#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 2.56 -0.04 1.61 2.02 -1.26 -2.43 117.35 119.81 3daa s TYR 2 Ca 0.00 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 3daa s TYR 2 Cb 0.00 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3daa s TYR 2 CO 0.00 0.12 -0.23 0.99 -1.57 0.00 0.00 175.55 174.85 3daa s THR 3 N -0.71 1.91 -0.20 -0.71 2.01 0.15 -4.59 115.64 113.51 3daa s THR 3 Ca 0.11 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 3daa s THR 3 Cb -0.10 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3daa s THR 3 CO 0.00 0.53 1.08 -0.22 -0.69 0.00 0.00 174.62 175.33 3daa s LEU 4 N -0.24 4.14 -0.35 4.42 2.96 0.23 -1.50 118.68 128.34 3daa s LEU 4 Ca 0.00 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 3daa s LEU 4 Cb -0.12 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.13 3daa s LEU 4 CO 0.02 -0.66 0.11 0.86 -1.32 0.00 0.00 176.35 175.36 3daa s TRP 5 N 3.08 2.44 0.00 5.38 -0.00 0.21 -1.21 118.94 128.83 3daa s TRP 5 Ca 0.47 -2.28 0.00 0.00 -0.00 0.00 0.00 56.10 54.29 3daa s TRP 5 Cb -0.17 -2.16 0.00 0.00 -0.00 0.00 0.00 33.47 31.14 3daa s TRP 5 CO 0.10 -0.88 0.00 0.09 -0.00 0.00 0.00 176.95 176.25 3daa n ASN 6 N 4.42 0.00 -0.79 5.86 3.02 -0.03 -2.41 115.26 125.32 3daa n ASN 6 Ca 0.02 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.61 3daa n ASN 6 Cb 0.41 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.64 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 5.40 1.01 -4.11 6.41 5.68 -1.26 -4.85 116.55 124.83 3daa n ASP 7 Ca 0.00 -2.50 -0.22 0.00 -0.50 0.00 0.00 54.79 51.57 3daa n ASP 7 Cb 0.00 -0.33 -0.15 0.00 -1.14 0.00 0.00 41.12 39.51 3daa n ASP 7 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3daa s GLN 8 N -1.02 1.07 -0.80 0.11 -1.52 -1.01 -5.09 119.66 111.40 3daa s GLN 8 Ca 0.23 -0.56 -0.14 0.00 -1.95 0.00 0.00 55.36 52.95 3daa s GLN 8 Cb 0.24 -1.05 0.21 0.00 -0.22 0.00 0.00 33.01 32.19 3daa s GLN 8 CO -0.07 0.28 0.74 0.42 -0.25 0.00 0.00 175.29 176.41 3daa s ILE 9 N -0.45 5.52 0.54 1.08 -1.09 -1.26 -0.62 121.20 124.92 3daa s ILE 9 Ca 0.04 -2.43 0.09 0.00 -2.23 0.00 0.00 60.65 56.12 3daa s ILE 9 Cb -0.06 -4.42 0.06 0.00 -1.58 0.00 0.00 42.46 36.46 3daa s ILE 9 CO -0.00 -1.01 0.67 0.68 -1.23 0.00 0.00 174.94 174.05 3daa s VAL 10 N 0.25 2.16 0.34 2.92 -7.23 -0.56 -4.81 120.40 113.47 3daa s VAL 10 Ca 0.17 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.96 3daa s VAL 10 Cb -0.12 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 3daa s VAL 10 CO -0.08 0.00 1.00 -0.54 -0.31 0.00 0.00 175.10 175.17 3daa s LYS 11 N -4.53 4.44 0.37 4.82 1.02 -1.26 0.32 119.74 124.93 3daa s LYS 11 Ca 0.55 1.46 0.21 0.00 0.02 0.00 0.00 55.97 58.21 3daa s LYS 11 Cb -0.05 -2.76 1.30 0.00 -0.52 0.00 0.00 37.83 35.79 3daa s LYS 11 CO 0.34 0.12 1.61 -0.44 -0.92 0.00 0.00 175.35 176.06 3daa h ASP 12 N 3.02 0.36 1.11 2.83 5.19 -1.81 0.71 116.42 127.83 3daa h ASP 12 Ca -0.47 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 3daa h ASP 12 Cb 1.20 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.93 3daa h ASP 12 CO 0.64 -0.32 -0.00 -0.62 -3.12 0.00 0.00 179.24 175.82 3daa n GLU 13 N -5.11 0.06 0.00 3.56 4.71 -1.26 -3.52 120.64 119.07 3daa n GLU 13 Ca 0.36 0.05 0.14 0.00 -0.01 0.00 0.00 57.16 57.70 3daa n GLU 13 Cb 1.24 -1.57 0.56 0.00 -1.01 0.00 0.00 31.44 30.66 3daa n GLU 13 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3daa n GLU 14 N -1.68 1.47 -3.13 3.49 2.13 0.24 -4.88 120.64 118.28 3daa n GLU 14 Ca 0.07 -0.78 -0.39 0.00 0.66 0.00 0.00 57.16 56.71 3daa n GLU 14 Cb 0.36 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.54 3daa n GLU 14 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3daa s VAL 15 N -2.07 5.08 -0.29 6.31 1.01 -1.23 -5.01 120.40 124.21 3daa s VAL 15 Ca 0.37 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.68 3daa s VAL 15 Cb 0.21 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3daa s VAL 15 CO 0.36 0.28 -0.06 -0.54 0.00 0.00 0.00 175.10 175.15 3daa s LYS 16 N 0.69 1.98 -0.19 2.72 -0.14 -1.26 -5.09 119.74 118.44 3daa s LYS 16 Ca 0.34 -1.52 -0.13 0.00 -1.36 0.00 0.00 55.97 53.30 3daa s LYS 16 Cb -0.17 -2.99 -0.05 0.00 -1.68 0.00 0.00 37.83 32.95 3daa s LYS 16 CO 0.16 -0.69 0.26 0.42 -0.76 0.00 0.00 175.35 174.74 3daa s ILE 17 N 1.04 5.31 0.37 2.17 -1.09 -1.26 -5.08 121.20 122.66 3daa s ILE 17 Ca -0.02 0.45 -0.21 0.00 -2.23 0.00 0.00 60.65 58.64 3daa s ILE 17 Cb -0.20 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 3daa s ILE 17 CO -0.06 0.35 0.90 -0.62 -1.23 0.00 0.00 174.94 174.28 3daa s ASP 18 N 0.72 7.02 0.55 3.58 -1.08 -1.26 -4.96 116.67 121.24 3daa s ASP 18 Ca 0.14 1.64 0.31 0.00 -0.52 0.00 0.00 52.55 54.11 3daa s ASP 18 Cb -0.13 -2.51 1.59 0.00 -1.46 0.00 0.00 42.92 40.41 3daa s ASP 18 CO 0.04 -0.23 2.11 0.07 0.52 0.00 0.00 175.17 177.68 3daa h LYS 19 N 2.40 0.00 -0.55 4.34 2.10 -2.01 -2.28 116.57 120.57 3daa h LYS 19 Ca -0.48 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.10 3daa h LYS 19 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 3daa h LYS 19 CO 0.63 0.08 0.07 0.39 -2.00 0.00 0.00 179.45 178.62 3daa n GLU 20 N -3.50 4.10 -2.29 0.07 1.02 -1.26 -4.64 120.64 114.14 3daa n GLU 20 Ca -0.02 -3.09 -0.42 0.00 -0.02 0.00 0.00 57.16 53.61 3daa n GLU 20 Cb 0.22 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 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 -1.15 6.91 0.47 1.62 -1.08 -0.86 -2.52 116.67 120.07 3daa s ASP 21 Ca 0.52 2.07 0.31 0.00 -0.52 0.00 0.00 52.55 54.94 3daa s ASP 21 Cb 0.41 -2.57 1.70 0.00 -1.46 0.00 0.00 42.92 41.01 3daa s ASP 21 CO 0.13 -0.65 1.96 0.03 0.52 0.00 0.00 175.17 177.16 3daa h ARG 22 N 7.49 0.00 0.00 4.34 3.08 -1.38 -0.13 114.38 127.79 3daa h ARG 22 Ca -0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 3daa h ARG 22 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3daa h ARG 22 CO 0.88 0.00 -0.03 0.78 -1.07 0.00 0.00 179.97 180.53 3daa h GLY 23 N 0.00 0.00 0.76 0.04 0.00 -1.83 -1.53 103.07 100.52 3daa h GLY 23 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 3daa h GLY 23 CO 0.00 0.00 -1.87 2.98 0.00 0.00 0.00 176.54 177.65 3daa n TYR 24 N -3.11 0.92 -0.01 5.60 9.36 -0.08 -2.94 117.16 126.90 3daa n TYR 24 Ca 0.03 0.29 0.02 0.00 3.32 0.00 0.00 57.90 61.56 3daa n TYR 24 Cb 0.47 -1.16 -0.12 0.00 -0.63 0.00 0.00 39.34 37.90 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 -3.12 0.65 0.00 2.98 6.02 -1.09 -4.64 117.38 118.17 3daa n GLN 25 Ca -0.23 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 3daa n GLN 25 Cb 1.06 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.68 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 -2.63 0.00 -1.98 1.08 3.72 -0.65 -4.98 117.46 112.02 3daa n PHE 26 Ca -0.13 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.14 3daa n PHE 26 Cb 0.80 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.32 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 0.19 0.34 3.50 1.37 0.00 -1.00 -4.88 105.19 104.70 3daa n GLY 27 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.51 4.35 -3.72 1.61 2.03 -0.77 -3.94 116.55 115.60 3daa n ASP 28 Ca -0.16 -2.86 0.03 0.00 0.52 0.00 0.00 54.79 52.33 3daa n ASP 28 Cb 0.57 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 4.70 -0.32 0.21 0.27 0.00 -1.26 -2.35 107.32 108.56 3daa s GLY 29 Ca 0.57 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.81 3daa s GLY 29 CO 0.08 2.74 -0.01 -1.34 0.00 0.00 0.00 173.10 174.57 3daa s VAL 30 N -2.14 0.99 0.29 1.40 -7.23 -0.51 -1.79 120.40 111.41 3daa s VAL 30 Ca 0.21 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 3daa s VAL 30 Cb 0.03 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3daa s VAL 30 CO -0.04 -0.40 0.52 -0.72 -0.31 0.00 0.00 175.10 174.15 3daa s TYR 31 N -3.45 0.55 0.12 2.82 1.13 -0.70 -1.58 117.35 116.25 3daa s TYR 31 Ca 0.26 -0.91 -0.10 0.00 -1.41 0.00 0.00 57.07 54.91 3daa s TYR 31 Cb 0.05 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 3daa s TYR 31 CO 0.07 -1.11 0.26 -1.21 -2.51 0.00 0.00 175.55 171.05 3daa s GLU 32 N -3.50 1.00 -0.06 -3.49 0.41 0.19 -4.86 118.70 108.38 3daa s GLU 32 Ca 0.24 -0.98 -0.01 0.00 -0.41 0.00 0.00 54.97 53.81 3daa s GLU 32 Cb -0.01 0.38 0.03 0.00 -1.78 0.00 0.00 34.13 32.74 3daa s GLU 32 CO 0.13 -0.35 -0.00 0.08 -0.49 0.00 0.00 175.26 174.62 3daa s VAL 33 N -3.89 0.35 -0.10 2.63 1.01 -1.26 -2.15 120.40 116.99 3daa s VAL 33 Ca 0.08 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3daa s VAL 33 Cb 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3daa s VAL 33 CO -0.07 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 3daa s VAL 34 N 1.63 2.57 0.14 2.92 1.01 -0.43 -4.88 120.40 123.35 3daa s VAL 34 Ca -0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 3daa s VAL 34 Cb -0.13 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 3daa s VAL 34 CO -0.04 0.55 0.78 -0.75 0.00 0.00 0.00 175.10 175.65 3daa s LYS 35 N 0.18 4.56 -0.16 2.72 2.47 -1.26 -0.48 119.74 127.77 3daa s LYS 35 Ca -0.11 1.16 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 3daa s LYS 35 Cb -0.16 -3.