3daa s LEU 82 N -7.25 4.32 0.00 -4.62 2.96 -0.73 -4.94 118.68 108.42 3daa s LEU 82 Ca 0.60 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 3daa s LEU 82 Cb -0.29 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.84 3daa s LEU 82 CO 0.81 -0.76 0.00 -3.20 -1.32 0.00 0.00 176.35 171.88 3daa n ASN 83 N 5.56 0.00 -3.85 3.68 4.05 -1.26 -3.86 115.26 119.58 3daa n ASN 83 Ca 0.14 0.07 -0.25 0.00 0.45 0.00 0.00 54.58 54.99 3daa n ASN 83 Cb 0.43 -0.46 -0.17 0.00 1.23 0.00 0.00 39.78 40.81 3daa n ASN 83 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3daa s THR 84 N -0.92 0.75 0.00 -0.44 2.01 -1.26 0.47 115.64 116.26 3daa s THR 84 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 3daa s THR 84 Cb 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.68 3daa s THR 84 CO 0.00 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 3daa n GLY 85 N 5.01 -0.71 3.37 4.40 0.00 -0.88 -1.30 105.19 115.08 3daa n GLY 85 Ca -0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3daa n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3daa s HIS 86 N -2.23 0.26 -0.13 1.61 -3.43 -0.46 -0.54 115.29 110.37 3daa s HIS 86 Ca 0.00 -0.62 0.01 0.00 -0.80 0.00 0.00 55.06 53.65 3daa s HIS 86 Cb 0.00 0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.19 3daa s HIS 86 CO 0.00 -0.75 -0.17 0.42 -2.00 0.00 0.00 174.74 172.23 3daa s ILE 87 N -3.94 2.61 -0.14 -5.38 1.01 0.94 -1.57 121.20 114.74 3daa s ILE 87 Ca 0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3daa s ILE 87 Cb 0.02 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3daa s ILE 87 CO -0.01 0.53 -0.07 -0.47 0.00 0.00 0.00 174.94 174.92 3daa s TYR 88 N 0.49 2.95 -0.02 3.97 5.04 -0.08 -0.75 117.35 128.95 3daa s TYR 88 Ca -0.12 -0.38 -0.04 0.00 -2.44 0.00 0.00 57.07 54.09 3daa s TYR 88 Cb -0.16 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.25 3daa s TYR 88 CO 0.05 -0.06 0.09 -0.59 -1.34 0.00 0.00 175.55 173.70 3daa s PHE 89 N 0.26 -0.01 0.09 4.97 -0.71 -0.72 -0.88 117.98 120.98 3daa s PHE 89 Ca -0.05 0.04 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 3daa s PHE 89 Cb -0.14 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3daa s PHE 89 CO 0.04 -0.14 0.10 1.14 -1.34 0.00 0.00 175.22 175.02 3daa s GLN 90 N -0.59 0.82 -0.05 1.99 -2.07 0.49 -0.68 119.66 119.57 3daa s GLN 90 Ca -0.07 -1.16 -0.02 0.00 -1.82 0.00 0.00 55.36 52.29 3daa s GLN 90 Cb -0.04 0.28 0.04 0.00 -1.09 0.00 0.00 33.01 32.20 3daa s GLN 90 CO 0.00 -0.23 0.11 0.54 -1.32 0.00 0.00 175.29 174.39 3daa s VAL 91 N -3.93 -0.08 0.43 3.63 0.11 -0.73 -1.33 120.40 118.49 3daa s VAL 91 Ca 0.11 0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.46 3daa s VAL 91 Cb 0.06 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 3daa s VAL 91 CO -0.07 0.10 0.36 0.42 -3.33 0.00 0.00 175.10 172.57 3daa s THR 92 N 1.35 2.53 0.21 5.04 -4.23 -0.48 -1.42 115.64 118.63 3daa s THR 92 Ca -0.07 -1.40 0.36 0.00 -1.18 0.00 0.00 61.69 59.40 3daa s THR 92 Cb -0.12 -2.93 0.40 0.00 1.34 0.00 0.00 72.50 71.19 3daa s THR 92 CO -0.05 0.00 2.06 -0.09 -0.54 0.00 0.00 174.62 176.00 3daa h ARG 93 N 1.06 0.00 0.00 3.99 2.43 -1.73 -2.94 114.38 117.19 3daa h ARG 93 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3daa h ARG 93 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3daa h ARG 93 CO 0.59 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.46 3daa n GLY 94 N -0.24 0.88 3.71 2.80 0.00 -1.26 -3.83 105.19 107.25 3daa n GLY 94 Ca -0.00 -2.32 -0.35 0.00 0.00 0.00 0.00 46.02 43.35 3daa n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3daa s THR 95 N -1.01 5.28 -0.02 2.61 2.01 -1.26 -1.24 115.64 122.01 3daa s THR 95 Ca 0.00 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 3daa s THR 95 Cb 0.00 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 69.21 3daa s THR 95 CO 0.00 0.44 0.91 -0.94 -0.69 0.00 0.00 174.62 174.34 3daa s SER 96 N 0.41 -0.35 0.03 3.53 1.04 -1.11 -4.90 113.70 112.34 3daa s SER 96 Ca 0.07 0.02 -0.37 0.00 0.48 0.00 0.00 55.95 56.15 3daa s SER 96 Cb -0.11 0.37 -0.16 0.00 0.10 0.00 0.00 66.02 66.22 3daa s SER 96 CO -0.01 -0.59 1.47 -2.65 0.98 0.00 0.00 173.24 172.44 3daa n PRO 97 N -0.20 1.35 -1.69 4.02 -0.02 -1.26 -4.79 135.00 132.42 3daa n PRO 97 Ca -0.08 0.49 -0.53 0.00 -2.02 0.00 0.00 63.50 61.35 3daa n PRO 97 Cb 0.61 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 3daa n PRO 97 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3daa n ARG 98 N 3.31 1.56 -3.64 -0.52 0.63 -1.26 -4.97 116.66 111.77 3daa n ARG 98 Ca 0.20 0.57 -0.10 0.00 -0.92 0.00 0.00 57.85 57.60 3daa n ARG 98 Cb 0.20 -2.31 -0.07 0.00 0.45 0.00 0.00 32.46 30.73 3daa n ARG 98 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3daa s ALA 99 N 3.31 -1.95 0.16 5.13 0.00 -1.26 -5.09 121.76 122.06 3daa s ALA 99 Ca 0.94 1.97 -0.16 0.00 0.00 0.00 0.00 51.96 54.72 3daa s ALA 99 Cb -0.91 -1.40 0.07 0.00 0.00 0.00 0.00 23.12 20.88 3daa s ALA 99 CO 0.58 -0.28 1.77 0.45 0.00 0.00 0.00 175.76 178.28 3daa h HIS 100 N 4.70 0.32 -3.95 0.00 3.86 -2.03 -3.44 115.15 114.61 3daa h HIS 100 Ca -0.28 0.02 -0.48 0.00 -1.16 0.00 0.00 60.37 58.46 3daa h HIS 100 Cb 1.18 -0.09 0.17 0.00 1.06 0.00 0.00 27.41 29.73 3daa h HIS 100 CO 0.30 0.16 0.20 1.14 0.86 0.00 0.00 177.93 180.59 3daa s GLN 101 N -6.15 0.81 0.38 2.45 0.00 -1.26 -4.96 119.66 110.93 3daa s GLN 101 Ca -0.13 0.94 -0.28 0.00 -0.00 0.00 0.00 55.36 55.89 3daa s GLN 101 Cb 0.12 -1.75 -0.11 0.00 0.00 0.00 0.00 33.01 31.27 3daa s GLN 101 CO 0.72 -2.58 1.50 -0.06 0.00 0.00 0.00 175.29 174.86 3daa s PHE 102 N -2.80 2.56 0.05 9.60 0.40 -1.26 -4.88 117.98 121.64 3daa s PHE 102 Ca 0.65 1.16 -0.34 0.00 -0.60 0.00 0.00 56.93 57.80 3daa s PHE 102 Cb -0.20 -4.04 -0.13 0.00 0.51 0.00 0.00 43.02 39.16 3daa s PHE 102 CO 0.59 -3.05 1.72 -2.30 0.70 0.00 0.00 175.22 172.87 3daa n PRO 103 N 0.43 2.17 -0.30 0.24 -0.02 -1.26 -4.85 135.00 131.42 3daa n PRO 103 Ca 0.01 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3daa n PRO 103 Cb 0.39 -2.59 0.28 0.00 -0.02 0.00 0.00 33.50 31.56 3daa n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3daa h GLU 104 N 7.45 0.14 -4.96 -0.52 5.08 -2.00 -3.34 114.58 116.43 3daa h GLU 104 Ca -0.47 -0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.23 3daa h GLU 104 Cb 1.26 -0.03 -0.26 0.00 0.50 0.00 0.00 28.75 30.22 3daa h GLU 104 CO 0.92 0.09 -0.68 -0.80 -1.00 0.00 0.00 179.01 177.54 3daa s ASN 105 N -5.07 4.65 -0.48 1.42 0.01 -1.26 -5.04 114.94 109.18 3daa s ASN 105 Ca -0.12 -0.36 -0.41 0.00 -0.71 0.00 0.00 52.86 51.26 3daa s ASN 105 Cb 0.26 -1.81 -0.17 0.00 0.41 0.00 0.00 41.25 39.94 3daa s ASN 105 CO 0.77 -0.04 2.18 0.41 -1.51 0.00 0.00 177.10 178.91 3daa n THR 106 N 4.85 0.05 -2.81 1.60 -1.04 -1.25 -4.96 114.28 110.71 3daa n THR 106 Ca -0.17 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.52 3daa n THR 106 Cb 0.51 -0.86 0.02 