#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hja s LYS 2 N 0.00 3.57 -0.12 3.17 1.02 -1.26 -3.20 119.74 122.92 3hja s LYS 2 Ca 0.00 -0.54 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 3hja s LYS 2 Cb 0.00 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 3hja s LYS 2 CO 0.00 -0.23 0.07 -1.17 -0.92 0.00 0.00 175.35 173.10 3hja s LEU 3 N 1.60 3.94 0.16 3.17 2.96 -0.08 -0.95 118.68 129.48 3hja s LEU 3 Ca 0.06 0.26 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 3hja s LEU 3 Cb -0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3hja s LEU 3 CO 0.03 0.35 -0.23 0.00 -1.32 0.00 0.00 176.35 175.18 3hja s ALA 4 N -0.69 2.32 -0.17 5.97 0.00 -0.54 -0.36 121.76 128.29 3hja s ALA 4 Ca 0.12 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.56 3hja s ALA 4 Cb -0.12 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3hja s ALA 4 CO 0.02 0.42 -0.19 0.42 0.00 0.00 0.00 175.76 176.44 3hja s ILE 5 N -1.51 1.96 -0.39 0.00 1.01 -0.71 -0.64 121.20 120.91 3hja s ILE 5 Ca 0.16 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3hja s ILE 5 Cb -0.08 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3hja s ILE 5 CO 0.08 0.52 0.27 0.21 0.00 0.00 0.00 174.94 176.01 3hja s ASN 6 N 1.33 5.99 0.00 3.58 2.47 0.12 -0.87 114.94 127.56 3hja s ASN 6 Ca 0.05 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.47 3hja s ASN 6 Cb -0.13 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3hja s ASN 6 CO -0.12 -0.40 0.00 0.61 -3.72 0.00 0.00 177.10 173.46 3hja n GLY 7 N 5.11 -0.81 2.51 1.21 0.00 0.28 -0.08 105.19 113.41 3hja n GLY 7 Ca -0.11 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 3hja n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hja n PHE 8 N 0.30 2.60 -1.01 1.61 7.35 -1.25 -3.83 117.46 123.22 3hja n PHE 8 Ca 0.00 -2.74 0.00 0.00 -0.76 0.00 0.00 57.45 53.95 3hja n PHE 8 Cb 0.00 -1.70 0.00 0.00 0.35 0.00 0.00 39.48 38.13 3hja n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hja n GLY 9 N 1.34 2.40 0.15 7.13 0.00 -1.26 -4.52 105.19 110.44 3hja n GLY 9 Ca 0.59 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 3hja n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hja h ARG 10 N 0.00 0.26 -0.01 1.61 2.47 -1.92 0.24 114.38 117.03 3hja h ARG 10 Ca 0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3hja h ARG 10 Cb 0.00 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3hja h ARG 10 CO 0.00 0.17 -0.08 0.82 0.56 0.00 0.00 179.97 181.44 3hja h ILE 11 N 0.27 1.52 -0.83 2.04 1.08 -1.90 -2.85 117.51 116.83 3hja h ILE 11 Ca 0.16 -1.64 0.13 0.00 -0.39 0.00 0.00 64.86 63.12 3hja h ILE 11 Cb 0.13 2.57 -0.09 0.00 -3.07 0.00 0.00 36.82 36.37 3hja h ILE 11 CO -0.16 0.44 0.43 1.23 -0.69 0.00 0.00 178.15 179.40 3hja h GLY 12 N -0.56 1.34 1.28 5.37 0.00 -1.63 0.55 103.07 109.42 3hja h GLY 12 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 47.33 46.82 3hja h GLY 12 CO 0.02 -0.00 -0.97 3.21 0.00 0.00 0.00 176.54 178.79 3hja h ARG 13 N 0.65 0.66 -0.57 4.80 3.08 -1.04 -0.40 114.38 121.56 3hja h ARG 13 Ca 0.44 -0.67 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3hja h ARG 13 Cb 0.59 