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.93 3daa s LYS 35 CO 0.06 0.49 -0.16 0.08 0.16 0.00 0.00 175.35 175.99 3daa s VAL 36 N -0.87 2.53 -0.29 4.02 1.01 0.15 -1.55 120.40 125.40 3daa s VAL 36 Ca 0.37 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3daa s VAL 36 Cb -0.23 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.12 3daa s VAL 36 CO 0.26 0.51 0.00 -0.31 0.00 0.00 0.00 175.10 175.57 3daa s TYR 37 N 0.98 3.19 -1.33 5.22 1.51 0.38 -1.34 117.35 125.97 3daa s TYR 37 Ca -0.02 -1.62 -0.01 0.00 -1.01 0.00 0.00 57.07 54.40 3daa s TYR 37 Cb -0.15 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 3daa s TYR 37 CO -0.03 -0.75 0.59 -1.71 -1.11 0.00 0.00 175.55 172.54 3daa n ASN 38 N 4.69 -1.10 0.00 2.29 5.15 -0.18 -1.48 115.26 124.63 3daa n ASN 38 Ca -0.14 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 3daa n ASN 38 Cb 0.45 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.07 3daa n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3daa n GLY 39 N -1.74 0.43 3.34 8.20 0.00 0.15 -4.98 105.19 110.59 3daa n GLY 39 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3daa n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3daa s GLU 40 N -0.57 3.34 0.06 1.61 2.56 -0.55 -5.00 118.70 120.15 3daa s GLU 40 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 54.97 53.97 3daa s GLU 40 Cb 0.00 -2.64 -0.05 0.00 2.00 0.00 0.00 34.13 33.44 3daa s GLU 40 CO 0.00 0.15 1.08 -1.64 -0.56 0.00 0.00 175.26 174.29 3daa s MET 41 N 0.50 4.53 -0.10 4.30 -1.94 -1.26 -0.47 119.30 124.86 3daa s MET 41 Ca -0.09 1.60 -0.14 0.00 -1.71 0.00 0.00 55.69 55.35 3daa s MET 41 Cb -0.16 -3.38 -0.05 0.00 2.01 0.00 0.00 34.83 33.25 3daa s MET 41 CO 0.04 -0.08 0.35 0.12 -0.01 0.00 0.00 175.02 175.43 3daa s PHE 42 N 0.74 3.57 -1.35 -0.03 5.36 -0.60 -4.47 117.98 121.20 3daa s PHE 42 Ca 0.54 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 57.24 3daa s PHE 42 Cb -0.26 -2.32 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 3daa s PHE 42 CO 0.30 0.40 0.07 0.25 -1.46 0.00 0.00 175.22 174.78 3daa n THR 43 N 2.89 -0.73 -0.19 0.12 -2.24 -1.26 -4.51 114.28 108.36 3daa n THR 43 Ca -0.12 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 3daa n THR 43 Cb 0.52 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.28 1.25 -0.26 2.28 3.04 -1.95 -2.68 116.25 116.65 3daa h VAL 44 Ca -0.55 -0.90 -0.06 0.00 -1.01 0.00 0.00 66.70 64.18 3daa h VAL 44 Cb 1.19 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 3daa h VAL 44 CO 0.62 0.33 -0.11 0.78 -1.01 0.00 0.00 177.57 178.18 3daa h ASN 45 N 0.75 0.40 -0.48 3.17 2.35 -1.96 -0.42 115.58 119.39 3daa h ASN 45 Ca 0.16 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 3daa h ASN 45 Cb 0.37 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3daa h ASN 45 CO 0.01 0.54 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.84 3daa h GLU 46 N 0.39 0.98 -0.27 0.81 3.07 -1.91 -0.73 114.58 116.93 3daa h GLU 46 Ca 0.08 -0.38 -0.19 0.00 -0.50 0.00 0.00 59.36 58.37 3daa h GLU 46 Cb 0.43 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3daa h GLU 46 CO 0.02 1.05 -0.58 0.45 -1.40 0.00 0.00 179.01 178.55 3daa h HIS 47 N 0.86 1.09 -0.67 4.33 3.86 -1.13 -2.20 115.15 121.28 3daa h HIS 47 Ca 0.12 -0.40 -0.04 0.00 -1.16 0.00 0.00 60.37 58.89 3daa h HIS 47 Cb 0.72 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 3daa h HIS 47 CO 0.05 1.23 0.27 0.82 0.86 0.00 0.00 177.93 181.15 3daa h ILE 48 N 0.65 1.24 -0.70 2.45 2.04 -0.99 -0.36 117.51 121.84 3daa h ILE 48 Ca 0.00 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3daa h ILE 48 Cb 1.19 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3daa h ILE 48 CO 0.13 0.30 0.45 0.44 0.00 0.00 0.00 178.15 179.47 3daa h ASP 49 N 0.95 0.77 -0.39 1.72 3.32 -1.06 -2.13 116.42 119.61 3daa h ASP 49 Ca 0.22 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3daa h ASP 49 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3daa h ASP 49 CO -0.02 0.55 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.77 3daa h ARG 50 N 0.91 0.88 -0.22 3.56 2.43 -0.91 -1.74 114.38 119.29 3daa h ARG 50 Ca 0.26 -0.35 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3daa h ARG 50 Cb -0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3daa h ARG 50 CO -0.07 0.99 -0.02 1.25 -1.51 0.00 0.00 179.97 180.61 3daa h LEU 51 N 0.77 -0.14 -0.79 3.80 5.85 -0.57 0.33 115.31 124.56 3daa h LEU 51 Ca 0.11 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3daa h LEU 51 Cb 0.73 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3daa h LEU 51 CO 0.06 -0.04 0.30 1.88 -0.34 0.00 0.00 178.44 180.30 3daa h TYR 52 N 0.04 1.21 -0.22 1.25 -1.99 -1.30 -0.35 116.97 115.60 3daa h TYR 52 Ca 0.10 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 3daa h TYR 52 Cb 0.14 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 3daa h TYR 52 CO -0.20 0.92 0.05 0.00 -0.00 0.00 0.00 178.16 178.93 3daa h ALA 53 N 1.16 0.30 -0.44 3.88 0.00 -0.70 -0.43 119.26 123.02 3daa h ALA 53 Ca 0.26 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3daa h ALA 53 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3daa h ALA 53 CO -0.02 -0.05 0.24 0.77 0.00 0.00 0.00 179.25 180.19 3daa h SER 54 N 0.18 0.37 0.10 0.00 0.02 -0.13 -1.63 113.55 112.46 3daa h SER 54 Ca 0.07 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3daa h SER 54 Cb 0.28 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3daa h SER 54 CO 0.00 0.27 -0.05 0.00 -1.14 0.00 0.00 176.83 175.91 3daa h ALA 55 N 1.22 -0.13 0.00 3.77 0.00 -0.88 -2.84 119.26 120.38 3daa h ALA 55 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3daa h ALA 55 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3daa h ALA 55 CO -0.11 -0.57 -0.18 1.49 0.00 0.00 0.00 179.25 179.88 3daa h GLU 56 N -0.14 0.00 0.00 0.00 4.57 -0.91 0.10 114.58 118.20 3daa h GLU 56 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3daa h GLU 56 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3daa h GLU 56 CO 0.02 0.18 -0.12 0.87 -1.18 0.00 0.00 179.01 178.78 3daa h LYS 57 N 0.00 0.00 -0.30 1.92 1.57 -1.05 -1.37 116.57 117.34 3daa h LYS 57 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3daa h LYS 57 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3daa h LYS 57 CO 0.02 0.12 -0.03 0.44 -0.57 0.00 0.00 179.45 179.44 3daa n ILE 58 N -3.76 2.40 -2.17 1.86 -5.35 -0.74 -4.98 119.36 106.63 3daa n ILE 58 Ca -0.02 -2.31 -0.16 0.00 -0.27 0.00 0.00 62.75 59.99 3daa n ILE 58 Cb 0.23 -0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 37.82 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 -0.87 -1.28 -3.83 6.28 5.12 -0.52 -5.01 116.66 116.55 3daa n ARG 59 Ca 0.27 0.84 -0.36 0.00 -1.93 0.00 0.00 57.85 56.67 3daa n ARG 59 Cb 0.95 -5.21 -0.10 0.00 -1.16 0.00 0.00 32.46 26.94 3daa n ARG 59 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3daa s ILE 60 N -2.78 4.86 -0.40 0.55 1.01 0.29 -4.95 121.20 119.77 3daa s ILE 60 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 3daa s ILE 60 Cb 0.00 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.30 3daa s ILE 60 CO 0.00 0.39 0.22 -0.89 0.00 0.00 0.00 174.94 174.66 3daa s THR 61 N 0.94 4.05 0.07 2.92 2.01 -1.26 -2.88 115.64 121.49 3daa s THR 61 Ca 0.05 -1.41 -0.31 0.00 0.31 0.00 0.00 61.69 60.34 3daa s THR 61 Cb -0.14 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 3daa s THR 61 CO 0.03 -0.46 1.67 -0.63 -0.69 0.00 0.00 174.62 174.55 3daa s ILE 62 N 1.39 3.00 0.47 1.82 1.01 -1.26 -4.90 121.20 122.74 3daa s ILE 62 Ca 0.03 0.45 0.16 0.00 0.00 0.00 0.00 60.65 61.28 3daa s ILE 62 Cb -0.22 -3.29 0.33 0.00 0.01 0.00 0.00 42.46 39.29 3daa s ILE 62 CO 0.02 -0.00 2.02 -0.65 0.00 0.00 0.00 174.94 176.33 3daa h PRO 63 N 8.40 0.24 -6.54 2.79 0.11 -1.97 -3.45 132.00 131.59 3daa h PRO 63 Ca -0.43 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.18 3daa h PRO 63 Cb 1.20 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3daa h PRO 63 CO 0.93 0.16 -0.16 0.71 -0.21 0.00 0.00 178.00 179.43 3daa s TYR 64 N -5.25 3.50 0.69 0.65 2.02 -1.26 -5.09 117.35 112.61 3daa s TYR 64 Ca -0.07 0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.96 3daa s TYR 64 Cb 0.19 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3daa s TYR 64 CO 0.73 0.10 1.08 0.95 -1.57 0.00 0.00 175.55 176.84 3daa s THR 65 N -2.29 3.57 0.46 -0.71 -4.23 -1.26 -4.88 115.64 106.30 3daa s THR 65 Ca 0.41 0.60 0.14 0.00 -1.18 0.00 0.00 61.69 61.66 3daa s THR 65 Cb -0.10 -3.17 0.21 0.00 1.34 0.00 0.00 72.50 70.79 3daa s THR 65 CO 0.35 -0.58 2.04 0.11 -0.54 0.00 0.00 174.62 176.01 3daa h LYS 66 N -0.46 0.07 -0.20 3.99 1.57 -1.98 -2.04 116.57 117.50 3daa h LYS 66 Ca -0.45 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 3daa h LYS 66 Cb 1.23 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3daa h LYS 66 CO 0.54 0.16 -0.47 0.22 -0.57 0.00 0.00 179.45 179.34 3daa h ASP 67 N 0.06 0.56 -0.33 0.86 3.58 -1.99 -1.28 116.42 117.89 3daa h ASP 67 Ca 0.01 -0.27 -0.11 0.00 0.42 0.00 0.00 57.03 57.08 3daa h ASP 67 Cb 0.20 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3daa h ASP 67 CO 0.01 0.95 -0.20 0.50 -2.88 0.00 0.00 179.24 177.62 3daa h LYS 68 N 0.42 0.81 -0.43 0.28 3.64 -1.76 -1.32 116.57 118.21 3daa h LYS 68 Ca 0.02 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 3daa h LYS 68 Cb 0.98 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3daa h LYS 68 CO 0.09 0.94 0.11 0.35 -2.27 0.00 0.00 179.45 178.66 3daa h PHE 69 N 0.71 0.72 -0.51 1.91 3.04 -1.15 -0.99 116.94 120.67 3daa h PHE 69 Ca 0.10 -0.09 0.03 0.00 3.98 0.00 0.00 57.97 62.00 3daa h PHE 69 Cb 0.71 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 3daa h PHE 69 CO 0.04 0.67 0.28 1.25 -2.02 0.00 0.00 178.31 178.53 3daa h HIS 70 N 0.56 0.52 -0.15 0.41 2.76 -1.06 -1.60 115.15 116.59 3daa h HIS 70 