0.00 -1.82 0.00 0.00 70.33 68.18 3daa n THR 106 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3daa s VAL 107 N 6.57 3.75 -0.10 12.58 -7.23 -1.26 -5.07 120.40 129.64 3daa s VAL 107 Ca 1.17 -0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 60.69 3daa s VAL 107 Cb -1.29 -3.41 -0.03 0.00 0.56 0.00 0.00 36.38 32.21 3daa s VAL 107 CO 0.60 -0.32 0.78 -0.75 -0.31 0.00 0.00 175.10 175.10 3daa s LYS 108 N -4.68 4.39 0.33 4.82 2.47 -1.26 -4.91 119.74 120.90 3daa s LYS 108 Ca 0.51 0.98 -0.29 0.00 -1.56 0.00 0.00 55.97 55.61 3daa s LYS 108 Cb -0.10 -3.50 -0.11 0.00 -1.46 0.00 0.00 37.83 32.66 3daa s LYS 108 CO 0.40 -0.10 1.40 -2.14 0.16 0.00 0.00 175.35 175.07 3daa s PRO 109 N 1.35 4.25 -0.08 4.03 0.02 -1.25 -4.28 135.00 139.04 3daa s PRO 109 Ca 0.39 2.37 -0.19 0.00 0.02 0.00 0.00 61.00 63.59 3daa s PRO 109 Cb -0.18 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3daa s PRO 109 CO 0.17 -0.37 0.52 0.08 -0.33 0.00 0.00 177.00 177.08 3daa s VAL 110 N -0.88 5.10 -0.09 3.83 1.01 -1.11 -4.88 120.40 123.38 3daa s VAL 110 Ca 0.53 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.61 3daa s VAL 110 Cb -0.43 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3daa s VAL 110 CO 0.55 0.35 -0.21 -0.63 0.00 0.00 0.00 175.10 175.16 3daa s ILE 111 N 0.35 2.36 -0.04 2.22 1.01 -1.26 -1.39 121.20 124.46 3daa s ILE 111 Ca 0.28 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3daa s ILE 111 Cb -0.16 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.41 3daa s ILE 111 CO 0.13 0.56 -0.08 -0.63 0.00 0.00 0.00 174.94 174.92 3daa s ILE 112 N 0.04 0.74 -0.13 2.92 -1.09 -0.45 -0.48 121.20 122.76 3daa s ILE 112 Ca -0.08 -0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 3daa s ILE 112 Cb -0.15 -0.69 0.05 0.00 -1.58 0.00 0.00 42.46 40.09 3daa s ILE 112 CO 0.05 0.25 0.31 -0.83 -1.23 0.00 0.00 174.94 173.49 3daa s GLY 113 N 0.45 -0.21 0.22 6.18 0.00 -0.41 -0.37 107.32 113.18 3daa s GLY 113 Ca -0.07 1.20 -0.05 0.00 0.00 0.00 0.00 44.72 45.81 3daa s GLY 113 CO 0.01 1.43 0.25 -2.52 0.00 0.00 0.00 173.10 172.27 3daa s TYR 114 N 1.33 0.92 0.40 1.90 1.13 -0.06 0.26 117.35 123.22 3daa s TYR 114 Ca -0.09 -1.18 0.08 0.00 -1.41 0.00 0.00 57.07 54.47 3daa s TYR 114 Cb -0.10 -0.32 -0.07 0.00 -1.10 0.00 0.00 41.96 40.38 3daa s TYR 114 CO -0.10 -0.77 0.03 0.95 -2.51 0.00 0.00 175.55 173.15 3daa s THR 115 N -4.08 2.14 -0.27 -3.49 -4.23 -1.26 -0.90 115.64 103.55 3daa s THR 115 Ca 0.34 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 3daa s THR 115 Cb 0.04 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 71.03 3daa s THR 115 CO 0.12 -0.04 0.65 -0.75 -0.54 0.00 0.00 174.62 174.06 3daa s LYS 116 N -3.74 0.65 -0.01 3.99 2.20 -0.61 -4.98 119.74 117.25 3daa s LYS 116 Ca 0.36 1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 56.89 3daa s LYS 116 Cb 0.07 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 3daa s LYS 116 CO 0.19 -0.16 1.19 -1.21 -0.36 0.00 0.00 175.35 175.00 3daa s GLU 117 N 1.87 4.39 -0.30 4.03 0.41 -1.26 -1.36 118.70 126.48 3daa s GLU 117 Ca -0.09 1.70 -0.11 0.00 -0.41 0.00 0.00 54.97 56.06 3daa s GLU 117 Cb -0.07 -3.48 0.15 0.00 -1.78 0.00 0.00 34.13 28.95 3daa s GLU 117 CO -0.19 -0.36 0.75 1.21 -0.49 0.00 0.00 175.26 176.19 3daa s ASN 118 N 1.31 -0.99 1.07 -0.19 2.47 -0.42 -4.92 114.94 113.28 3daa s ASN 118 Ca 0.57 1.26 -0.14 0.00 0.42 0.00 0.00 52.86 54.97 3daa s ASN 118 Cb -0.26 2.08 0.23 0.00 -1.45 0.00 0.00 41.25 41.85 3daa s ASN 118 CO 0.25 -0.19 1.09 -2.16 -3.72 0.00 0.00 177.10 172.37 3daa s PRO 119 N 2.77 -0.17 0.53 0.43 0.04 -1.26 -2.96 135.00 134.39 3daa s PRO 119 Ca -0.03 0.39 -0.19 0.00 0.04 0.00 0.00 61.00 61.21 3daa s PRO 119 Cb -0.10 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 3daa s PRO 119 CO -0.19 -3.10 1.09 1.03 0.04 0.00 0.00 177.00 175.87 3daa s ARG 120 N -5.01 3.49 -1.43 4.56 0.52 -1.26 -4.91 118.95 114.90 3daa s ARG 120 Ca 0.67 1.50 -0.09 0.00 -0.52 0.00 0.00 55.73 57.28 3daa s ARG 120 Cb -0.17 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 3daa s ARG 120 CO 0.58 -0.72 2.96 -0.35 0.02 0.00 0.00 175.30 177.79 3daa n PRO 121 N -1.26 3.44 -0.20 3.54 -0.04 -1.26 -4.74 135.00 134.47 3daa n PRO 121 Ca 0.11 -2.04 0.01 0.00 -0.04 0.00 0.00 63.50 61.53 3daa n PRO 121 Cb 0.52 -2.70 0.11 0.00 -0.04 0.00 0.00 33.50 31.38 3daa n PRO 121 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3daa h LEU 122 N 6.92 0.05 -0.82 1.53 3.38 -1.99 -0.83 115.31 123.54 3daa h LEU 122 Ca 0.79 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.87 3daa h LEU 122 Cb 0.38 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3daa h LEU 122 CO 1.63 0.03 0.53 -0.08 0.09 0.00 0.00 178.44 180.64 3daa h GLU 123 N 0.29 1.10 -0.42 1.13 4.81 -2.00 -1.57 114.58 117.92 3daa h GLU 123 Ca 0.32 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 3daa h GLU 123 Cb 0.46 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3daa h GLU 123 CO -0.38 0.74 -0.29 -0.91 -0.73 0.00 0.00 179.01 177.44 3daa h ASN 124 N 1.12 0.95 -0.02 1.04 -0.26 -1.68 -0.01 115.58 116.71 3daa h ASN 124 Ca 0.30 -0.39 -0.06 0.00 -0.56 0.00 0.00 56.30 55.59 3daa h ASN 124 Cb -0.10 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.89 3daa h ASN 124 CO -0.06 1.17 -0.13 -0.07 -1.06 0.00 0.00 177.43 177.28 3daa h LEU 125 N 0.77 0.30 0.00 1.61 3.38 -0.85 -0.06 115.31 120.45 3daa h LEU 125 Ca 0.09 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3daa h LEU 125 Cb 0.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3daa h LEU 125 CO 0.08 0.46 -0.47 -0.08 0.09 0.00 0.00 178.44 178.51 3daa h GLU 126 N 0.29 0.00 0.00 1.13 4.57 -1.18 -3.42 114.58 115.97 3daa h GLU 126 Ca 0.06 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.04 3daa h GLU 126 Cb 0.41 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 3daa h GLU 126 CO 0.02 0.94 -1.43 -0.22 -1.18 0.00 0.00 179.01 177.14 3daa h LYS 127 N -1.00 0.00 0.00 1.92 3.64 -1.04 -3.47 116.57 116.62 3daa h LYS 127 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3daa h LYS 127 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3daa h LYS 127 CO -0.08 0.37 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 3daa n GLY 128 N 1.43 -0.53 3.22 5.01 0.00 -0.04 -4.83 105.19 109.45 3daa n GLY 128 Ca -0.11 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 3daa n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3daa s VAL 129 N -2.04 0.09 0.00 1.61 -7.23 0.71 -4.83 120.40 108.72 3daa s VAL 129 Ca 0.00 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 3daa s VAL 129 Cb 0.00 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3daa s VAL 129 CO 0.00 0.00 0.33 -0.54 -0.31 0.00 0.00 175.10 174.58 3daa s LYS 130 N -4.12 3.71 0.33 4.82 1.02 -1.26 -1.37 119.74 122.86 3daa s LYS 130 Ca 0.39 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.54 3daa s LYS 130 Cb 0.07 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 3daa s LYS 130 CO 0.13 0.66 0.08 0.00 -0.92 0.00 0.00 175.35 175.30 3daa s ALA 131 N -1.21 2.34 -0.03 5.17 0.00 0.87 -0.99 121.76 127.90 3daa s ALA 131 Ca 0.26 -1.