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3hja h ARG 13 CO -0.34 1.27 0.12 -0.91 -1.07 0.00 0.00 179.97 179.04 3hja h ASN 14 N 0.39 0.88 -0.78 7.04 2.35 -1.22 -1.31 115.58 122.94 3hja h ASN 14 Ca -0.10 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3hja h ASN 14 Cb 1.61 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.71 3hja h ASN 14 CO 0.19 0.89 0.51 0.58 -1.65 0.00 0.00 177.43 177.96 3hja h VAL 15 N 0.83 1.19 -0.10 2.81 2.07 -0.87 -1.60 116.25 120.58 3hja h VAL 15 Ca 0.18 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hja h VAL 15 Cb 0.37 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3hja h VAL 15 CO 0.00 0.19 -0.09 0.15 0.02 0.00 0.00 177.57 177.85 3hja h PHE 16 N 1.05 -0.21 -0.49 1.57 3.57 -0.73 -0.56 116.94 121.13 3hja h PHE 16 Ca 0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hja h PHE 16 Cb -0.11 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hja h PHE 16 CO -0.02 -0.13 0.28 0.87 -2.23 0.00 0.00 178.31 177.07 3hja h LYS 17 N -0.10 0.68 -0.18 1.11 1.57 -0.90 0.77 116.57 119.52 3hja h LYS 17 Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hja h LYS 17 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hja h LYS 17 CO -0.16 0.53 0.07 0.82 -0.57 0.00 0.00 179.45 180.13 3hja h ILE 18 N 0.65 1.17 -0.50 1.86 2.04 -1.19 -2.32 117.51 119.22 3hja h ILE 18 Ca 0.17 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3hja h ILE 18 Cb 0.04 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3hja h ILE 18 CO -0.03 0.16 0.08 0.00 0.00 0.00 0.00 178.15 178.37 3hja h ALA 19 N 0.90 0.66 -0.66 1.87 0.00 -0.98 -2.92 119.26 118.13 3hja h ALA 19 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hja h ALA 19 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hja h ALA 19 CO -0.00 0.39 0.40 0.35 0.00 0.00 0.00 179.25 180.39 3hja h PHE 20 N 0.69 0.86 0.00 0.00 3.57 -0.85 -1.72 116.94 119.50 3hja h PHE 20 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3hja h PHE 20 Cb 0.39 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3hja h PHE 20 CO 0.03 0.58 -0.07 1.49 -2.23 0.00 0.00 178.31 178.10 3hja h GLU 21 N 0.90 0.00 -0.01 1.11 4.57 -1.32 -1.77 114.58 118.06 3hja h GLU 21 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3hja h GLU 21 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3hja h GLU 21 CO -0.05 0.07 -0.06 0.54 -1.18 0.00 0.00 179.01 178.34 3hja n ARG 22 N -4.15 1.04 -0.82 1.92 1.74 -0.68 -4.92 116.66 110.79 3hja n ARG 22 Ca -0.03 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3hja n ARG 22 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3hja n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hja n GLY 23 N 1.18 0.63 3.77 -0.13 0.00 -0.66 -5.03 105.19 104.95 3hja n GLY 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hja n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 24 N -2.19 2.41 -0.74 -0.61 1.01 -0.96 -4.92 121.20 115.19 3hja s ILE 24 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 3hja s ILE 24 Cb 0.00 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.25 3hja s ILE 24 CO 0.00 0.09 1.25 -0.62 0.00 0.00 0.00 174.94 175.66 3hja