Ca 0.13 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3daa h HIS 70 Cb 0.31 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3daa h HIS 70 CO 0.02 0.28 -0.08 1.96 -1.30 0.00 0.00 177.93 178.80 3daa h GLN 71 N 0.55 0.23 -0.31 5.26 4.20 -0.89 -1.94 115.11 122.21 3daa h GLN 71 Ca 0.21 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 3daa h GLN 71 Cb 0.08 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3daa h GLN 71 CO -0.12 0.33 -0.36 -0.07 -0.67 0.00 0.00 178.83 177.94 3daa h LEU 72 N 0.22 0.86 -0.99 1.46 3.38 -0.44 -2.32 115.31 117.48 3daa h LEU 72 Ca 0.05 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3daa h LEU 72 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3daa h LEU 72 CO 0.01 1.17 -0.21 -0.07 0.09 0.00 0.00 178.44 179.43 3daa h LEU 73 N 0.57 0.47 -0.34 1.67 3.38 -1.05 -2.22 115.31 117.78 3daa h LEU 73 Ca 0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3daa h LEU 73 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3daa h LEU 73 CO 0.09 0.69 0.02 -0.74 0.09 0.00 0.00 178.44 178.60 3daa h HIS 74 N 0.43 0.63 -0.50 1.13 2.76 -1.24 -2.34 115.15 116.02 3daa h HIS 74 Ca 0.07 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 3daa h HIS 74 Cb 0.61 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 3daa h HIS 74 CO 0.02 0.68 0.06 1.49 -1.30 0.00 0.00 177.93 178.88 3daa h GLU 75 N 0.41 0.79 -0.51 5.26 4.81 -1.28 -2.71 114.58 121.36 3daa h GLU 75 Ca 0.10 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3daa h GLU 75 Cb 0.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3daa h GLU 75 CO 0.01 0.76 0.25 1.25 -0.73 0.00 0.00 179.01 180.55 3daa h LEU 76 N 0.75 0.65 -0.86 1.64 5.85 -1.21 -0.55 115.31 121.59 3daa h LEU 76 Ca 0.16 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3daa h LEU 76 Cb 0.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3daa h LEU 76 CO 0.01 0.59 0.18 0.58 -0.34 0.00 0.00 178.44 179.45 3daa h VAL 77 N 0.67 1.25 -0.08 1.05 2.07 -1.25 -2.47 116.25 117.50 3daa h VAL 77 Ca 0.18 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3daa h VAL 77 Cb 0.10 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3daa h VAL 77 CO -0.02 0.34 -0.21 -0.33 0.02 0.00 0.00 177.57 177.37 3daa h GLU 78 N 0.98 0.28 0.00 1.57 5.08 -1.25 -1.95 114.58 119.29 3daa h GLU 78 Ca 0.21 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3daa h GLU 78 Cb 0.32 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3daa h GLU 78 CO -0.00 0.81 -0.01 0.87 -1.00 0.00 0.00 179.01 179.68 3daa h LYS 79 N -0.20 0.00 -0.00 2.33 1.79 -1.08 -1.44 116.57 117.98 3daa h LYS 79 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3daa h LYS 79 Cb 0.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3daa h LYS 79 CO 0.05 0.01 -0.55 0.09 -1.08 0.00 0.00 179.45 177.97 3daa n ASN 80 N -4.44 0.83 -3.48 0.86 3.02 -0.93 -4.84 115.26 106.29 3daa n ASN 80 Ca -0.03 -0.64 -0.24 0.00 -0.03 0.00 0.00 54.58 53.64 3daa n ASN 80 Cb 0.10 0.40 0.07 0.00 -0.61 0.00 0.00 39.78 39.74 3daa n ASN 80 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3daa n GLU 81 N -1.20 -7.18 -2.29 3.52 4.07 -0.54 -4.94 120.64 112.08 3daa n GLU 81 Ca 0.07 0.84 -0.42 0.00 -0.06 0.00 0.00 57.16 57.59 3daa n GLU 81 Cb 0.35 -5.85 -0.03 0.00 -0.06 0.00 0.00 31.44 25.85 3daa n GLU 81 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3daa s LEU 82 N -7.17 4.33 0.00 4.31 2.96 -0.83 -4.97 118.68 117.31 3daa s LEU 82 Ca 0.53 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3daa s LEU 82 Cb -0.23 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.89 3daa s LEU 82 CO 0.65 -0.63 0.00 -3.20 -1.32 0.00 0.00 176.35 171.86 3daa n ASN 83 N 4.72 0.00 -4.13 3.68 5.15 -1.26 -3.49 115.26 119.93 3daa n ASN 83 Ca 0.11 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.76 3daa n ASN 83 Cb 0.44 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.53 3daa n ASN 83 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3daa s THR 84 N 0.00 2.13 0.00 -0.44 2.01 -1.26 0.32 115.64 118.40 3daa s THR 84 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3daa s THR 84 Cb 0.00 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.62 3daa s THR 84 CO 0.00 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3daa n GLY 85 N 4.62 -0.80 3.37 4.40 0.00 -0.45 -1.00 105.19 115.33 3daa n GLY 85 Ca -0.21 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.01 -0.37 -0.13 1.61 -3.43 -0.54 -0.68 115.29 109.73 3daa s HIS 86 Ca 0.00 0.19 -0.03 0.00 -0.80 0.00 0.00 55.06 54.42 3daa s HIS 86 Cb 0.00 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 3daa s HIS 86 CO 0.00 -0.73 -0.03 0.42 -2.00 0.00 0.00 174.74 172.40 3daa s ILE 87 N -3.41 4.00 -0.15 -5.38 1.01 0.37 -1.65 121.20 115.99 3daa s ILE 87 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3daa s ILE 87 Cb 0.00 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3daa s ILE 87 CO -0.09 0.52 -0.09 -0.47 0.00 0.00 0.00 174.94 174.81 3daa s TYR 88 N -0.01 2.90 -0.01 3.97 6.14 0.46 -1.31 117.35 129.49 3daa s TYR 88 Ca 0.01 -0.56 -0.01 0.00 0.64 0.00 0.00 57.07 57.15 3daa s TYR 88 Cb -0.13 -1.91 0.00 0.00 0.42 0.00 0.00 41.96 40.34 3daa s TYR 88 CO 0.02 -0.19 0.03 -0.59 0.64 0.00 0.00 175.55 175.46 3daa s PHE 89 N 0.47 0.00 0.12 4.97 -0.71 -0.91 -0.68 117.98 121.23 3daa s PHE 89 Ca -0.07 0.00 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 3daa s PHE 89 Cb -0.15 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3daa s PHE 89 CO 0.04 -0.04 0.13 1.14 -1.34 0.00 0.00 175.22 175.15 3daa s GLN 90 N -0.19 0.93 -0.02 1.99 -2.07 0.24 -0.64 119.66 119.90 3daa s GLN 90 Ca -0.02 -1.25 -0.00 0.00 -1.82 0.00 0.00 55.36 52.27 3daa s GLN 90 Cb -0.02 0.29 0.03 0.00 -1.09 0.00 0.00 33.01 32.23 3daa s GLN 90 CO -0.00 -0.29 0.03 0.54 -1.32 0.00 0.00 175.29 174.25 3daa s VAL 91 N -3.97 -0.06 0.40 3.63 0.11 -0.61 -1.51 120.40 118.39 3daa s VAL 91 Ca 0.16 0.22 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 3daa s VAL 91 Cb 0.06 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.78 3daa s VAL 91 CO -0.03 0.09 0.22 0.42 -3.33 0.00 0.00 175.10 172.47 3daa s THR 92 N 1.06 2.49 0.24 5.04 -4.23 -0.26 -1.42 115.64 118.55 3daa s THR 92 Ca -0.09 -1.62 0.36 0.00 -1.18 0.00 0.00 61.69 59.17 3daa s THR 92 Cb -0.13 -2.99 0.40 0.00 1.34 0.00 0.00 72.50 71.12 3daa s THR 92 CO -0.03 -0.03 2.08 -0.09 -0.54 0.00 0.00 174.62 176.02 3daa h ARG 93 N 1.35 0.00 0.00 3.99 2.43 -1.80 -2.34 114.38 118.02 3daa h ARG 93 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3daa h ARG 93 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3daa h ARG 93 CO 0.66 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3daa n GLY 94 N -0.31 -0.29 3.71 2.80 0.00 -1.26 -3.88 105.19 105.96 3daa n GLY 94 Ca -0.00 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.70 5.27 -0.07 2.61 2.01 -1.26 -0.96 115.64 122.53 3daa s THR 95 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 3daa s THR 95 Cb 0.00 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.92 3daa s THR 95 CO 0.00 0.34 0.77 -0.55 -0.69 0.00 0.00 174.62 174.48 3daa s SER 96 N 0.69 -0.57 0.03 3.53 0.15 -1.05 -4.90 113.70 111.58 3daa s SER 96 Ca 0.18 0.60 -0.37 0.00 0.70 0.00 0.00 55.95 57.06 3daa s SER 96 Cb -0.14 0.48 -0.16 0.00 -1.71 0.00 0.00 66.02 64.49 3daa s SER 96 CO 0.06 -0.55 1.48 -2.65 1.20 0.00 0.00 173.24 172.78 3daa n PRO 97 N 0.80 1.39 -1.68 5.44 -0.02 -1.26 -4.76 135.00 134.92 3daa n PRO 97 Ca -0.16 0.50 -0.59 0.00 -2.02 0.00 0.00 63.50 61.23 3daa n PRO 97 Cb 0.58 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.38 0.84 -3.64 -0.52 0.63 -1.26 -4.97 116.66 111.13 3daa n ARG 98 Ca 0.20 0.31 -0.07 0.00 -0.92 0.00 0.00 57.85 57.36 3daa n ARG 98 Cb 0.20 -1.93 -0.07 0.00 0.45 0.00 0.00 32.46 31.11 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 2.59 -2.05 0.15 5.13 0.00 -1.26 -5.08 121.76 121.25 3daa s ALA 99 Ca 0.96 1.86 -0.17 0.00 0.00 0.00 0.00 51.96 54.62 3daa s ALA 99 Cb -1.15 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 20.48 3daa s ALA 99 CO 0.65 -0.21 1.76 0.45 0.00 0.00 0.00 175.76 178.40 3daa h HIS 100 N 4.10 0.23 -4.30 0.00 3.86 -2.02 -3.44 115.15 113.57 3daa h HIS 100 Ca -0.28 0.02 -0.52 0.00 -1.16 0.00 0.00 60.37 58.43 3daa h HIS 100 Cb 1.18 -0.05 0.14 0.00 1.06 0.00 0.00 27.41 29.73 3daa h HIS 100 CO 0.29 0.10 0.31 1.14 0.86 0.00 0.00 177.93 180.63 3daa s GLN 101 N -6.16 2.15 0.60 2.45 0.00 -1.26 -4.98 119.66 112.46 3daa s GLN 101 Ca -0.13 1.23 -0.20 0.00 -0.00 0.00 0.00 55.36 56.26 3daa s GLN 101 Cb 0.11 -1.88 -0.03 0.00 0.00 0.00 0.00 33.01 31.21 3daa s GLN 101 CO 0.71 -1.73 1.27 1.19 0.00 0.00 0.00 175.29 176.72 3daa n PHE 102 N -3.53 1.89 -1.69 9.60 3.72 -1.26 -4.89 117.46 121.30 3daa n PHE 102 Ca 0.09 0.43 -0.44 0.00 -0.05 0.00 0.00 57.45 57.48 3daa n PHE 102 Cb 0.53 -2.28 -0.04 0.00 -0.94 0.00 0.00 39.48 36.75 3daa n PHE 102 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3daa n PRO 103 N -1.43 2.56 -0.14 -1.08 -0.02 -1.26 -4.89 135.00 128.73 3daa n PRO 103 Ca 0.14 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.45 3daa n PRO 103 Cb 0.47 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 3daa n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3daa h GLU 104 N 7.37 -0.27 -4.81 -0.52 4.57 -2.01 -3.33 114.58 115.58 3daa h GLU 104 Ca -0.45 0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.08 3daa h GLU 104 Cb 1.23 0.06 -0.20 0.00 -0.16 0.00 0.00 28.75 29.68 3daa h