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 3daa s ALA 131 Cb -0.14 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3daa s ALA 131 CO 0.14 -0.35 0.15 -0.08 0.00 0.00 0.00 175.76 175.63 3daa s THR 132 N -3.37 0.04 0.14 0.00 -1.32 -0.96 -1.71 115.64 108.45 3daa s THR 132 Ca 0.34 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 3daa s THR 132 Cb 0.07 -0.32 -0.07 0.00 -1.51 0.00 0.00 72.50 70.68 3daa s THR 132 CO 0.15 -0.16 0.92 -0.36 -2.21 0.00 0.00 174.62 172.95 3daa s PHE 133 N -0.54 3.86 -0.07 9.09 0.08 -1.26 -0.13 117.98 129.01 3daa s PHE 133 Ca -0.06 1.78 -0.03 0.00 0.12 0.00 0.00 56.93 58.73 3daa s PHE 133 Cb -0.04 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3daa s PHE 133 CO 0.01 0.30 0.16 0.08 -0.10 0.00 0.00 175.22 175.68 3daa s VAL 134 N -0.40 -0.07 0.16 -0.44 1.01 -0.49 -4.88 120.40 115.29 3daa s VAL 134 Ca 0.43 0.19 -0.33 0.00 0.00 0.00 0.00 61.98 62.27 3daa s VAL 134 Cb -0.24 -0.27 -0.13 0.00 0.00 0.00 0.00 36.38 35.74 3daa s VAL 134 CO 0.29 0.08 1.63 1.21 0.00 0.00 0.00 175.10 178.31 3daa n GLU 135 N 4.31 2.31 -2.62 2.72 4.07 -1.26 -2.44 120.64 127.73 3daa n GLU 135 Ca -0.25 0.83 -0.43 0.00 -0.06 0.00 0.00 57.16 57.26 3daa n GLU 135 Cb 0.52 -2.63 -0.02 0.00 -0.06 0.00 0.00 31.44 29.24 3daa n GLU 135 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3daa s ASP 136 N 1.15 6.55 -0.09 4.31 -1.08 0.43 -4.75 116.67 123.19 3daa s ASP 136 Ca 0.79 0.29 0.13 0.00 -0.52 0.00 0.00 52.55 53.24 3daa s ASP 136 Cb -0.63 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 38.67 3daa s ASP 136 CO 0.37 -1.32 1.30 2.30 0.52 0.00 0.00 175.17 178.34 3daa n ILE 137 N 6.75 1.67 -1.51 4.11 -5.35 -1.26 -4.72 119.36 119.05 3daa n ILE 137 Ca 0.10 -1.51 -0.29 0.00 -0.27 0.00 0.00 62.75 60.78 3daa n ILE 137 Cb 0.49 0.09 0.18 0.00 -1.74 0.00 0.00 39.64 38.66 3daa n ILE 137 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3daa s ARG 138 N -1.99 0.34 1.20 6.28 0.52 -1.26 -5.03 118.95 119.00 3daa s ARG 138 Ca 0.31 0.01 -0.19 0.00 -0.52 0.00 0.00 55.73 55.33 3daa s ARG 138 Cb 0.23 -1.77 0.29 0.00 0.52 0.00 0.00 34.95 34.21 3daa s ARG 138 CO 0.10 -2.69 1.12 1.67 0.02 0.00 0.00 175.30 175.52 3daa s TRP 139 N -3.36 0.49 -0.97 -0.53 1.48 -1.26 -4.98 118.94 109.81 3daa s TRP 139 Ca 0.68 0.48 0.11 0.00 -1.06 0.00 0.00 56.10 56.32 3daa s TRP 139 Cb -0.10 -3.47 0.53 0.00 -1.16 0.00 0.00 33.47 29.26 3daa s TRP 139 CO 0.54 -3.86 1.36 1.28 -4.06 0.00 0.00 176.95 172.21 3daa n LEU 140 N -4.74 3.76 -2.79 -4.66 4.77 -1.26 -4.33 117.00 107.74 3daa n LEU 140 Ca 0.13 -1.90 -0.22 0.00 -0.03 0.00 0.00 56.01 53.99 3daa n LEU 140 Cb 0.59 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3daa n LEU 140 CO 0.45 0.56 0.04 0.54 -1.33 0.00 0.00 177.39 177.65 3daa n ARG 141 N 0.60 2.50 0.00 3.23 5.12 -1.25 -4.71 116.66 122.15 3daa n ARG 141 Ca 0.18 -4.19 0.09 0.00 -1.93 0.00 0.00 57.85 52.01 3daa n ARG 141 Cb 0.75 -1.96 0.49 0.00 -1.16 0.00 0.00 32.46 30.57 3daa n ARG 141 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3daa h ASP 143 N 0.00 0.00 -3.44 0.00 2.03 -1.58 -2.81 116.42 110.62 3daa h ASP 143 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 3daa h ASP 143 Cb 0.07 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.46 3daa h ASP 143 CO 0.00 0.00 -0.25 -0.63 -1.03 0.00 0.00 179.24 177.33 3daa s ILE 144 N -3.25 5.23 -1.31 4.15 1.01 -0.93 -4.70 121.20 121.41 3daa s ILE 144 Ca 0.07 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.25 3daa s ILE 144 Cb 0.07 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 38.98 3daa s ILE 144 CO 0.63 0.29 1.85 1.17 0.00 0.00 0.00 174.94 178.88 3daa n LYS 145 N 4.22 3.39 -2.50 2.79 4.81 -1.26 -4.97 118.16 124.64 3daa n LYS 145 Ca -0.09 -3.38 -0.23 0.00 -0.87 0.00 0.00 58.31 53.74 3daa n LYS 145 Cb 0.51 -3.07 0.05 0.00 0.02 0.00 0.00 35.03 32.55 3daa n LYS 145 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3daa s SER 146 N 1.97 5.06 0.00 3.14 1.04 -1.26 -1.65 113.70 122.00 3daa s SER 146 Ca 0.43 0.10 0.29 0.00 0.48 0.00 0.00 55.95 57.25 3daa s SER 146 Cb 0.08 -0.88 1.45 0.00 0.10 0.00 0.00 66.02 66.77 3daa s SER 146 CO -0.01 -1.34 1.99 0.18 0.98 0.00 0.00 173.24 175.04 3daa n LEU 147 N -2.56 0.00 -4.57 2.42 4.77 -0.28 -4.53 117.00 112.26 3daa n LEU 147 Ca 0.08 0.27 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 3daa n LEU 147 Cb 0.60 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3daa n LEU 147 CO 0.47 -0.02 1.57 0.20 -1.33 0.00 0.00 177.39 178.29 3daa s ASN 148 N -2.54 6.20 -0.11 -1.43 0.02 -1.25 -4.71 114.94 111.11 3daa s ASN 148 Ca 0.28 -1.56 0.16 0.00 -1.02 0.00 0.00 52.86 50.71 3daa s ASN 148 Cb 0.19 -2.57 0.26 0.00 0.02 0.00 0.00 41.25 39.15 3daa s ASN 148 CO 0.43 -1.80 1.15 0.18 0.02 0.00 0.00 177.10 177.08 3daa n LEU 149 N 10.20 2.40 -0.25 0.60 4.77 -1.26 -4.78 117.00 128.68 3daa n LEU 149 Ca 0.39 -2.90 0.01 0.00 -0.03 0.00 0.00 56.01 53.48 3daa n LEU 149 Cb 0.49 -0.37 0.24 0.00 -2.33 0.00 0.00 43.42 41.44 3daa n LEU 149 CO 0.68 0.68 1.25 0.25 -1.33 0.00 0.00 177.39 178.91 3daa h LEU 150 N 0.14 0.89 -0.13 2.23 5.85 -1.99 -1.56 115.31 120.74 3daa h LEU 150 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3daa h LEU 150 Cb 0.95 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3daa h LEU 150 CO 0.01 0.63 0.08 1.23 -0.34 0.00 0.00 178.44 180.05 3daa h GLY 151 N 1.04 0.19 1.89 3.75 0.00 -1.96 -2.29 103.07 105.70 3daa h GLY 151 Ca 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 3daa h GLY 151 CO -0.08 0.08 -0.17 0.00 0.00 0.00 0.00 176.54 176.36 3daa h ALA 152 N 0.99 1.55 0.56 3.60 0.00 -1.75 -1.96 119.26 122.25 3daa h ALA 152 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3daa h ALA 152 Cb 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3daa h ALA 152 CO -0.01 0.32 -0.27 0.28 0.00 0.00 0.00 179.25 179.58 3daa h VAL 153 N 0.13 0.38 -0.85 0.00 2.07 -1.02 -0.41 116.25 116.55 3daa h VAL 153 Ca 0.02 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3daa h VAL 153 Cb 0.39 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3daa h VAL 153 CO 0.03 0.04 0.56 -0.07 0.02 0.00 0.00 177.57 178.14 3daa h LEU 154 N -0.93 0.85 -0.18 2.57 3.38 -1.30 -1.09 115.31 118.61 3daa h LEU 154 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3daa h LEU 154 Cb 0.64 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3daa h LEU 154 CO 0.13 0.55 -0.08 0.00 0.09 0.00 0.00 178.44 179.12 3daa h ALA 155 N 1.53 0.26 -0.60 1.53 0.00 -1.30 -2.26 119.26 118.43 3daa h ALA 155 Ca 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3daa h ALA 155 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3daa h ALA 155 CO -0.13 0.07 