s ASP 25 N -0.24 6.17 -0.53 3.58 2.15 -1.19 -4.64 116.67 121.97 3hja s ASP 25 Ca 0.52 -0.53 -0.22 0.00 0.43 0.00 0.00 52.55 52.74 3hja s ASP 25 Cb -0.43 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 39.69 3hja s ASP 25 CO 0.56 -1.79 0.83 -0.63 -0.17 0.00 0.00 175.17 173.98 3hja s ILE 26 N 5.53 4.56 -0.07 4.11 1.01 -1.26 -0.90 121.20 134.18 3hja s ILE 26 Ca 0.34 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 3hja s ILE 26 Cb -0.09 -4.45 -0.30 0.00 0.01 0.00 0.00 42.46 37.64 3hja s ILE 26 CO 0.14 -0.98 0.76 0.58 0.00 0.00 0.00 174.94 175.44 3hja h VAL 27 N 5.97 1.33 -3.13 2.92 2.07 -1.06 -3.43 116.25 120.92 3hja h VAL 27 Ca -0.26 -2.49 -0.09 0.00 0.82 0.00 0.00 66.70 64.68 3hja h VAL 27 Cb 1.08 3.01 -0.17 0.00 -1.52 0.00 0.00 31.29 33.69 3hja h VAL 27 CO 1.04 0.71 -0.19 0.00 0.02 0.00 0.00 177.57 179.15 3hja s ALA 28 N -2.45 -0.85 -0.06 1.67 0.00 -1.24 -1.70 121.76 117.14 3hja s ALA 28 Ca -0.16 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3hja s ALA 28 Cb 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 3hja s ALA 28 CO 0.80 -0.41 -0.19 0.42 0.00 0.00 0.00 175.76 176.38 3hja s ILE 29 N -2.32 1.63 -0.08 0.00 1.01 0.43 -1.73 121.20 120.13 3hja s ILE 29 Ca -0.06 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3hja s ILE 29 Cb -0.01 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3hja s ILE 29 CO -0.02 0.46 -0.15 0.21 0.00 0.00 0.00 174.94 175.45 3hja s ASN 30 N 0.12 3.94 0.00 3.58 2.47 -0.05 -0.25 114.94 124.76 3hja s ASN 30 Ca -0.08 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 52.93 3hja s ASN 30 Cb -0.14 -1.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.52 3hja s ASN 30 CO 0.04 0.27 0.00 -0.67 -3.72 0.00 0.00 177.10 173.01 3hja n ASP 31 N 2.84 0.00 -0.41 -4.21 2.03 -0.74 -0.56 116.55 115.50 3hja n ASP 31 Ca -0.18 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.21 3hja n ASP 31 Cb 0.52 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.11 3hja n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hja n LEU 32 N 0.00 2.60 0.00 -2.67 4.77 -1.26 -3.60 117.00 116.85 3hja n LEU 32 Ca 0.00 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 3hja n LEU 32 Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3hja n LEU 32 CO 0.00 1.13 0.00 1.07 -1.33 0.00 0.00 177.39 178.26 3hja n THR 33 N -1.24 0.00 -3.55 -5.08 5.66 -1.26 -5.08 114.28 103.72 3hja n THR 33 Ca 0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.98 3hja n THR 33 Cb 0.68 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.45 3hja n THR 33 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3hja s ASP 34 N -0.64 6.06 0.38 1.09 1.47 -1.26 -4.78 116.67 118.99 3hja s ASP 34 Ca 0.00 -0.06 0.07 0.00 1.18 0.00 0.00 52.55 53.73 3hja s ASP 34 Cb 0.00 -1.44 0.78 0.00 -0.34 0.00 0.00 42.92 41.92 3hja s ASP 34 CO 0.00 -0.36 1.99 -0.65 0.68 0.00 0.00 175.17 176.83 3hja h PRO 35 N 0.92 0.67 -0.63 2.11 0.11 -1.88 -2.39 132.00 130.91 3hja h PRO 35 Ca -0.47 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3hja h PRO 35 Cb 1.25 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 3hja h PRO 35 CO 0.55 0.44 0.37 