GLU 104 CO 0.93 -0.18 -0.54 -0.80 -1.18 0.00 0.00 179.01 177.24 3daa s ASN 105 N -5.08 5.72 -0.40 1.04 0.01 -1.26 -5.02 114.94 109.95 3daa s ASN 105 Ca -0.15 -0.35 -0.40 0.00 -0.71 0.00 0.00 52.86 51.25 3daa s ASN 105 Cb 0.13 -2.05 -0.15 0.00 0.41 0.00 0.00 41.25 39.59 3daa s ASN 105 CO 0.66 -0.15 2.07 0.41 -1.51 0.00 0.00 177.10 178.58 3daa n THR 106 N 5.02 0.13 -2.74 1.60 -1.04 -1.25 -4.97 114.28 111.04 3daa n THR 106 Ca -0.14 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.50 3daa n THR 106 Cb 0.50 -1.12 0.01 0.00 -1.82 0.00 0.00 70.33 67.91 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 6.05 4.17 0.09 12.58 -7.23 -1.26 -5.05 120.40 129.75 3daa s VAL 107 Ca 1.11 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.81 3daa s VAL 107 Cb -1.15 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 32.15 3daa s VAL 107 CO 0.59 -0.51 1.03 -0.54 -0.31 0.00 0.00 175.10 175.36 3daa s LYS 108 N -4.72 4.61 0.58 4.82 -0.14 -1.26 -4.89 119.74 118.73 3daa s LYS 108 Ca 0.49 1.54 -0.20 0.00 -1.36 0.00 0.00 55.97 56.45 3daa s LYS 108 Cb -0.10 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 3daa s LYS 108 CO 0.42 0.06 1.25 -2.14 -0.76 0.00 0.00 175.35 174.18 3daa s PRO 109 N 0.29 3.03 -0.25 -1.68 0.02 -1.25 -4.21 135.00 130.95 3daa s PRO 109 Ca 0.50 1.95 -0.08 0.00 0.02 0.00 0.00 61.00 63.40 3daa s PRO 109 Cb -0.25 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 3daa s PRO 109 CO 0.30 -1.20 0.09 0.08 -0.33 0.00 0.00 177.00 175.95 3daa s VAL 110 N -1.49 4.50 -0.15 3.83 1.01 -0.88 -4.86 120.40 122.36 3daa s VAL 110 Ca 0.76 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 3daa s VAL 110 Cb -0.34 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3daa s VAL 110 CO 0.38 0.33 0.03 -0.63 0.00 0.00 0.00 175.10 175.21 3daa s ILE 111 N 1.56 4.52 -0.02 2.22 1.01 -1.26 -1.10 121.20 128.11 3daa s ILE 111 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3daa s ILE 111 Cb -0.15 -2.98 0.02 0.00 0.01 0.00 0.00 42.46 39.35 3daa s ILE 111 CO 0.05 0.52 -0.01 -0.63 0.00 0.00 0.00 174.94 174.86 3daa s ILE 112 N -0.05 0.24 -0.08 2.92 -1.09 -0.57 -0.85 121.20 121.72 3daa s ILE 112 Ca 0.05 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.34 3daa s ILE 112 Cb -0.12 -0.30 0.03 0.00 -1.58 0.00 0.00 42.46 40.49 3daa s ILE 112 CO 0.02 0.14 0.31 -0.83 -1.23 0.00 0.00 174.94 173.35 3daa s GLY 113 N 0.72 -0.21 0.22 6.18 0.00 -0.35 -0.59 107.32 113.28 3daa s GLY 113 Ca -0.08 0.70 -0.17 0.00 0.00 0.00 0.00 44.72 45.18 3daa s GLY 113 CO -0.01 0.55 0.54 -2.52 0.00 0.00 0.00 173.10 171.65 3daa s TYR 114 N -0.35 -0.03 0.40 1.90 1.13 0.14 0.74 117.35 121.29 3daa s TYR 114 Ca -0.05 -0.34 0.08 0.00 -1.41 0.00 0.00 57.07 55.35 3daa s TYR 114 Cb -0.03 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 3daa s TYR 114 CO 0.02 -0.97 0.31 0.95 -2.51 0.00 0.00 175.55 173.34 3daa s THR 115 N -3.91 2.69 -0.30 -3.49 -4.23 -1.26 -0.40 115.64 104.74 3daa s THR 115 Ca 0.12 -1.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3daa s THR 115 Cb -0.02 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.96 3daa s THR 115 CO 0.01 -0.03 0.67 -0.75 -0.54 0.00 0.00 174.62 173.98 3daa s LYS 116 N -4.05 0.55 -0.05 3.99 2.47 -0.66 -4.95 119.74 117.04 3daa s LYS 116 Ca 0.45 1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 55.82 3daa s LYS 116 Cb -0.02 0.75 -0.04 0.00 -1.46 0.00 0.00 37.83 37.06 3daa s LYS 116 CO 0.26 -0.30 1.40 -2.00 0.16 0.00 0.00 175.35 174.87 3daa s GLU 117 N 2.86 4.26 -0.25 4.03 2.56 -1.26 -1.46 118.70 129.43 3daa s GLU 117 Ca 0.01 1.92 -0.09 0.00 0.00 0.00 0.00 54.97 56.81 3daa s GLU 117 Cb -0.12 -3.69 0.11 0.00 2.00 0.00 0.00 34.13 32.42 3daa s GLU 117 CO -0.19 -0.65 0.55 1.21 -0.56 0.00 0.00 175.26 175.62 3daa s ASN 118 N 2.15 -0.74 0.93 -1.70 3.84 -0.17 -4.92 114.94 114.32 3daa s ASN 118 Ca 0.63 1.30 -0.12 0.00 0.21 0.00 0.00 52.86 54.88 3daa s ASN 118 Cb -0.29 1.75 0.15 0.00 -0.55 0.00 0.00 41.25 42.30 3daa s ASN 118 CO 0.24 -0.22 1.09 -2.16 -2.79 0.00 0.00 177.10 173.26 3daa s PRO 119 N 2.57 1.00 0.36 0.43 0.04 -1.26 -3.17 135.00 134.98 3daa s PRO 119 Ca -0.05 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 3daa s PRO 119 Cb -0.11 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 3daa s PRO 119 CO -0.16 -2.41 1.18 1.03 0.04 0.00 0.00 177.00 176.68 3daa s ARG 120 N -4.91 4.26 -1.02 4.56 0.52 -1.26 -4.90 118.95 116.20 3daa s ARG 120 Ca 0.64 1.91 -0.20 0.00 -0.52 0.00 0.00 55.73 57.57 3daa s ARG 120 Cb -0.18 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 3daa s ARG 120 CO 0.57 -0.16 2.01 -0.35 0.02 0.00 0.00 175.30 177.39 3daa n PRO 121 N 0.50 1.98 -0.10 3.54 -0.04 -1.26 -4.79 135.00 134.83 3daa n PRO 121 Ca 0.02 -2.17 -0.09 0.00 -0.04 0.00 0.00 63.50 61.23 3daa n PRO 121 Cb 0.45 -3.10 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 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 12.87 -1.14 -0.23 1.53 3.38 -2.00 -1.81 115.31 127.91 3daa h LEU 122 Ca 0.45 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.65 3daa h LEU 122 Cb 0.69 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3daa h LEU 122 CO 1.88 -0.34 0.03 -0.08 0.09 0.00 0.00 178.44 180.01 3daa h GLU 123 N -0.30 0.10 -0.84 1.13 4.81 -2.00 -2.75 114.58 114.72 3daa h GLU 123 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3daa h GLU 123 Cb 0.55 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3daa h GLU 123 CO -0.51 0.07 0.41 -0.91 -0.73 0.00 0.00 179.01 177.34 3daa h ASN 124 N 0.11 1.10 -0.18 1.04 2.35 -1.80 0.60 115.58 118.80 3daa h ASN 124 Ca 0.11 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3daa h ASN 124 Cb 0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3daa h ASN 124 CO -0.16 0.92 0.03 -0.07 -1.65 0.00 0.00 177.43 176.50 3daa h LEU 125 N 1.20 0.37 0.05 1.61 3.38 -1.13 -1.12 115.31 119.67 3daa h LEU 125 Ca 0.29 -0.05 -0.37 0.00 0.09 0.00 0.00 57.88 57.84 3daa h LEU 125 Cb 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3daa h LEU 125 CO -0.04 0.41 -2.17 1.21 0.09 0.00 0.00 178.44 177.94 3daa n GLU 126 N -4.35 0.68 0.04 1.13 2.13 -1.03 -4.60 120.64 114.64 3daa n GLU 126 Ca 0.01 0.25 -0.02 0.00 0.66 0.00 0.00 57.16 58.06 3daa n GLU 126 Cb 0.19 -1.61 -0.08 0.00 0.27 0.00 0.00 31.44 30.21 3daa n GLU 126 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3daa h LYS 127 N -0.21 0.00 0.00 5.31 1.57 -0.97 -3.45 116.57 118.81 3daa h LYS 127 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3daa h LYS 127 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 3daa h LYS 127 CO -0.08 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 3daa n GLY 128 N 1.40 -0.49 3.29 3.86 0.00 -0.42 -4.73 105.19 108.10 3daa n GLY 128 Ca -0.09 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.77 0.31 0.02 1.61 -7.23 0.10 -4.76 120.40 108.69 3daa s VAL 129 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 3daa s VAL 129 Cb 0.00 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3daa s VAL 129 CO 0.00 0.00 0.31 -0.54 -0.31 0.00 0.00 175.10 174.56 3daa s LYS 130 N -3.96 3.65 0.29 4.82 1.02 -1.26 -2.08 119.74 122.22 3daa s LYS 130 Ca 0.37 0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.43 3daa s LYS 130 Cb 0.06 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3daa s LYS 130 CO 0.15 0.63 0.03 0.00 -0.92 0.00 0.00 175.35 175.25 3daa s ALA 131 N -1.30 2.12 -0.02 5.17 0.00 0.12 -1.25 121.76 126.60 3daa s ALA 131 Ca 0.28 -1.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 3daa s ALA 131 Cb -0.14 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3daa s ALA 131 CO 0.16 -0.29 0.04 -0.08 0.00 0.00 0.00 175.76 175.59 3daa s THR 132 N -3.36 0.00 0.10 0.00 -1.32 -0.94 -1.49 115.64 108.62 3daa s THR 132 Ca 0.34 -0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.51 3daa s THR 132 Cb 0.07 -0.07 -0.06 0.00 -1.51 0.00 0.00 72.50 70.93 3daa s THR 132 CO 0.13 -0.00 1.02 -0.36 -2.21 0.00 0.00 174.62 173.20 3daa s PHE 133 N 0.01 3.69 -0.02 9.09 0.08 -1.26 -0.65 117.98 128.92 3daa s PHE 133 Ca -0.00 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.73 3daa s PHE 133 Cb -0.00 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.31 3daa s PHE 133 CO 0.00 -0.18 0.02 0.08 -0.10 0.00 0.00 175.22 175.04 3daa s VAL 134 N 0.26 -0.02 0.24 -0.44 1.01 -0.66 -4.90 120.40 115.88 3daa s VAL 134 Ca 0.50 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 3daa s VAL 134 Cb -0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 36.38 35.93 3daa s VAL 134 CO 0.31 0.08 1.62 -0.70 0.00 0.00 0.00 175.10 176.40 3daa s GLU 135 N 0.83 4.15 -0.46 2.72 2.56 -1.26 -1.82 118.70 125.43 3daa s GLU 135 Ca -0.07 2.52 -0.29 0.00 0.00 0.00 0.00 54.97 57.13 3daa s GLU 135 Cb -0.10 -3.07 0.03 0.00 2.00 0.00 0.00 34.13 32.98 3daa s GLU 135 CO -0.02 -0.65 1.19 0.34 -0.56 0.00 0.00 175.26 175.56 3daa s ASP 136 N 0.83 6.58 -0.08 -1.70 -1.08 -0.06 -4.74 116.67 116.42 3daa s ASP 136 Ca 0.68 0.56 0.13 0.00 -0.52 0.00 0.00 52.55 53.40 3daa s ASP 136 Cb -0.47 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 38.81 3daa s ASP 136 CO 0.39 -1.28 1.30 2.30 0.52 0.00 0.00 175.17 178.40 3daa n ILE 137 N 6.86 1.57 -1.62 4.11 -5.35 -1.26 -4.76 119.36 118.91 3daa n ILE 137 Ca 0.13 -1.43 -0.29 0.00 -0.27 0.00 0.00 62.75 60.89 3daa n ILE 137 Cb 0.49 0.15 0.11 0.00 -1.74 0.00 0.00 39.64 38.65 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 -1.85 1.67 1.25 6.28 0.52 -1.26 -5.02 118.95 120.54 3daa s ARG 