0.37 -0.22 0.00 0.00 0.00 179.25 179.35 3daa h LYS 156 N 0.07 0.80 -0.83 0.00 1.63 -0.70 -2.26 116.57 115.28 3daa h LYS 156 Ca 0.04 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3daa h LYS 156 Cb 0.56 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 3daa h LYS 156 CO 0.03 0.56 0.53 0.37 -3.45 0.00 0.00 179.45 177.48 3daa h GLN 157 N 0.81 0.99 -0.15 1.90 5.75 -1.18 -0.89 115.11 122.34 3daa h GLN 157 Ca 0.22 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3daa h GLN 157 Cb -0.05 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 3daa h GLN 157 CO -0.04 0.66 0.10 1.49 -2.65 0.00 0.00 178.83 178.38 3daa h GLU 158 N 1.02 0.20 -0.53 1.69 4.81 -0.93 -1.20 114.58 119.64 3daa h GLU 158 Ca 0.33 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.59 3daa h GLU 158 Cb 0.02 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3daa h GLU 158 CO -0.12 0.15 0.29 0.00 -0.73 0.00 0.00 179.01 178.60 3daa h ALA 159 N 1.04 0.69 -0.34 2.92 0.00 -0.97 -2.30 119.26 120.30 3daa h ALA 159 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3daa h ALA 159 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3daa h ALA 159 CO -0.01 -0.03 -0.10 0.45 0.00 0.00 0.00 179.25 179.57 3daa h HIS 160 N 0.57 0.62 0.00 0.00 3.86 -0.97 0.36 115.15 119.60 3daa h HIS 160 Ca 0.23 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3daa h HIS 160 Cb 0.09 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3daa h HIS 160 CO -0.08 0.66 -0.10 0.93 0.86 0.00 0.00 177.93 180.19 3daa h GLU 161 N 0.53 0.00 -0.60 2.45 5.08 -0.68 -1.75 114.58 119.62 3daa h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3daa h GLU 161 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3daa h GLU 161 CO 0.03 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 3daa n LYS 162 N -3.44 2.58 -1.22 2.33 5.02 -0.89 -4.94 118.16 117.60 3daa n LYS 162 Ca -0.01 -2.43 -0.08 0.00 -2.02 0.00 0.00 58.31 53.77 3daa n LYS 162 Cb 0.26 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3daa n LYS 162 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3daa n GLY 163 N 1.58 0.96 3.90 0.72 0.00 -0.66 -5.02 105.19 106.67 3daa n GLY 163 Ca 0.22 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3daa n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daa h TYR 165 N 3.62 0.17 -3.48 0.00 3.20 -1.31 -3.26 116.97 115.91 3daa h TYR 165 Ca -0.48 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.16 3daa h TYR 165 Cb 1.18 -0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.24 3daa h TYR 165 CO 0.66 0.93 -0.42 -2.00 -1.64 0.00 0.00 178.16 175.68 3daa s GLU 166 N -3.14 0.60 -0.27 1.82 2.56 -1.25 -4.92 118.70 114.11 3daa s GLU 166 Ca -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 54.97 54.38 3daa s GLU 166 Cb 0.10 0.25 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 3daa s GLU 166 CO 0.82 -0.16 0.14 0.00 -0.56 0.00 0.00 175.26 175.50 3daa s ALA 167 N -1.90 3.37 -0.42 6.30 0.00 -1.26 -2.26 121.76 125.59 3daa s ALA 167 Ca -0.10 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.54 3daa s ALA 167 Cb -0.04 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.78 3daa s ALA 167 CO -0.00 -0.54 0.64 0.42 0.00 0.00 0.00 175.76 176.28 3daa s ILE 168 N 1.70 4.84 0.36 0.00 1.01 0.82 -1.99 121.20 127.94 3daa s ILE 168 Ca 0.07 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 3daa s ILE 168 Cb -0.16 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 3daa s ILE 168 CO 0.08 -0.54 0.92 -0.76 0.00 0.00 0.00 174.94 174.64 3daa s LEU 169 N 2.80 4.14 -0.12 2.97 1.43 -0.45 -1.40 118.68 128.06 3daa s LEU 169 Ca 0.23 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 3daa s LEU 169 Cb -0.14 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.88 3daa s LEU 169 CO 0.18 -0.20 0.31 -1.38 0.23 0.00 0.00 176.35 175.49 3daa s HIS 170 N -1.89 -0.34 -0.48 0.29 -3.43 -1.02 -1.62 115.29 106.80 3daa s HIS 170 Ca 0.55 0.84 -0.13 0.00 -0.80 0.00 0.00 55.06 55.52 3daa s HIS 170 Cb -0.14 0.12 0.09 0.00 -1.43 0.00 0.00 32.58 31.23 3daa s HIS 170 CO 0.18 -0.17 0.39 1.03 -2.00 0.00 0.00 174.74 174.17 3daa s ARG 171 N 0.20 2.84 -1.31 -0.38 1.81 -0.01 -0.43 118.95 121.67 3daa s ARG 171 Ca -0.00 -1.52 -0.02 0.00 -1.72 0.00 0.00 55.73 52.47 3daa s ARG 171 Cb -0.02 -4.07 0.01 0.00 -0.45 0.00 0.00 34.95 30.41 3daa s ARG 171 CO 0.00 -1.11 0.81 0.09 -0.68 0.00 0.00 175.30 174.41 3daa n ASN 172 N 5.12 -1.91 0.00 0.23 3.02 -1.26 -1.86 115.26 118.59 3daa n ASN 172 Ca -0.12 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3daa n ASN 172 Cb 0.42 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 3daa n ASN 172 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3daa n ASN 173 N -3.05 0.00 -4.60 6.41 2.85 -1.26 -5.02 115.26 110.59 3daa n ASN 173 Ca -0.25 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.82 3daa n ASN 173 Cb 0.66 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.60 3daa n ASN 173 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3daa s THR 174 N -2.93 5.06 0.14 -0.44 2.01 -0.78 -0.09 115.64 118.61 3daa s THR 174 Ca 0.00 0.71 -0.31 0.00 0.31 0.00 0.00 61.69 62.40 3daa s THR 174 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 3daa s THR 174 CO 0.00 -0.00 1.52 -0.69 -0.69 0.00 0.00 174.62 174.76 3daa s VAL 175 N 2.33 2.88 0.00 3.82 1.01 0.14 -0.83 120.40 129.75 3daa s VAL 175 Ca 0.20 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3daa s VAL 175 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3daa s VAL 175 CO 0.10 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.60 3daa n THR 176 N 4.05 0.00 -4.03 3.92 -2.24 -0.64 -4.51 114.28 110.83 3daa n THR 176 Ca 0.13 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 3daa n THR 176 Cb 0.40 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 3daa n THR 176 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3daa s GLU 177 N -0.03 2.03 0.56 -0.78 -1.05 -1.25 -4.54 118.70 113.63 3daa s GLU 177 Ca 0.00 -1.73 -0.02 0.00 -0.15 0.00 0.00 54.97 53.07 3daa s GLU 177 Cb 0.00 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 3daa s GLU 177 CO 0.00 -0.87 0.81 0.20 0.95 0.00 0.00 175.26 176.36 3daa s GLY 178 N -3.22 1.68 0.58 -3.83 0.00 0.19 -1.34 107.32 101.38 3daa s GLY 178 Ca 0.28 -1.05 0.28 0.00 0.00 0.00 0.00 44.72 44.23 3daa s GLY 178 CO 0.19 -0.77 2.02 1.48 0.00 0.00 0.00 173.10 176.02 3daa h SER 179 N -0.00 0.00 -0.17 1.64 4.64 -1.76 -3.06 113.55 114.84 3daa h SER 179 Ca -0.44 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.67 3daa h SER 179 Cb 1.28 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.13 3daa h SER 179 CO 0.57 0.00 -0.57 -1.54 -0.87 0.00 0.00 176.83 174.41 3daa n SER 180 N -3.89 -0.45 -3.73 4.97 3.41 -1.26 -4.77 113.62 107.89 3daa n SER 180 Ca 0.05 -2.19 -0.03 0.00 -0.26 0.00 0.00 58.87 56.44 3daa n SER 180 Cb 0.48 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.72 