138 Ca 0.29 0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 3daa s ARG 138 Cb 0.21 -1.89 0.30 0.00 0.52 0.00 0.00 34.95 34.09 3daa s ARG 138 CO 0.11 -1.85 1.03 1.67 0.02 0.00 0.00 175.30 176.28 3daa s TRP 139 N -3.29 0.46 -1.46 -0.53 1.48 -1.26 -4.95 118.94 109.38 3daa s TRP 139 Ca 0.62 0.70 0.12 0.00 -1.06 0.00 0.00 56.10 56.47 3daa s TRP 139 Cb -0.14 -3.18 0.42 0.00 -1.16 0.00 0.00 33.47 29.42 3daa s TRP 139 CO 0.53 -4.15 1.29 1.28 -4.06 0.00 0.00 176.95 171.83 3daa n LEU 140 N -5.03 2.89 -2.59 -4.66 4.77 -1.26 -4.24 117.00 106.88 3daa n LEU 140 Ca 0.10 -1.46 -0.23 0.00 -0.03 0.00 0.00 56.01 54.39 3daa n LEU 140 Cb 0.58 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3daa n LEU 140 CO 0.48 0.54 0.11 0.54 -1.33 0.00 0.00 177.39 177.74 3daa n ARG 141 N 0.63 2.91 0.00 3.23 1.74 -1.26 -4.68 116.66 119.23 3daa n ARG 141 Ca 0.15 -4.28 0.06 0.00 -0.77 0.00 0.00 57.85 53.01 3daa n ARG 141 Cb 0.54 -2.05 0.31 0.00 -1.02 0.00 0.00 32.46 30.24 3daa n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3daa h ASP 143 N 0.00 0.00 -3.48 0.00 2.03 -1.55 -3.15 116.42 110.27 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 0.16 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.54 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 -3.22 5.23 -1.37 4.15 1.01 -0.83 -4.75 121.20 121.42 3daa s ILE 144 Ca 0.08 0.62 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 3daa s ILE 144 Cb 0.10 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.97 3daa s ILE 144 CO 0.56 0.27 2.03 1.17 0.00 0.00 0.00 174.94 178.97 3daa n LYS 145 N 4.38 3.17 -2.54 2.79 4.81 -1.26 -4.96 118.16 124.56 3daa n LYS 145 Ca -0.09 -3.04 -0.22 0.00 -0.87 0.00 0.00 58.31 54.08 3daa n LYS 145 Cb 0.51 -3.17 0.04 0.00 0.02 0.00 0.00 35.03 32.44 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 2.46 5.19 0.00 3.14 1.04 -1.26 -1.71 113.70 122.55 3daa s SER 146 Ca 0.45 0.14 0.31 0.00 0.48 0.00 0.00 55.95 57.32 3daa s SER 146 Cb 0.11 -0.98 1.79 0.00 0.10 0.00 0.00 66.02 67.04 3daa s SER 146 CO -0.04 -1.24 2.16 0.18 0.98 0.00 0.00 173.24 175.28 3daa n LEU 147 N -2.48 0.00 -4.55 2.42 4.77 -0.74 -4.51 117.00 111.91 3daa n LEU 147 Ca 0.08 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3daa n LEU 147 Cb 0.60 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3daa n LEU 147 CO 0.47 -0.00 1.51 0.20 -1.33 0.00 0.00 177.39 178.24 3daa s ASN 148 N -2.14 6.59 -0.12 -1.43 0.02 -1.26 -4.74 114.94 111.86 3daa s ASN 148 Ca 0.43 -1.74 0.16 0.00 -1.02 0.00 0.00 52.86 50.69 3daa s ASN 148 Cb 0.21 -2.55 0.27 0.00 0.02 0.00 0.00 41.25 39.21 3daa s ASN 148 CO 0.39 -1.38 1.14 0.18 0.02 0.00 0.00 177.10 177.45 3daa n LEU 149 N 8.45 2.08 0.24 0.60 4.77 -1.26 -4.79 117.00 127.08 3daa n LEU 149 Ca 0.35 -2.91 0.06 0.00 -0.03 0.00 0.00 56.01 53.48 3daa n LEU 149 Cb 0.50 -0.38 0.56 0.00 -2.33 0.00 0.00 43.42 41.76 3daa n LEU 149 CO 0.66 0.74 0.96 0.25 -1.33 0.00 0.00 177.39 178.67 3daa h LEU 150 N 0.14 0.00 -0.26 2.23 5.85 -1.99 -1.53 115.31 119.76 3daa h LEU 150 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3daa h LEU 150 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3daa h LEU 150 CO 0.00 0.12 -0.08 1.23 -0.34 0.00 0.00 178.44 179.37 3daa h GLY 151 N 0.37 0.55 1.82 3.75 0.00 -1.95 -2.48 103.07 105.12 3daa h GLY 151 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 3daa h GLY 151 CO 0.02 0.42 -0.26 0.00 0.00 0.00 0.00 176.54 176.72 3daa h ALA 152 N 0.76 1.34 0.01 3.60 0.00 -1.74 -1.49 119.26 121.73 3daa h ALA 152 Ca 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3daa h ALA 152 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3daa h ALA 152 CO 0.03 0.45 -0.00 0.28 0.00 0.00 0.00 179.25 180.01 3daa h VAL 153 N 0.20 1.13 -0.56 0.00 2.07 -1.14 -0.47 116.25 117.48 3daa h VAL 153 Ca 0.03 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3daa h VAL 153 Cb 0.57 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3daa h VAL 153 CO 0.04 0.11 0.13 -0.07 0.02 0.00 0.00 177.57 177.80 3daa h LEU 154 N -0.20 0.81 -0.26 2.57 3.38 -1.26 -1.53 115.31 118.82 3daa h LEU 154 Ca -0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3daa h LEU 154 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3daa h LEU 154 CO 0.00 0.80 -0.13 0.00 0.09 0.00 0.00 178.44 179.20 3daa h ALA 155 N 1.31 0.37 -0.64 1.53 0.00 -1.16 -2.16 119.26 118.50 3daa h ALA 155 Ca 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3daa h ALA 155 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3daa h ALA 155 CO 0.00 0.24 0.09 -0.22 0.00 0.00 0.00 179.25 179.36 3daa h LYS 156 N 0.28 1.08 -0.62 0.00 1.63 -0.96 -2.41 116.57 115.57 3daa h LYS 156 Ca 0.06 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3daa h LYS 156 Cb 0.65 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 3daa h LYS 156 CO 0.04 1.01 0.39 0.37 -3.45 0.00 0.00 179.45 177.81 3daa h GLN 157 N 0.99 0.82 -0.56 1.90 5.75 -1.25 -1.20 115.11 121.57 3daa h GLN 157 Ca 0.19 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3daa h GLN 157 Cb 0.46 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3daa h GLN 157 CO 0.02 0.57 0.28 1.49 -2.65 0.00 0.00 178.83 178.53 3daa h GLU 158 N 0.84 0.78 0.10 1.69 4.81 -1.16 -1.67 114.58 119.96 3daa h GLU 158 Ca 0.22 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3daa h GLU 158 Cb -0.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.17 3daa h GLU 158 CO -0.05 0.59 -0.05 0.00 -0.73 0.00 0.00 179.01 178.78 3daa h ALA 159 N 1.53 -0.13 -0.87 2.92 0.00 -0.88 -3.00 119.26 118.84 3daa h ALA 159 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3daa h ALA 159 Cb 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3daa h ALA 159 CO -0.03 -0.44 0.57 0.45 0.00 0.00 0.00 179.25 179.80 3daa h HIS 160 N -0.41 1.04 0.00 0.00 3.86 -0.96 0.30 115.15 118.99 3daa h HIS 160 Ca -0.01 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3daa h HIS 160 Cb 0.34 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 3daa h HIS 160 CO 0.02 0.61 -0.14 0.93 0.86 0.00 0.00 177.93 180.20 3daa h GLU 161 N 1.08 0.00 -0.29 2.45 5.08 -1.30 -1.08 114.58 120.52 3daa h GLU 161 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3daa h GLU 161 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3daa h GLU 161 CO -0.10 0.14 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 3daa n LYS 162 N -3.64 2.04 -1.98 2.33 5.02 -0.43 -4.92 118.16 116.57 3daa n LYS 162 Ca -0.02 -1.57 -0.08 0.00 -2.02 0.00 0.00 58.31 54.62 3daa n LYS 162 Cb 0.27 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 1.27 0.21 3.65 0.72 0.00 -0.41 -5.03 105.19 105.60 3daa n GLY 163 Ca 0.17 -0.56 -0.32 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 4.11 0.40 -3.20 0.00 3.20 -1.45 -3.21 116.97 116.81 3daa h TYR 165 Ca -0.48 -0.21 -0.13 0.00 3.14 0.00 0.00 58.73 61.05 3daa h TYR 165 Cb 1.17 -0.05 -0.21 0.00 1.54 0.00 0.00 36.73 39.18 3daa h TYR 165 CO 0.60 1.00 -0.36 -2.00 -1.64 0.00 0.00 178.16 175.75 3daa s GLU 166 N -3.32 0.57 -0.28 1.82 2.56 -1.24 -4.93 118.70 113.88 3daa s GLU 166 Ca -0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 54.97 54.61 3daa s GLU 166 Cb 0.10 0.25 -0.05 0.00 2.00 0.00 0.00 34.13 36.43 3daa s GLU 166 CO 0.84 -0.14 0.23 0.00 -0.56 0.00 0.00 175.26 175.63 3daa s ALA 167 N -1.19 3.54 -0.45 6.30 0.00 -1.26 -2.21 121.76 126.48 3daa s ALA 167 Ca -0.13 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 3daa s ALA 167 Cb -0.06 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.55 3daa s ALA 167 CO 0.03 -0.58 0.61 0.42 0.00 0.00 0.00 175.76 176.24 3daa s ILE 168 N 1.83 4.87 0.43 0.00 1.01 0.18 -1.77 121.20 127.75 3daa s ILE 168 Ca 0.09 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 3daa s ILE 168 Cb -0.16 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 3daa s ILE 168 CO 0.11 -0.61 1.01 -0.76 0.00 0.00 0.00 174.94 174.68 3daa s LEU 169 N 2.70 3.99 -0.11 2.97 1.43 -0.51 -1.66 118.68 127.49 3daa s LEU 169 Ca 0.20 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 55.09 3daa s LEU 169 Cb -0.15 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.69 3daa s LEU 169 CO 0.17 -0.52 0.28 -1.38 0.23 0.00 0.00 176.35 175.13 3daa s HIS 170 N -1.93 -0.35 -0.15 0.29 -3.43 -0.75 -1.45 115.29 107.52 3daa s HIS 170 Ca 0.62 0.82 0.02 0.00 -0.80 0.00 0.00 55.06 55.72 3daa s HIS 170 Cb -0.16 0.10 0.01 0.00 -1.43 0.00 0.00 32.58 31.10 3daa s HIS 170 CO 0.20 -0.20 -0.21 0.50 -2.00 0.00 0.00 174.74 173.03 3daa s ARG 171 N 0.70 3.05 -1.33 -0.38 3.52 -0.03 -0.89 118.95 123.60 3daa s ARG 171 Ca -0.05 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 3daa s ARG 171 Cb -0.06 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 3daa s ARG 171 CO -0.04 -0.04 0.73 0.09 -0.81 0.00 0.00 175.30 175.22 3daa n ASN 172 N 4.16 -5.76 0.00 -2.12 3.02 -1.26 -1.46 115.26 111.84 3daa n ASN 172 Ca -0.20 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3daa n ASN 172 Cb 0.51 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 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 -2.23 -3.54 -4.52 6.41 5.15 -1.26 -4.97 115.26 110.30 3daa n ASN 173 Ca -0.06 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.54 3daa n ASN 173 Cb 0.59 -2.06 -0.11 0.00 -0.53 0.00 0.00 39.78 37.67 3daa n ASN 173 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3daa s THR 174 N -1.63 4.94 0.14 -0.44 2.01 -0.53 -1.63 115.64 118.51 3daa s THR 174 Ca 0.00 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 3daa s THR 174 Cb 0.00 -3.40 -0.11 0.00 0.01 0.00 0.00 72.50 69.00 3daa s THR 174 CO 0.00 0.20 1.76 -0.69 -0.69 0.00 0.00 174.62 175.21 3daa s VAL 175 N 1.69 2.45 0.00 3.82 1.01 -0.20 -0.85 120.40 128.32 3daa s VAL 175 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3daa s VAL 175 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3daa s VAL 175 CO 0.08 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.54 3daa n THR 176 N 4.48 0.00 -3.98 3.92 -2.24 -0.53 -4.53 114.28 111.40 3daa n THR 176 Ca 0.17 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.87 3daa n THR 176 Cb 0.38 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.10 2.09 0.60 -0.78 -1.05 -1.26 -4.51 118.70 113.69 3daa s GLU 177 Ca 0.00 -1.68 -0.03 0.00 -0.15 0.00 0.00 54.97 53.10 3daa s GLU 177 Cb 0.00 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 3daa s GLU 177 CO 0.00 -0.92 0.87 0.20 0.95 0.00 0.00 175.26 176.37 3daa s GLY 178 N -3.19 1.69 0.59 -3.83 0.00 0.14 -1.43 107.32 101.29 3daa s GLY 178 Ca 0.25 -1.00 0.29 0.00 0.00 0.00 0.00 44.72 44.27 3daa s GLY 178 CO 0.18 -0.69 2.11 1.48 0.00 0.00 0.00 173.10 176.18 3daa h SER 179 N -0.18 0.00 -0.14 1.64 4.64 -1.71 -3.11 113.55 114.69 3daa h SER 179 Ca -0.44 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.69 3daa h SER 179 Cb 1.29 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.11 3daa h SER 179 CO 0.58 0.00 -0.67 -1.54 -0.87 0.00 0.00 176.83 174.33 3daa n SER 180 N -3.74 -0.01 -3.67 4.97 3.41 -1.26 -4.82 113.62 108.50 3daa n SER 180 Ca 0.01 -2.08 -0.05 0.00 -0.26 0.00 0.00 58.87 56.49 3daa n SER 180 Cb 0.31 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.12 -0.16 0.11 4.04 1.04 -1.18 -4.77 113.70 110.66 3daa s SER 181 Ca 0.17 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3daa s SER 181 Cb 0.32 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 3daa s SER 181 CO -0.09 -1.10 0.14 0.20 0.98 0.00 0.00 173.24 173.38 3daa s ASN 182 N -3.00 5.74 -0.13 7.02 -0.87 -0.17 0.27 114.94 123.81 3daa s ASN 182 Ca 0.13 0.02 -0.01 0.00 -1.57 0.00 0.00 52.86 51.43 3daa s ASN 182 Cb -0.03 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.25 39.59 3daa s ASN 182 CO 0.05 0.13 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.91 3daa s VAL 183 N -1.56 3.33 0.10 1.60 1.01 -1.26 -0.57 120.40 123.05 3daa s VAL 183 Ca 0.31 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.82 3daa s VAL 183 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3daa s VAL 183 CO 0.24 0.52 -0.25 -0.36 0.00 0.00 0.00 175.10 175.25 3daa s PHE 184 N 0.24 2.19 0.02 5.22 0.40 -0.01 -4.39 117.98 121.66 3daa s PHE 184 Ca -0.07 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3daa s PHE 184 Cb -0.15 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 3daa s PHE 184 CO 0.04 0.26 -0.08 0.20 0.70 0.00 0.00 175.22 176.35 3daa s GLY 185 N -1.81 0.45 -0.05 4.36 0.00 -0.17 -1.88 107.32 108.22 3daa s GLY 185 Ca 0.12 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.32 3daa s GLY 185 CO 0.05 -0.57 -0.17 -0.42 0.00 0.00 0.00 173.10 171.98 3daa s ILE 186 N -0.82 1.46 -0.21 0.90 1.01 -0.01 0.16 121.20 123.68 3daa s ILE 186 Ca -0.04 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3daa s ILE 186 Cb -0.07 -1.25 0.08 0.00 0.01 0.00 0.00 42.46 41.23 3daa s ILE 186 CO 0.00 0.42 0.50 -0.75 0.00 0.00 0.00 174.94 175.12 3daa s LYS 187 N 0.05 0.48 -1.47 2.79 2.20 -0.86 0.41 119.74 123.34 3daa s LYS 187 Ca -0.04 1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 56.50 3daa s LYS 187 Cb -0.12 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.38 3daa s LYS 187 CO 0.02 -0.18 0.67 -0.25 -0.36 0.00 0.00 175.35 175.26 3daa n ASP 188 N 4.56 -5.51 -0.18 1.43 8.00 -1.26 -1.46 116.55 122.13 3daa n ASP 188 Ca -0.19 -0.37 -0.02 0.00 0.71 0.00 0.00 54.79 54.91 3daa n ASP 188 Cb 0.55 -4.45 -0.01 0.00 -0.02 0.00 0.00 41.12 37.19 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 -1.51 0.55 3.62 0.44 0.00 -1.26 -5.02 105.19 102.00 3daa n GLY 189 Ca -0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.92 3.82 -0.22 -0.61 -1.09 -0.53 -4.33 121.20 116.32 3daa s ILE 190 Ca 0.00 -0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.71 3daa s ILE 190 Cb 0.00 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 3daa s ILE 190 CO 0.00 0.44 0.06 -0.22 -1.23 0.00 0.00 174.94 173.99 3daa s LEU 191 N -1.30 3.55 0.08 2.97 2.96 -0.51 -2.02 118.68 124.42 3daa s LEU 191 Ca 0.16 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3daa s LEU 191 Cb -0.11 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3daa s LEU 191 CO 0.07 0.06 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.65 3daa s TYR 192 N 1.06 2.50 -0.24 5.38 2.02 0.12 -0.69 117.35 127.50 3daa s TYR 192 Ca 0.04 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 3daa s TYR 192 Cb -0.14 -1.39 0.10 0.00 -0.40 0.00 0.00 41.96 40.13 3daa s TYR 192 CO 0.03 0.30 0.90 -0.08 -1.57 0.00 0.00 175.55 175.13 3daa s THR 193 N -1.01 0.00 0.22 -0.71 -1.32 -1.11 -1.00 115.64 110.71 3daa s THR 193 Ca 0.15 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.32 3daa s THR 193 Cb -0.10 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.75 3daa s THR 193 CO 0.07 0.00 1.41 1.57 -2.21 0.00 0.00 174.62 175.45 3daa n HIS 194 N 2.07 2.09 -1.66 9.09 -0.00 -1.26 -2.41 115.22 123.14 3daa n HIS 194 Ca -0.13 0.44 -0.35 0.00 0.46 0.00 0.00 57.72 58.14 3daa n HIS 194 Cb 0.56 -2.45 0.07 0.00 -0.12 0.00 0.00 29.99 28.05 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 -0.22 2.47 -1.23 1.57 0.04 -1.24 -4.88 135.00 131.52 3daa s PRO 195 Ca 0.70 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 63.32 3daa s PRO 195 Cb -0.68 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3daa s PRO 195 CO 0.48 -1.58 1.81 0.00 0.04 0.00 0.00 177.00 177.75 3daa s ALA 196 N -1.83 2.63 0.00 8.56 0.00 -1.26 -4.77 121.76 125.09 3daa s ALA 196 Ca 0.76 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3daa s ALA 196 Cb -0.30 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.17 3daa s ALA 196 CO 0.41 -4.15 0.00 0.27 0.00 0.00 0.00 175.76 172.29 3daa n ASN 197 N 11.02 1.35 0.00 0.00 0.23 -1.26 -5.01 115.26 121.59 3daa n ASN 197 Ca 0.46 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.60 3daa n ASN 197 Cb 0.46 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.16 0.53 6.94 -1.26 -3.27 115.26 118.36 3daa n ASN 198 Ca 0.00 0.44 0.12 0.00 -0.02 0.00 0.00 54.58 55.12 3daa n ASN 198 Cb 0.00 -0.47 0.22 0.00 -2.36 0.00 0.00 39.78 37.17 3daa n ASN 198 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3daa h MET 199 N 0.00 0.00 -4.77 -3.83 2.86 -1.90 -0.82 114.93 106.47 3daa h MET 199 Ca 0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 3daa h MET 199 Cb 0.29 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.81 3daa h MET 199 CO 0.00 0.00 -0.57 0.96 1.06 0.00 0.00 176.91 178.36 3daa s ILE 200 N -3.19 0.12 -0.19 -1.22 -4.36 -1.20 -4.76 121.20 106.39 3daa s ILE 200 Ca 0.07 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 3daa s ILE 200 Cb 0.08 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 3daa s ILE 200 CO 0.67 0.00 0.20 -0.22 0.24 0.00 0.00 174.94 175.83 3daa s LEU 201 N -3.28 4.21 -1.07 0.37 2.96 -1.19 -2.55 118.68 118.12 3daa s LEU 201 Ca 0.38 0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 54.40 3daa s LEU 201 Cb 0.05 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.57 3daa s LEU 201 CO 0.18 0.13 1.59 -0.75 -1.32 0.00 0.00 176.35 176.18 3daa s LYS 202 N 0.51 3.49 0.62 1.98 2.20 -1.26 -4.94 119.74 122.34 3daa s LYS 202 Ca 0.11 -1.20 -0.18 0.00 -0.36 0.00 0.00 55.97 54.34 3daa s LYS 202 Cb -0.12 -5.35 -0.03 0.00 -1.51 0.00 0.00 37.83 30.82 3daa s LYS 202 CO 0.01 -2.45 1.16 0.41 -0.36 0.00 0.00 175.35 174.12 3daa n GLY 203 N 6.53 0.21 0.16 5.54 0.00 -1.26 -4.93 105.19 111.44 3daa n GLY 203 Ca 0.38 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.58 1.38 -0.30 -0.61 1.08 -1.97 -2.35 117.51 115.32 3daa h ILE 204 Ca -0.50 -2.46 -0.14 0.00 -0.39 0.00 0.00 64.86 61.37 3daa h ILE 204 Cb 1.35 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 3daa h ILE 204 CO 0.52 0.74 -0.40 0.74 -0.69 0.00 0.00 178.15 179.06 3daa h THR 205 N 0.25 1.29 -0.22 -0.27 2.02 -1.92 -2.24 112.91 111.81 3daa h THR 205 Ca -0.10 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.55 3daa h THR 205 Cb 1.64 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 3daa h THR 205 CO 0.18 0.51 0.01 -0.09 0.37 0.00 0.00 175.52 176.50 3daa h ARG 206 N 0.59 0.09 -0.72 6.66 2.43 -1.88 0.35 114.38 121.91 3daa h ARG 206 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3daa h ARG 206 Cb 0.94 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3daa h ARG 206 CO 0.09 0.06 0.19 -0.44 -1.51 0.00 0.00 179.97 178.35 3daa h ASP 207 N 0.09 1.07 -0.59 -3.80 3.32 -1.27 -1.24 116.42 113.99 3daa h ASP 207 Ca 0.10 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3daa h ASP 207 Cb 0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3daa h ASP 207 CO -0.16 1.01 0.01 0.58 -1.72 0.00 0.00 179.24 178.95 3daa h VAL 208 N 1.08 1.26 -0.58 -1.35 2.07 -1.01 -1.04 116.25 116.68 3daa h VAL 208 Ca 0.23 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3daa h VAL 208 Cb 0.35 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3daa h VAL 208 CO -0.00 0.41 -0.06 0.58 0.02 0.00 0.00 177.57 178.53 3daa h VAL 209 N 0.96 1.27 -0.39 2.57 2.07 -0.70 0.72 116.25 122.75 3daa h VAL 209 Ca 0.17 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 3daa h VAL 209 Cb 0.55 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3daa h VAL 209 CO 0.03 0.44 -0.08 0.40 0.02 0.00 0.00 177.57 178.38 3daa h ILE 210 N 0.95 1.24 -0.21 4.57 2.04 -1.04 -0.85 117.51 124.21 3daa h ILE 210 Ca 0.16 -1.