3daa n SER 180 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3daa s SER 181 N -2.04 -0.15 0.10 4.04 1.04 -1.16 -4.76 113.70 110.77 3daa s SER 181 Ca 0.16 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3daa s SER 181 Cb 0.41 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 3daa s SER 181 CO -0.09 -0.81 0.13 0.20 0.98 0.00 0.00 173.24 173.65 3daa s ASN 182 N -2.96 5.75 -0.11 7.02 -0.87 -0.09 0.55 114.94 124.23 3daa s ASN 182 Ca 0.13 0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.46 3daa s ASN 182 Cb -0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.25 39.60 3daa s ASN 182 CO 0.01 0.14 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.87 3daa s VAL 183 N -1.51 3.17 0.02 1.60 1.01 -1.26 -0.69 120.40 122.74 3daa s VAL 183 Ca 0.31 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3daa s VAL 183 Cb -0.12 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3daa s VAL 183 CO 0.24 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.28 3daa s PHE 184 N -0.03 2.14 0.07 5.22 0.40 0.01 -4.46 117.98 121.33 3daa s PHE 184 Ca -0.03 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 3daa s PHE 184 Cb -0.14 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 3daa s PHE 184 CO 0.04 0.07 -0.21 0.20 0.70 0.00 0.00 175.22 176.02 3daa s GLY 185 N -1.01 1.16 -0.08 4.36 0.00 -0.32 -1.90 107.32 109.54 3daa s GLY 185 Ca 0.10 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3daa s GLY 185 CO 0.01 -1.10 -0.12 -0.42 0.00 0.00 0.00 173.10 171.46 3daa s ILE 186 N -0.98 1.19 -0.09 0.90 1.01 0.10 -0.27 121.20 123.07 3daa s ILE 186 Ca 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3daa s ILE 186 Cb -0.09 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.33 3daa s ILE 186 CO 0.03 0.37 0.18 -0.75 0.00 0.00 0.00 174.94 174.77 3daa s LYS 187 N 0.82 0.06 -1.38 2.79 2.47 -0.80 -0.59 119.74 123.11 3daa s LYS 187 Ca -0.11 0.57 -0.06 0.00 -1.56 0.00 0.00 55.97 54.81 3daa s LYS 187 Cb -0.15 -0.22 0.03 0.00 -1.46 0.00 0.00 37.83 36.02 3daa s LYS 187 CO 0.02 -0.29 0.91 -0.25 0.16 0.00 0.00 175.35 175.91 3daa n ASP 188 N 5.19 -3.36 -0.10 1.43 8.00 -1.26 -2.06 116.55 124.39 3daa n ASP 188 Ca -0.08 -0.73 -0.01 0.00 0.71 0.00 0.00 54.79 54.68 3daa n ASP 188 Cb 0.50 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 3daa n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3daa n GLY 189 N -1.63 0.41 3.52 0.44 0.00 -1.26 -5.01 105.19 101.65 3daa n GLY 189 Ca -0.13 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3daa n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3daa s ILE 190 N -1.70 3.64 -0.29 -0.61 1.01 -0.87 -4.15 121.20 118.22 3daa s ILE 190 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 3daa s ILE 190 Cb 0.00 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3daa s ILE 190 CO 0.00 0.55 0.41 -0.22 0.00 0.00 0.00 174.94 175.68 3daa s LEU 191 N -0.24 4.16 0.08 2.97 2.96 0.18 -1.91 118.68 126.88 3daa s LEU 191 Ca 0.03 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3daa s LEU 191 Cb -0.13 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3daa s LEU 191 CO 0.03 -0.27 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.40 3daa s TYR 192 N 2.13 2.80 -0.22 5.38 2.02 0.63 -0.56 117.35 129.54 3daa s TYR 192 Ca 0.16 -0.12 -0.28 0.00 -0.37 0.00 0.00 57.07 56.46 3daa s TYR 192 Cb -0.16 -1.48 0.13 0.00 -0.40 0.00 0.00 41.96 40.05 3daa s TYR 192 CO 0.11 0.42 1.06 -0.08 -1.57 0.00 0.00 175.55 175.49 3daa s THR 193 N -1.18 0.00 0.30 -0.71 -1.32 -1.12 -1.17 115.64 110.44 3daa s THR 193 Ca 0.21 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.40 3daa s THR 193 Cb -0.11 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.75 3daa s THR 193 CO 0.13 0.00 1.39 1.57 -2.21 0.00 0.00 174.62 175.51 3daa n HIS 194 N 1.26 2.39 -1.35 9.09 -0.00 -1.26 -1.67 115.22 123.68 3daa n HIS 194 Ca -0.10 0.46 -0.34 0.00 0.46 0.00 0.00 57.72 58.19 3daa n HIS 194 Cb 0.57 -2.47 0.10 0.00 -0.12 0.00 0.00 29.99 28.07 3daa n HIS 194 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3daa s PRO 195 N -1.18 2.01 -1.26 1.57 0.04 -1.25 -4.83 135.00 130.10 3daa s PRO 195 Ca 0.61 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 3daa s PRO 195 Cb -0.58 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.28 3daa s PRO 195 CO 0.56 -1.93 1.65 0.00 0.04 0.00 0.00 177.00 177.32 3daa n ALA 196 N -2.89 4.20 -2.70 8.56 0.00 -1.26 -4.74 120.51 121.69 3daa n ALA 196 Ca 0.13 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.43 3daa n ALA 196 Cb 0.50 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.75 3daa n ALA 196 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3daa n ASN 197 N 5.99 0.78 0.00 0.00 0.23 -1.26 -5.00 115.26 116.00 3daa n ASN 197 Ca 0.41 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.53 3daa n ASN 197 Cb 0.42 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.40 3daa n ASN 197 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3daa n ASN 198 N 0.00 0.00 0.08 0.53 6.94 -1.26 -3.13 115.26 118.41 3daa n ASN 198 Ca 0.00 0.49 0.12 0.00 -0.02 0.00 0.00 54.58 55.17 3daa n ASN 198 Cb 0.00 -0.49 0.29 0.00 -2.36 0.00 0.00 39.78 37.22 3daa n ASN 198 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3daa n MET 199 N -1.49 0.26 -4.01 -3.83 2.81 -1.26 -0.42 117.12 109.17 3daa n MET 199 Ca 0.03 0.14 -0.09 0.00 -1.81 0.00 0.00 57.70 55.97 3daa n MET 199 Cb 0.15 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 30.85 3daa n MET 199 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3daa s ILE 200 N -3.13 0.10 -0.08 2.02 -4.36 -1.18 -4.76 121.20 109.82 3daa s ILE 200 Ca 0.09 -1.56 -0.20 0.00 -0.26 0.00 0.00 60.65 58.71 3daa s ILE 200 Cb 0.13 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 3daa s ILE 200 CO 0.66 -0.46 0.58 -0.22 0.24 0.00 0.00 174.94 175.74 3daa s LEU 201 N -2.97 4.32 -1.16 0.37 2.96 -1.06 -3.22 118.68 117.91 3daa s LEU 201 Ca 0.17 1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.89 3daa s LEU 201 Cb 0.05 -2.88 0.06 0.00 0.50 0.00 0.00 46.19 43.93 3daa s LEU 201 CO -0.02 -0.02 1.60 -0.75 -1.32 0.00 0.00 176.35 175.84 3daa s LYS 202 N 0.52 3.79 0.59 1.98 2.20 -1.26 -4.94 119.74 122.61 3daa s LYS 202 Ca 0.31 -1.57 -0.19 0.00 -0.36 0.00 0.00 55.97 54.16 3daa s LYS 202 Cb -0.17 -5.45 -0.05 0.00 -1.51 0.00 0.00 37.83 30.66 3daa s LYS 202 CO 0.14 -2.25 1.06 0.41 -0.36 0.00 0.00 175.35 174.36 3daa n GLY 203 N 6.13 -0.06 0.23 5.54 0.00 -1.26 -4.91 105.19 110.85 3daa n GLY 203 Ca 0.41 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 3daa n GLY 203 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3daa h ILE 204 N 0.68 1.28 -0.40 -0.61 1.08 -1.98 -2.12 117.51 115.45 3daa h ILE 204 Ca -0.49 -1.84 -0.10 0.00 -0.39 0.00 0.00 64.86 62.05 3daa h ILE 204 Cb 1.35 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 3daa h