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 3daa h ILE 210 Cb 0.63 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3daa h ILE 210 CO 0.04 0.35 -0.36 0.00 0.00 0.00 0.00 178.15 178.19 3daa h ALA 211 N 1.31 0.99 -0.47 1.87 0.00 -0.77 -2.62 119.26 119.58 3daa h ALA 211 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3daa h ALA 211 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3daa h ALA 211 CO 0.03 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.71 3daa h ALA 213 N 1.00 0.82 -0.21 0.00 0.00 -0.96 -1.63 119.26 118.29 3daa h ALA 213 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3daa h ALA 213 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3daa h ALA 213 CO 0.05 0.35 0.11 -0.91 0.00 0.00 0.00 179.25 178.85 3daa h ASN 214 N 0.88 0.17 0.15 0.00 2.35 -1.30 0.74 115.58 118.56 3daa h ASN 214 Ca 0.22 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3daa h ASN 214 Cb 0.06 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3daa h ASN 214 CO -0.03 0.13 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.46 3daa h GLU 215 N 0.23 0.00 -0.67 0.81 5.08 -1.01 -1.65 114.58 117.37 3daa h GLU 215 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3daa h GLU 215 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3daa h GLU 215 CO -0.05 0.09 0.00 0.44 -1.00 0.00 0.00 179.01 178.49 3daa n ILE 216 N -4.05 1.74 -2.31 3.13 -5.35 -0.65 -4.96 119.36 106.92 3daa n ILE 216 Ca -0.03 -1.17 -0.17 0.00 -0.27 0.00 0.00 62.75 61.12 3daa n ILE 216 Cb 0.18 0.18 -0.01 0.00 -1.74 0.00 0.00 39.64 38.24 3daa n ILE 216 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3daa n ASN 217 N 1.23 -4.94 -4.72 7.28 5.15 -0.62 -5.01 115.26 113.64 3daa n ASN 217 Ca 0.26 -0.01 -0.35 0.00 -0.60 0.00 0.00 54.58 53.88 3daa n ASN 217 Cb 0.87 -4.04 -0.08 0.00 -0.53 0.00 0.00 39.78 36.00 3daa n ASN 217 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 3daa s MET 218 N -4.82 4.18 0.29 1.20 1.75 0.20 -5.02 119.30 117.09 3daa s MET 218 Ca 0.00 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 53.94 3daa s MET 218 Cb 0.00 -3.43 -0.11 0.00 2.84 0.00 0.00 34.83 34.13 3daa s MET 218 CO 0.00 0.27 1.49 -2.14 -0.65 0.00 0.00 175.02 173.99 3daa s PRO 219 N 0.45 4.20 -0.08 4.11 0.02 -1.26 -4.18 135.00 138.26 3daa s PRO 219 Ca 0.09 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.59 3daa s PRO 219 Cb -0.11 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3daa s PRO 219 CO -0.01 -0.49 -0.24 0.08 -0.33 0.00 0.00 177.00 176.00 3daa s VAL 220 N -0.26 2.09 -0.22 3.83 1.01 -1.26 -1.42 120.40 124.16 3daa s VAL 220 Ca 0.59 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3daa s VAL 220 Cb -0.45 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.22 3daa s VAL 220 CO 0.49 0.57 -0.03 -0.54 0.00 0.00 0.00 175.10 175.58 3daa s LYS 221 N 0.07 1.40 -1.40 2.72 -0.14 0.14 -4.96 119.74 117.58 3daa s LYS 221 Ca -0.11 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 53.58 3daa s LYS 221 Cb -0.16 -2.46 0.08 0.00 -1.68 0.00 0.00 37.83 33.61 3daa s LYS 221 CO 0.06 -0.60 2.39 0.39 -0.76 0.00 0.00 175.35 176.83 3daa n GLU 222 N 4.76 4.02 -5.05 1.68 1.02 -1.26 -2.75 120.64 123.07 3daa n GLU 222 Ca -0.11 -3.11 -0.31 0.00 -0.02 0.00 0.00 57.16 53.61 3daa n GLU 222 Cb 0.45 -2.79 -0.15 0.00 -0.02 0.00 0.00 31.44 28.93 3daa n GLU 222 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3daa s ILE 223 N 0.33 2.22 0.53 -3.67 1.09 -1.01 -3.63 121.20 117.06 3daa s ILE 223 Ca 0.54 -1.21 -0.18 0.00 -1.10 0.00 0.00 60.65 58.70 3daa s ILE 223 Cb 0.16 -1.83 -0.07 0.00 -1.06 0.00 0.00 42.46 39.66 3daa s ILE 223 CO -0.06 0.47 1.03 -2.16 -0.10 0.00 0.00 174.94 174.12 3daa s PRO 224 N -0.96 3.65 0.08 2.79 0.04 -1.26 -3.74 135.00 135.60 3daa s PRO 224 Ca 0.11 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.45 3daa s PRO 224 Cb -0.10 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3daa s PRO 224 CO 0.01 -0.54 -0.16 -0.59 0.04 0.00 0.00 177.00 175.76 3daa s PHE 225 N -2.26 1.35 0.84 0.56 -0.12 -1.26 -5.00 117.98 112.09 3daa s PHE 225 Ca 0.65 -0.46 -0.12 0.00 -0.05 0.00 0.00 56.93 56.94 3daa s PHE 225 Cb -0.15 -0.75 0.11 0.00 -0.63 0.00 0.00 43.02 41.60 3daa s PHE 225 CO 0.28 0.09 1.20 0.95 -0.05 0.00 0.00 175.22 177.69 3daa s THR 226 N -1.30 2.03 0.27 -4.49 -4.23 -1.26 -1.04 115.64 105.62 3daa s THR 226 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 3daa s THR 226 Cb -0.10 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 70.88 3daa s THR 226 CO 0.03 0.00 1.79 0.71 -0.54 0.00 0.00 174.62 176.61 3daa h THR 227 N -1.18 1.23 -0.64 3.99 1.35 -1.68 0.23 112.91 116.21 3daa h THR 227 Ca -0.45 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.45 3daa h THR 227 Cb 1.30 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.52 3daa h THR 227 CO 0.57 0.33 0.28 0.45 -0.25 0.00 0.00 175.52 176.90 3daa h HIS 228 N 0.73 0.95 -0.15 4.73 3.86 -1.94 -1.51 115.15 121.82 3daa h HIS 228 Ca 0.15 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 3daa h HIS 228 Cb 0.39 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3daa h HIS 228 CO 0.02 0.73 -0.56 0.93 0.86 0.00 0.00 177.93 179.91 3daa h GLU 229 N 0.89 0.46 -0.76 2.45 5.08 -1.79 -3.03 114.58 117.89 3daa h GLU 229 Ca 0.22 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3daa h GLU 229 Cb 0.16 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3daa h GLU 229 CO -0.02 0.90 0.28 0.00 -1.00 0.00 0.00 179.01 179.17 3daa h ALA 230 N 1.03 1.06 0.00 3.43 0.00 -0.19 -2.44 119.26 122.16 3daa h ALA 230 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3daa h ALA 230 Cb 1.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3daa h ALA 230 CO 0.10 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.93 3daa h LEU 231 N 1.11 0.00 -1.75 0.00 3.38 -1.22 -2.95 115.31 113.88 3daa h LEU 231 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3daa h LEU 231 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3daa h LEU 231 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 3daa n LYS 232 N -2.96 2.20 -1.90 1.13 5.02 -0.94 -4.74 118.16 115.96 3daa n LYS 232 Ca 0.01 -1.74 -0.35 0.00 -2.02 0.00 0.00 58.31 54.21 3daa n LYS 232 Cb 0.30 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.97 2.85 0.16 1.97 -1.94 -1.07 -4.94 119.30 114.36 3daa s MET 233 Ca 0.31 1.71 -0.03 0.00 -1.71 0.00 0.00 55.69 55.97 3daa s MET 233 Cb 0.20 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 35.13 3daa s MET 233 CO 0.31 -1.27 1.40 -0.44 -0.01 0.00 0.00 175.02 175.00 3daa h ASP 234 N 0.58 0.54 -5.26 3.03 3.32 -0.40 -3.38 116.42 114.85 3daa h ASP 234 Ca -0.49 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.07 3daa h ASP 234 Cb 1.28 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 3daa h ASP 234 CO 0.54 1.12 -0.56 -1.61 -1.72 0.00 0.00 179.24 177.02 3daa s GLU 235 N -3.58 0.79 -0.23 3.56 2.02 -0.76 -4.52 118.70 115.97 3daa s GLU 235 Ca -0.06 -1.19 -0.24 0.00 0.02 0.00 0.00 54.97 53.49 3daa s GLU 235 Cb 0.10 0.27 0.07 0.00 0.10 0.00 0.00 34.13 34.66 3daa s GLU 235 CO 0.85 -0.21 0.67 -1.17 0.02 0.00 0.00 175.26 175.42 3daa s LEU 236 N -2.94 -0.58 0.09 1.80 1.98 -1.26 -0.83 118.68 116.95 3daa s LEU 236 Ca 0.11 1.28 -0.22 0.00 -2.89 0.00 0.00 54.13 52.41 3daa s LEU 236 Cb 0.07 2.33 0.06 0.00 0.66 0.00 0.00 46.19 49.31 3daa s LEU 236 CO -0.07 -0.28 0.55 0.72 -1.89 0.00 0.00 176.35 175.38 3daa s PHE 237 N 0.18 -0.45 0.22 5.38 -0.12 -0.79 -0.42 117.98 121.97 3daa s PHE 237 Ca -0.01 0.40 0.08 0.00 -0.05 0.00 0.00 56.93 57.34 3daa s PHE 237 Cb -0.04 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 3daa s PHE 237 CO 0.02 -0.72 0.05 0.14 -0.05 0.00 0.00 175.22 174.66 3daa s VAL 238 N -2.99 3.83 0.01 -2.49 -7.23 -0.71 -0.83 120.40 109.98 3daa s VAL 238 Ca -0.02 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3daa s VAL 238 Cb -0.00 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 3daa s VAL 238 CO -0.06 -0.26 -0.06 0.42 -0.31 0.00 0.00 175.10 174.84 3daa s THR 239 N -2.03 0.44 0.05 5.32 -4.23 0.27 -2.26 115.64 113.19 3daa s THR 239 Ca 0.30 -0.44 -0.27 0.00 -1.18 0.00 0.00 61.69 60.09 3daa s THR 239 Cb -0.08 -0.41 0.09 0.00 1.34 0.00 0.00 72.50 73.44 3daa s THR 239 CO 0.21 -0.02 0.90 -0.94 -0.54 0.00 0.00 174.62 174.23 3daa s SER 240 N -0.50 -0.32 0.41 3.99 1.04 -1.15 -1.00 113.70 116.17 3daa s SER 240 Ca -0.01 -0.11 0.14 0.00 0.48 0.00 0.00 55.95 56.44 3daa s SER 240 Cb -0.04 0.42 0.99 0.00 0.10 0.00 0.00 66.02 67.49 3daa s SER 240 CO -0.00 -0.71 1.91 0.74 0.98 0.00 0.00 173.24 176.16 3daa h THR 241 N 2.00 0.81 0.02 2.02 2.02 -1.90 0.38 112.91 118.27 3daa h THR 241 Ca -0.23 -0.17 -0.33 0.00 0.77 0.00 0.00 66.41 66.45 3daa h THR 241 Cb 1.24 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 3daa h THR 241 CO 0.30 0.09 -1.99 0.35 0.37 0.00 0.00 175.52 174.63 3daa n THR 242 N -4.50 1.58 0.61 3.16 -2.24 -1.26 -4.37 114.28 107.26 3daa n THR 242 Ca 0.15 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 3daa n THR 242 Cb 0.50 -1.06 0.20 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.07 0.69 0.00 3.42 7.64 -1.01 -4.64 113.62 116.64 3daa n SER 243 Ca -0.26 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3daa n SER 243 Cb 1.07 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 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 -2.08 0.00 -3.66 1.43 1.02 0.13 -3.35 120.64 114.12 3daa n GLU 244 Ca 0.04 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.79 3daa n GLU 244 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.76 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 3.84 -0.38 -3.67 1.01 -1.26 -2.92 121.20 117.81 3daa s ILE 245 Ca 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 60.65 58.26 3daa s ILE 245 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.95 3daa s ILE 245 CO 0.00 -0.79 0.24 -0.89 0.00 0.00 0.00 174.94 173.50 3daa s THR 246 N 0.79 4.85 0.42 2.92 2.01 -0.96 -4.73 115.64 120.95 3daa s THR 246 Ca 0.11 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.10 3daa s THR 246 Cb -0.22 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 3daa s THR 246 CO -0.03 -0.25 1.29 -2.16 -0.69 0.00 0.00 174.62 172.78 3daa s PRO 247 N 1.61 3.87 -0.25 4.92 0.04 -1.26 -1.74 135.00 142.18 3daa s PRO 247 Ca 0.03 2.11 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 3daa s PRO 247 Cb -0.19 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3daa s PRO 247 CO 0.08 -0.56 0.05 0.08 0.04 0.00 0.00 177.00 176.69 3daa s VAL 248 N -1.30 4.02 -0.79 -0.36 1.01 0.43 -0.72 120.40 122.70 3daa s VAL 248 Ca 0.59 -0.37 0.17 0.00 0.00 0.00 0.00 61.98 62.38 3daa s VAL 248 Cb -0.37 -2.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.90 3daa s VAL 248 CO 0.47 0.30 0.72 2.30 0.00 0.00 0.00 175.10 178.89 3daa n ILE 249 N 4.88 0.00 -3.65 2.22 -5.35 -0.88 -4.27 119.36 112.30 3daa n ILE 249 Ca -0.16 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 3daa n ILE 249 Cb 0.50 0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 3daa n ILE 249 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3daa s GLU 250 N -2.67 0.69 -0.15 6.28 2.12 -1.24 -0.90 118.70 122.82 3daa s GLU 250 Ca 0.06 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.40 3daa s GLU 250 Cb 0.13 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.78 3daa s GLU 250 CO 0.72 -0.12 -0.14 0.42 -0.54 0.00 0.00 175.26 175.60 3daa s ILE 251 N 0.97 1.58 -1.49 -3.70 1.01 -0.07 -0.70 121.20 118.79 3daa s ILE 251 Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 3daa s ILE 251 Cb -0.05 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 41.00 3daa s ILE 251 CO -0.09 0.44 0.88 0.47 0.00 0.00 0.00 174.94 176.65 3daa n ASP 252 N 4.77 -3.69 0.00 3.58 8.00 -0.56 -0.78 116.55 127.87 3daa n ASP 252 Ca -0.17 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3daa n ASP 252 Cb 0.50 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 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 -1.67 2.27 3.59 0.44 0.00 -1.26 -4.99 105.19 103.57 3daa n GLY 253 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.02 3.89 0.61 1.61 -0.14 0.04 -5.06 119.74 120.68 3daa s LYS 254 Ca 0.00 0.01 -0.18 0.00 -1.36 0.00 0.00 55.97 54.44 3daa s LYS 254 Cb 0.00 -3.70 -0.03 0.00 -1.68 0.00 0.00 37.83 32.42 3daa s LYS 254 CO 0.00 -0.40 1.21 -0.51 -0.76 0.00 0.00 175.35 174.89 3daa s LEU 255 N 2.19 3.62 -0.45 3.17 1.43 -1.26 -0.89 118.68 126.49 3daa s LEU 255 Ca 0.17 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 3daa s LEU 255 Cb -0.16 -4.60 0.05 0.00 0.03 0.00 0.00 46.19 41.52 3daa s LEU 255 CO 0.11 -1.67 0.37 -0.63 0.23 0.00 0.00 176.35 174.75 3daa s ILE 256 N -1.63 5.23 0.00 -0.59 -1.09 -0.08 -4.85 121.20 118.18 3daa s ILE 256 Ca 0.77 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 3daa s ILE 256 Cb -0.30 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 3daa s ILE 256 CO 0.35 -0.49 0.00 0.54 -1.23 0.00 0.00 174.94 174.11 3daa n ARG 257 N 5.23 0.00 -0.22 2.79 5.12 -1.26 -1.46 116.66 126.85 3daa n ARG 257 Ca -0.12 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.90 3daa n ARG 257 Cb 0.45 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.97 3daa n ARG 257 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3daa n ASP 258 N 10.90 3.34 0.00 0.55 5.75 -1.26 -4.94 116.55 130.89 3daa n ASP 258 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3daa n ASP 258 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 3daa n ASP 258 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3daa n GLY 259 N 1.21 0.41 3.31 6.12 0.00 -0.53 -5.05 105.19 110.66 3daa n GLY 259 Ca 0.18 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.55 1.19 0.15 1.61 -0.14 -1.26 -4.85 119.74 114.89 3daa s LYS 260 Ca 0.00 -1.32 -0.31 0.00 -1.36 0.00 0.00 55.97 52.97 3daa s LYS 260 Cb 0.00 -1.26 -0.11 0.00 -1.68 0.00 0.00 37.83 34.78 3daa s LYS 260 CO 0.00 0.26 1.74 0.08 -0.76 0.00 0.00 175.35 176.67 3daa s VAL 261 N -1.87 2.43 0.81 3.17 1.01 -1.26 -4.98 120.40 119.70 3daa s VAL 261 Ca 0.12 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3daa s VAL 261 Cb -0.06 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.31 3daa s VAL 261 CO 0.05 0.00 1.13 -0.83 0.00 0.00 0.00 175.10 175.46 3daa s GLY 262 N 1.95 1.60 0.15 4.51 0.00 -1.26 -4.96 107.32 109.32 3daa s GLY 262 Ca 0.77 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.96 3daa s GLY 262 CO 0.34 0.05 1.51 1.05 0.00 0.00 0.00 173.10 176.05 3daa h GLU 263 N -1.10 0.97 -0.21 2.90 4.11 -1.97 -2.52 114.58 116.76 3daa h GLU 263 Ca -0.47 -0.46 -0.12 0.00 0.07 0.00 0.00 59.36 58.38 3daa h GLU 263 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3daa h GLU 263 CO 0.62 1.13 -0.38 -1.49 0.07 0.00 0.00 179.01 178.96 3daa h TRP 264 N 0.81 0.55 -0.48 2.06 4.06 -1.99 -0.71 115.95 120.26 3daa h TRP 264 Ca 0.09 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 60.84 3daa h TRP 264 Cb 0.88 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 3daa h TRP 264 CO 0.06 0.78 0.12 1.15 -3.56 0.00 0.00 178.44 176.99 3daa h THR 265 N 0.39 1.24 -0.53 1.49 2.02 -1.94 -1.18 112.91 114.39 3daa h THR 265 Ca 0.04 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.41 3daa h THR 265 Cb 0.85 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3daa h THR 265 CO 0.07 0.30 0.34 0.03 0.37 0.00 0.00 175.52 176.63 3daa h ARG 266 N 0.65 0.66 -0.96 6.66 2.47 -1.07 0.76 114.38 123.55 3daa h ARG 266 Ca 0.15 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3daa h ARG 266 Cb 0.32 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.45 3daa h ARG 266 CO 0.00 0.44 0.62 0.87 0.56 0.00 0.00 179.97 182.46 3daa h LYS 267 N 0.68 1.28 -0.34 0.04 1.57 -0.80 -0.93 116.57 118.08 3daa h LYS 267 Ca 0.20 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3daa h LYS 267 Cb -0.03 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3daa h LYS 267 CO -0.07 0.86 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.22 3daa h LEU 268 N 1.31 0.85 -1.09 2.94 3.38 -0.63 -2.12 115.31 119.96 3daa h LEU 268 Ca 0.35 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3daa h LEU 268 Cb -0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3daa h LEU 268 CO -0.07 1.14 0.04 1.56 0.09 0.00 0.00 178.44 181.19 3daa h GLN 269 N 0.66 0.68 -0.34 1.13 4.20 -0.31 -0.21 115.11 120.93 3daa h GLN 269 Ca 0.06 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.45 3daa h GLN 269 Cb 0.95 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3daa h GLN 269 CO 0.09 0.67 -0.43 -0.22 -0.67 0.00 0.00 178.83 178.27 3daa h LYS 270 N 0.65 0.89 -0.07 1.46 3.64 -1.06 -2.37 116.57 119.71 3daa h LYS 270 Ca 0.14 -0.51 -0.17 0.00 -1.27 0.00 0.00 60.65 58.84 3daa h LYS 270 Cb 0.35 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3daa h LYS 270 CO 0.01 1.15 -0.71 0.37 -2.27 0.00 0.00 179.45 178.00 3daa h GLN 271 N 0.69 0.33 -0.46 1.90 5.75 -1.15 -3.17 115.11 119.01 3daa h GLN 271 Ca 0.04 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3daa h GLN 271 Cb 1.03 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 3daa h GLN 271 CO 0.10 0.91 0.05 0.35 -2.65 0.00 0.00 178.83 177.59 3daa h PHE 272 N 0.23 0.75 0.00 3.99 3.57 -0.96 -2.45 116.94 122.07 3daa h PHE 272 Ca -0.02 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3daa h PHE 272 Cb 1.27 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 3daa h PHE 272 CO 0.04 0.67 -0.05 1.49 -2.23 0.00 0.00 178.31 178.23 3daa h GLU 273 N 0.69 0.00 0.00 1.11 4.57 -1.40 -1.82 114.58 117.73 3daa h GLU 273 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3daa h GLU 273 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3daa h GLU 273 CO 0.01 0.05 0.00 1.79 -1.18 0.00 0.00 179.01 179.68 3daa h THR 274 N 0.00 0.00 0.00 0.32 1.35 -1.51 -3.00 112.91 110.07 3daa h THR 274 Ca -0.00 -0.36 -0.19 0.00 -0.55 0.00 0.00 66.41 65.32 3daa h THR 274 Cb 0.10 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 3daa h THR 274 CO 0.01 0.00 -1.34 0.11 -0.25 0.00 0.00 175.52 174.04 3daa h LYS 275 N 0.00 0.00 -6.94 4.72 6.56 -1.44 -3.48 116.57 115.99 3daa h LYS 275 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 3daa h LYS 275 Cb 0.45 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.22 3daa h LYS 275 CO 0.00 0.38 0.75 0.42 -2.06 0.00 0.00 179.45 178.94 3daa s ILE 276 N -2.86 2.14 -2.00 1.86 1.01 -1.14 -5.00 121.20 115.22 3daa s ILE 276 Ca -0.02 0.14 0.13 0.00 0.00 0.00 0.00 60.65 60.89 3daa s ILE 276 Cb 0.08 -3.09 0.36 0.00 0.01 0.00 0.00 42.46 39.83 3daa s ILE 276 CO 0.81 0.03 1.18 -2.65 0.00 0.00 0.00 174.94 174.31