ILE 204 CO 0.52 0.59 -0.15 0.74 -0.69 0.00 0.00 178.15 179.16 3daa h THR 205 N 0.56 1.26 -0.27 -0.27 2.02 -1.92 -1.16 112.91 113.13 3daa h THR 205 Ca -0.02 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 65.96 3daa h THR 205 Cb 1.26 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3daa h THR 205 CO 0.14 0.41 0.15 -0.09 0.37 0.00 0.00 175.52 176.50 3daa h ARG 206 N 0.66 0.31 -0.51 6.66 2.43 -1.87 -0.22 114.38 121.84 3daa h ARG 206 Ca 0.11 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3daa h ARG 206 Cb 0.63 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3daa h ARG 206 CO 0.04 0.20 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.26 3daa h ASP 207 N 0.31 0.83 -0.43 -3.80 3.32 -0.87 -1.53 116.42 114.24 3daa h ASP 207 Ca 0.11 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 3daa h ASP 207 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3daa h ASP 207 CO -0.06 0.89 -0.12 0.58 -1.72 0.00 0.00 179.24 178.81 3daa h VAL 208 N 0.80 1.26 -0.56 -1.35 2.07 -0.92 -1.13 116.25 116.42 3daa h VAL 208 Ca 0.15 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3daa h VAL 208 Cb 0.48 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3daa h VAL 208 CO 0.02 0.43 -0.05 0.58 0.02 0.00 0.00 177.57 178.57 3daa h VAL 209 N 0.81 1.26 -0.21 2.57 2.07 -0.73 -0.08 116.25 121.94 3daa h VAL 209 Ca 0.13 -1.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 3daa h VAL 209 Cb 0.65 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3daa h VAL 209 CO 0.05 0.42 -0.38 0.40 0.02 0.00 0.00 177.57 178.08 3daa h ILE 210 N 0.91 1.30 -0.64 4.57 2.04 -1.16 -1.32 117.51 123.21 3daa h ILE 210 Ca 0.15 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.41 3daa h ILE 210 Cb 0.60 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3daa h ILE 210 CO 0.04 0.47 0.07 0.00 0.00 0.00 0.00 178.15 178.73 3daa h ALA 211 N 1.19 0.85 -0.64 1.87 0.00 -0.82 -1.99 119.26 119.72 3daa h ALA 211 Ca 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3daa h ALA 211 Cb 0.85 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3daa h ALA 211 CO 0.07 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.22 3daa h ALA 213 N 1.10 1.16 -0.31 0.00 0.00 -0.97 -1.47 119.26 118.78 3daa h ALA 213 Ca 0.21 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3daa h ALA 213 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3daa h ALA 213 CO -0.02 0.63 -0.29 -0.91 0.00 0.00 0.00 179.25 178.66 3daa h ASN 214 N 1.13 0.65 0.10 0.00 2.35 -1.07 0.36 115.58 119.10 3daa h ASN 214 Ca 0.27 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3daa h ASN 214 Cb 0.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3daa h ASN 214 CO -0.03 0.91 -0.32 -0.33 -1.65 0.00 0.00 177.43 176.01 3daa h GLU 215 N 0.54 0.34 -0.52 0.81 5.08 -0.73 -2.58 114.58 117.51 3daa h GLU 215 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3daa h GLU 215 Cb 0.78 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3daa h GLU 215 CO 0.06 0.63 0.00 0.44 -1.00 0.00 0.00 179.01 179.14 3daa n ILE 216 N -4.09 0.69 -3.30 3.13 -5.35 -0.61 -4.97 119.36 104.87 3daa n ILE 216 Ca -0.01 -0.79 -0.22 0.00 -0.27 0.00 0.00 62.75 61.45 3daa n ILE 216 Cb 0.43 0.64 0.06 0.00 -1.74 0.00 0.00 39.64 39.03 3daa n ILE 216 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3daa n ASN 217 N 1.38 -6.14 -4.71 7.28 3.02 -0.25 -5.01 115.26 110.83 3daa n ASN 217 Ca 0.21 -0.41 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 3daa n ASN 217 Cb 0.56 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 3daa n ASN 217 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3daa s MET 218 N -6.00 4.34 0.23 3.52 1.75 0.11 -5.00 119.30 118.24 3daa s MET 218 Ca 0.44 0.56 -0.32 0.00 -1.25 0.00 0.00 55.69 55.13 3daa s MET 218 Cb -0.20 -3.47 -0.12 0.00 2.84 0.00 0.00 34.83 33.89 3daa s MET 218 CO 0.55 0.07 1.68 -2.30 -0.65 0.00 0.00 175.02 174.37 3daa n PRO 219 N 3.94 2.71 -4.78 4.11 -0.02 -1.26 -4.51 135.00 135.20 3daa n PRO 219 Ca -0.05 0.97 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 3daa n PRO 219 Cb 0.51 -2.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 3daa n PRO 219 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3daa s VAL 220 N 0.87 2.15 -0.25 -1.45 1.01 -1.26 -0.65 120.40 120.83 3daa s VAL 220 Ca 0.73 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3daa s VAL 220 Cb -0.52 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3daa s VAL 220 CO 0.36 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.40 3daa s LYS 221 N 0.70 1.81 -1.31 2.72 1.02 0.28 -4.97 119.74 119.98 3daa s LYS 221 Ca -0.10 -1.12 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 3daa s LYS 221 Cb -0.16 -2.69 0.13 0.00 -0.52 0.00 0.00 37.83 34.59 3daa s LYS 221 CO 0.01 -0.60 1.86 0.39 -0.92 0.00 0.00 175.35 176.09 3daa n GLU 222 N 4.59 3.36 -4.15 1.68 1.02 -1.26 -2.80 120.64 123.08 3daa n GLU 222 Ca -0.12 -3.36 -0.15 0.00 -0.02 0.00 0.00 57.16 53.51 3daa n GLU 222 Cb 0.43 -3.09 -0.13 0.00 -0.02 0.00 0.00 31.44 28.63 3daa n GLU 222 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3daa s ILE 223 N 1.62 0.53 0.55 -3.67 -4.36 -0.67 -3.96 121.20 111.24 3daa s ILE 223 Ca 0.43 -0.61 -0.18 0.00 -0.26 0.00 0.00 60.65 60.03 3daa s ILE 223 Cb 0.08 -0.51 -0.05 0.00 1.25 0.00 0.00 42.46 43.22 3daa s ILE 223 CO -0.01 -0.08 1.06 -2.16 0.24 0.00 0.00 174.94 173.99 3daa s PRO 224 N -0.75 3.48 0.13 0.37 0.04 -1.26 -3.78 135.00 133.22 3daa s PRO 224 Ca -0.03 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.41 3daa s PRO 224 Cb -0.06 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3daa s PRO 224 CO 0.00 -0.69 -0.20 -0.59 0.04 0.00 0.00 177.00 175.56 3daa s PHE 225 N -2.21 1.80 0.74 0.56 -0.12 -1.26 -5.01 117.98 112.47 3daa s PHE 225 Ca 0.66 -0.44 -0.09 0.00 -0.05 0.00 0.00 56.93 57.01 3daa s PHE 225 Cb -0.17 -0.95 0.06 0.00 -0.63 0.00 0.00 43.02 41.33 3daa s PHE 225 CO 0.30 0.25 1.09 0.95 -0.05 0.00 0.00 175.22 177.76 3daa s THR 226 N -1.49 2.40 0.33 -4.49 -4.23 -1.26 -0.69 115.64 106.21 3daa s THR 226 Ca 0.10 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 3daa s THR 226 Cb -0.08 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 70.88 3daa s THR 226 CO 0.05 -0.11 1.93 0.71 -0.54 0.00 0.00 174.62 176.66 3daa h THR 227 N -0.78 1.19 -0.26 3.99 1.35 -0.85 -0.80 112.91 116.76 3daa h THR 227 Ca -0.45 -0.55 -0.14 0.00 -0.55 0.00 0.00 66.41 64.72 3daa h THR 227 Cb 1.31 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3daa h THR 227 CO 0.63 0.22 -0.42 0.45 -0.25 0.00 0.00 175.52 176.15 3daa h HIS 228 N 0.76 0.76 -0.22 4.73 3.86 -1.94 -2.52 115.15 120.58 3daa h HIS 228 Ca 0.19 -0.23 -0.17 0.00 -1.16 0.00 0.00 60.37 59.00 3daa h HIS 228 Cb 0.11 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3daa h HIS 228 CO 0.01 0.95 -0.57 0.93 0.86 0.00 0.00 177.93 180.11 3daa h GLU 229 N 0.51 0.68 -0.92 2.45 5.08 -1.86 -3.02 114.58 117.51 3daa h GLU 229 Ca 0.04 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3daa h GLU 229 Cb 0.95 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3daa h GLU 229 CO 0.09 1.06 0.60 0.00 -1.00 0.00 0.00 179.01 179.76 3daa h ALA 230 N 0.84 1.42 0.00 3.43 0.00 -1.02 -1.68 119.26 122.25 3daa h ALA 230 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3daa h ALA 230 Cb 1.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3daa h ALA 230 CO 0.11 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 3daa h LEU 231 N 1.15 0.00 -3.36 0.00 3.38 -1.32 -2.68 115.31 112.47 3daa h LEU 231 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3daa h LEU 231 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3daa h LEU 231 CO -0.11 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.81 3daa n LYS 232 N -3.47 3.79 -2.50 1.13 5.02 -0.65 -4.63 118.16 116.85 3daa n LYS 232 Ca -0.01 -2.95 -0.33 0.00 -2.02 0.00 0.00 58.31 53.00 3daa n LYS 232 Cb 0.25 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 3daa n LYS 232 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3daa s MET 233 N -2.66 3.94 0.15 1.97 -1.94 -1.01 -4.97 119.30 114.77 3daa s MET 233 Ca 0.47 1.08 -0.08 0.00 -1.71 0.00 0.00 55.69 55.45 3daa s MET 233 Cb 0.36 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 35.05 3daa s MET 233 CO 0.13 -0.28 1.42 -0.44 -0.01 0.00 0.00 175.02 175.85 3daa h ASP 234 N 1.23 0.80 -5.16 3.03 3.32 -1.19 -3.37 116.42 115.07 3daa h ASP 234 Ca -0.48 -0.46 -0.13 0.00 0.02 0.00 0.00 57.03 55.99 3daa h ASP 234 Cb 1.19 -0.23 -0.16 0.00 0.22 0.00 0.00 39.33 40.35 3daa h ASP 234 CO 0.61 1.22 -0.63 -1.61 -1.72 0.00 0.00 179.24 177.11 3daa s GLU 235 N -3.96 0.58 -0.15 3.56 2.02 -0.77 -4.64 118.70 115.34 3daa s GLU 235 Ca -0.09 -1.01 -0.18 0.00 0.02 0.00 0.00 54.97 53.71 3daa s GLU 235 Cb 0.10 0.21 0.05 0.00 0.10 0.00 0.00 34.13 34.59 3daa s GLU 235 CO 0.87 -0.12 0.49 -1.17 0.02 0.00 0.00 175.26 175.35 3daa s LEU 236 N -2.54 0.14 0.20 1.80 2.96 -1.26 -0.72 118.68 119.26 3daa s LEU 236 Ca 0.01 0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 54.55 3daa s LEU 236 Cb 0.03 1.72 0.05 0.00 0.50 0.00 0.00 46.19 48.49 3daa s LEU 236 CO -0.08 -0.26 0.63 0.72 -1.32 0.00 0.00 176.35 176.04 3daa s PHE 237 N -0.11 -0.36 0.13 5.38 -0.12 -0.80 -0.85 117.98 121.25 3daa s PHE 237 Ca -0.03 0.05 0.10 0.00 -0.05 0.00 0.00 56.93 57.00 3daa s PHE 237 Cb -0.03 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 3daa s PHE 237 CO 0.02 -0.98 -0.25 0.14 -0.05 0.00 0.00 175.22 174.10 3daa s VAL 238 N -3.82 2.11 0.01 -2.49 -7.23 -0.03 -0.81 120.40 108.14 3daa s VAL 238 Ca 0.05 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.53 3daa s VAL 238 Cb -0.03 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 3daa s VAL 238 CO -0.05 0.00 -0.16 0.42 -0.31 0.00 0.00 175.10 175.00 3daa s THR 239 N -1.22 1.26 0.04 5.32 -4.23 0.13 -1.61 115.64 115.33 3daa s THR 239 Ca 0.13 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.51 3daa s THR 239 Cb -0.09 -1.09 0.09 0.00 1.34 0.00 0.00 72.50 72.75 3daa s THR 239 CO 0.06 0.22 0.88 -0.94 -0.54 0.00 0.00 174.62 174.30 3daa s SER 240 N -0.73 -0.34 0.31 3.99 1.04 -1.19 -0.92 113.70 115.86 3daa s SER 240 Ca 0.05 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.43 3daa s SER 240 Cb -0.07 0.42 0.63 0.00 0.10 0.00 0.00 66.02 67.11 3daa s SER 240 CO 0.00 -0.71 1.87 0.74 0.98 0.00 0.00 173.24 176.12 3daa h THR 241 N 2.00 0.93 0.00 2.02 2.02 -1.90 0.75 112.91 118.73 3daa h THR 241 Ca -0.23 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.48 3daa h THR 241 Cb 1.24 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3daa h THR 241 CO 0.30 0.17 -1.46 0.35 0.37 0.00 0.00 175.52 175.25 3daa n THR 242 N -4.56 1.11 0.74 3.16 -2.24 -1.26 -4.26 114.28 106.97 3daa n THR 242 Ca 0.17 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.38 3daa n THR 242 Cb 0.35 -0.67 0.07 0.00 -2.10 0.00 0.00 70.33 67.98 3daa n THR 242 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3daa n SER 243 N -2.84 0.64 0.00 3.42 7.64 -1.01 -4.56 113.62 116.91 3daa n SER 243 Ca -0.10 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3daa n SER 243 Cb 0.83 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.67 3daa n SER 243 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3daa n GLU 244 N -1.78 0.00 -3.56 1.43 1.02 0.23 -3.25 120.64 114.73 3daa n GLU 244 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 3daa n GLU 244 Cb 0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.74 3daa n GLU 244 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3daa s ILE 245 N 0.00 4.42 -0.38 -3.67 1.01 -1.26 -3.18 121.20 118.13 3daa s ILE 245 Ca 0.00 -2.49 -0.16 0.00 0.00 0.00 0.00 60.65 58.00 3daa s ILE 245 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3daa s ILE 245 CO 0.00 -0.90 0.36 -0.89 0.00 0.00 0.00 174.94 173.52 3daa s THR 246 N 0.40 5.17 0.27 2.92 2.01 -0.64 -4.75 115.64 121.02 3daa s THR 246 Ca 0.14 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 3daa s THR 246 Cb -0.19 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 3daa s THR 246 CO -0.04 -0.24 1.26 -2.16 -0.69 0.00 0.00 174.62 172.74 3daa s PRO 247 N 1.95 4.43 -0.30 4.92 0.04 -1.26 -0.85 135.00 143.93 3daa s PRO 247 Ca 0.10 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 3daa s PRO 247 Cb -0.17 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3daa s PRO 247 CO 0.12 -0.13 0.13 0.08 0.04 0.00 0.00 177.00 177.24 3daa s VAL 248 N -0.64 4.46 -0.80 -0.36 1.01 -0.03 -0.21 120.40 123.84 3daa s VAL 248 Ca 0.51 -0.45 0.18 0.00 0.00 0.00 0.00 61.98 62.22 3daa s VAL 248 Cb -0.37 -3.27 -0.20 0.00 0.00 0.00 0.00 36.38 32.54 3daa s VAL 248 CO 0.44 0.09 0.74 2.30 0.00 0.00 0.00 175.10 178.68 3daa n ILE 249 N 4.96 0.00 -3.69 2.22 -6.64 -0.47 -4.29 119.36 111.45 3daa n ILE 249 Ca -0.14 -0.10 -0.13 0.00 -1.77 0.00 0.00 62.75 60.61 3daa n ILE 249 Cb 0.49 0.94 -0.09 0.00 -1.44 0.00 0.00 39.64 39.54 3daa n ILE 249 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 3daa s GLU 250 N -2.74 0.60 -0.19 6.28 2.12 -1.21 -1.29 118.70 122.27 3daa s GLU 250 Ca 0.06 0.76 -0.01 0.00 0.36 0.00 0.00 54.97 56.14 3daa s GLU 250 Cb 0.13 0.26 0.05 0.00 0.26 0.00 0.00 34.13 34.84 3daa s GLU 250 CO 0.74 -0.08 -0.03 0.42 -0.54 0.00 0.00 175.26 175.77 3daa s ILE 251 N 0.43 1.03 -1.33 -3.70 1.01 0.03 -0.09 121.20 118.58 3daa s ILE 251 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3daa s ILE 251 Cb -0.04 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.11 3daa s ILE 251 CO -0.01 -0.02 0.74 0.47 0.00 0.00 0.00 174.94 176.12 3daa n ASP 252 N 4.88 -1.62 0.00 3.58 8.00 -0.70 -1.52 116.55 129.18 3daa n ASP 252 Ca -0.11 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3daa n ASP 252 Cb 0.47 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 3daa n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3daa n GLY 253 N -1.58 2.96 3.63 0.44 0.00 -1.26 -4.99 105.19 104.39 3daa n GLY 253 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 3daa n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daa s LYS 254 N -0.04 4.11 0.26 1.61 -0.14 -0.57 -5.05 119.74 119.92 3daa s LYS 254 Ca 0.00 0.42 -0.30 0.00 -1.36 0.00 0.00 55.97 54.74 3daa s LYS 254 Cb 0.00 -3.63 -0.09 0.00 -1.68 0.00 0.00 37.83 32.43 3daa s LYS 254 CO 0.00 -0.32 1.24 -0.51 -0.76 0.00 0.00 175.35 174.99 3daa s LEU 255 N 2.21 4.46 -0.63 3.17 1.43 -1.26 -0.79 118.68 127.27 3daa s LEU 255 Ca 0.24 2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 55.51 3daa s LEU 255 Cb -0.16 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3daa s LEU 255 CO 0.09 -0.41 1.08 -0.63 0.23 0.00 0.00 176.35 176.72 3daa s ILE 256 N -0.61 4.13 0.00 -0.59 -1.09 -0.41 -4.80 121.20 117.84 3daa s ILE 256 Ca 0.51 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 3daa s ILE 256 Cb -0.36 -4.70 0.00 0.00 -1.58 0.00 0.00 42.46 35.82 3daa s ILE 256 CO 0.43 -1.42 0.00 -1.14 -1.23 0.00 0.00 174.94 171.58 3daa n ARG 257 N 8.19 0.00 -0.08 2.79 0.63 -1.26 -1.44 116.66 125.48 3daa n ARG 257 Ca 0.02 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.07 3daa n ARG 257 Cb 0.48 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.73 3daa n ARG 257 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3daa n ASP 258 N 9.55 2.12 -0.48 6.15 8.00 -1.26 -4.92 116.55 135.71 3daa n ASP 258 Ca 0.00 -1.76 -0.05 0.00 0.71 0.00 0.00 54.79 53.69 3daa n ASP 258 Cb 0.00 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3daa n ASP 258 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3daa n GLY 259 N 1.23 0.59 3.46 0.44 0.00 -0.52 -5.04 105.19 105.35 3daa n GLY 259 Ca 0.17 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3daa n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daa s LYS 260 N -3.05 1.66 0.09 1.61 1.02 -1.26 -4.91 119.74 114.91 3daa s LYS 260 Ca 0.00 -1.33 -0.31 0.00 0.02 0.00 0.00 55.97 54.35 3daa s LYS 260 Cb 0.00 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3daa s LYS 260 CO 0.00 0.44 1.58 0.08 -0.92 0.00 0.00 175.35 176.54 3daa s VAL 261 N -1.35 3.01 0.81 3.17 1.01 -1.26 -4.97 120.40 120.83 3daa s VAL 261 Ca 0.19 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 3daa s VAL 261 Cb -0.09 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 33.00 3daa s VAL 261 CO 0.10 0.01 1.09 -0.83 0.00 0.00 0.00 175.10 175.48 3daa s GLY 262 N 1.91 1.63 0.11 4.51 0.00 -1.26 -4.95 107.32 109.26 3daa s GLY 262 Ca 0.71 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 45.09 3daa s GLY 262 CO 0.31 0.28 1.68 -2.09 0.00 0.00 0.00 173.10 173.29 3daa h GLU 263 N -1.16 0.33 -0.05 2.90 4.81 -1.96 -2.46 114.58 116.99 3daa h GLU 263 Ca -0.47 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.57 3daa h GLU 263 Cb 1.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3daa h GLU 263 CO 0.58 0.34 -0.60 -1.49 -0.73 0.00 0.00 179.01 177.10 3daa h TRP 264 N 0.25 0.22 -0.76 0.92 4.06 -1.99 -1.73 115.95 116.93 3daa h TRP 264 Ca 0.08 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3daa h TRP 264 Cb 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3daa h TRP 264 CO -0.02 0.73 0.35 1.15 -3.56 0.00 0.00 178.44 177.09 3daa h THR 265 N 0.13 1.24 -0.23 1.49 2.02 -1.94 0.72 112.91 116.34 3daa h THR 265 Ca -0.01 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 3daa h THR 265 Cb 1.10 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3daa h THR 265 CO 0.09 0.29 -0.05 0.03 0.37 0.00 0.00 175.52 176.26 3daa h ARG 266 N 1.08 0.43 -0.68 6.66 2.47 -1.17 -0.61 114.38 122.56 3daa h ARG 266 Ca 0.26 -0.16 0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3daa h ARG 266 Cb 0.13 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 3daa h ARG 266 CO -0.03 0.66 0.45 0.87 0.56 0.00 0.00 179.97 182.48 3daa h LYS 267 N 0.17 0.89 -0.53 0.04 1.57 -0.93 -0.54 116.57 117.24 3daa h LYS 267 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3daa h LYS 267 Cb 0.49 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3daa h LYS 267 CO 0.02 0.59 0.19 -0.07 -0.57 0.00 0.00 179.45 179.61 3daa h LEU 268 N 0.91 0.74 -0.95 2.94 3.38 -0.73 -2.24 115.31 119.36 3daa h LEU 268 Ca 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3daa h LEU 268 Cb -0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3daa h LEU 268 CO -0.06 0.73 0.42 1.56 0.09 0.00 0.00 178.44 181.18 3daa h GLN 269 N 0.71 1.16 -0.41 1.13 4.20 -0.72 -0.86 115.11 120.32 3daa h GLN 269 Ca 0.17 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3daa h GLN 269 Cb 0.23 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3daa h GLN 269 CO -0.01 0.88 0.25 -0.22 -0.67 0.00 0.00 178.83 179.05 3daa h LYS 270 N 1.16 0.57 -0.21 1.46 3.64 -0.80 -1.54 116.57 120.84 3daa h LYS 270 Ca 0.29 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 3daa h LYS 270 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3daa h LYS 270 CO -0.04 0.43 -0.38 0.37 -2.27 0.00 0.00 179.45 177.55 3daa h GLN 271 N 0.55 0.48 -0.28 1.90 5.75 -1.11 -2.79 115.11 119.61 3daa h GLN 271 Ca 0.15 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3daa h GLN 271 Cb 0.01 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3daa h GLN 271 CO -0.03 0.79 -0.13 0.35 -2.65 0.00 0.00 178.83 177.16 3daa h PHE 272 N 0.40 0.51 0.00 3.99 3.57 -0.84 -2.57 116.94 122.00 3daa h PHE 272 Ca 0.04 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3daa h PHE 272 Cb 0.85 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3daa h PHE 272 CO 0.03 0.59 -0.19 1.49 -2.23 0.00 0.00 178.31 178.01 3daa h GLU 273 N 0.44 0.00 0.00 1.11 4.57 -1.00 -1.69 114.58 118.00 3daa h GLU 273 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3daa h GLU 273 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3daa h GLU 273 CO 0.03 0.19 0.00 1.79 -1.18 0.00 0.00 179.01 179.84 3daa h THR 274 N 0.00 0.00 0.00 0.32 1.35 -1.43 -3.04 112.91 110.11 3daa h THR 274 Ca -0.00 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.39 3daa h THR 274 Cb 0.41 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3daa h THR 274 CO 0.02 0.00 -1.37 0.29 -0.25 0.00 0.00 175.52 174.22 3daa n LYS 275 N -2.39 0.62 -1.70 4.72 4.76 -0.64 -4.95 118.16 118.58 3daa n LYS 275 Ca 0.03 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 3daa n LYS 275 Cb 0.28 -1.80 -0.02 0.00 -1.84 0.00 0.00 35.03 31.65 3daa n LYS 275 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3daa n ILE 276 N -2.83 0.87 0.32 -0.18 2.08 -1.15 -5.01 119.36 113.46 3daa n ILE 276 Ca -0.08 -0.22 0.03 0.00 0.56 0.00 0.00 62.75 63.04 3daa n ILE 276 Cb 0.79 -1.71 0.15 0.00 -0.75 0.00 0.00 39.64 38.11 3daa n ILE 276 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46