0.87 -0.21 0.00 0.00 178.00 180.03 3hja h LYS 36 N 0.69 0.68 -0.41 1.05 6.56 -1.90 0.52 116.57 123.77 3hja h LYS 36 Ca 0.27 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.75 3hja h LYS 36 Cb 0.19 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 3hja h LYS 36 CO -0.08 0.45 0.02 1.15 -2.06 0.00 0.00 179.45 178.93 3hja h THR 37 N 0.71 1.26 -0.50 -0.16 2.02 -1.84 -1.46 112.91 112.94 3hja h THR 37 Ca 0.27 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 3hja h THR 37 Cb 0.10 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3hja h THR 37 CO -0.14 0.34 -0.19 -0.07 0.37 0.00 0.00 175.52 175.83 3hja h LEU 38 N 0.56 1.03 -0.47 2.58 3.38 -1.28 -0.81 115.31 120.31 3hja h LEU 38 Ca 0.12 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3hja h LEU 38 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hja h LEU 38 CO 0.02 1.18 0.26 0.00 0.09 0.00 0.00 178.44 179.99 3hja h ALA 39 N 0.89 0.61 -0.35 1.53 0.00 -0.83 -1.31 119.26 119.79 3hja h ALA 39 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hja h ALA 39 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hja h ALA 39 CO 0.06 0.13 0.16 1.25 0.00 0.00 0.00 179.25 180.85 3hja h HIS 40 N 0.62 0.52 -0.38 0.00 -0.00 -1.03 -0.84 115.15 114.05 3hja h HIS 40 Ca 0.17 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 3hja h HIS 40 Cb 0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 3hja h HIS 40 CO -0.02 0.46 0.00 -0.07 -0.00 0.00 0.00 177.93 178.30 3hja h LEU 41 N 0.43 0.57 -0.28 0.26 3.38 -1.06 -1.25 115.31 117.35 3hja h LEU 41 Ca 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hja h LEU 41 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hja h LEU 41 CO -0.01 0.64 -0.00 0.25 0.09 0.00 0.00 178.44 179.41 3hja h LEU 42 N 0.58 0.49 -0.34 1.67 5.85 -1.03 -3.30 115.31 119.22 3hja h LEU 42 Ca 0.12 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3hja h LEU 42 Cb 0.37 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hja h LEU 42 CO 0.01 0.68 -0.09 0.50 -0.34 0.00 0.00 178.44 179.20 3hja h LYS 43 N 0.29 0.67 -4.74 1.25 1.63 -0.86 -3.41 116.57 111.39 3hja h LYS 43 Ca 0.08 -0.26 -0.67 0.00 -0.85 0.00 0.00 60.65 58.94 3hja h LYS 43 Cb 0.43 -0.04 -0.36 0.00 -0.60 0.00 0.00 32.23 31.66 3hja h LYS 43 CO 0.01 0.84 -0.72 0.71 -3.45 0.00 0.00 179.45 176.85 3hja s TYR 44 N -4.76 3.44 -0.23 1.91 2.02 -0.50 -0.35 117.35 118.88 3hja s TYR 44 Ca -0.13 -2.38 -0.04 0.00 -0.37 0.00 0.00 57.07 54.16 3hja s TYR 44 Cb 0.09 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 3hja s TYR 44 CO 0.80 -0.89 -0.04 0.34 -1.57 0.00 0.00 175.55 174.19 3hja s ASP 45 N 1.20 4.33 0.44 2.29 -1.08 -0.83 -4.66 116.67 118.36 3hja s ASP 45 Ca -0.00 -0.52 0.13 0.00 -0.52 0.00 0.00 52.55 51.63 3hja s ASP 45 Cb -0.20 -1.73 0.97 0.00 -1.46 0.00 0.00 42.92 40.50 3hja s ASP 45 CO -0.04 -0.06 1.99 0.28 0.52 0.00 0.00 175.17 177.86 3hja h SER 46 N 8.10 0.06 0.12 -0.34 0.02 -1.93 0.36 113.55 119.95 3hja h SER 46 Ca -0.39 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.28 3hja h SER 46 Cb 1.15 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3hja h SER 46 CO 0.60 0.22 -1.37 0.74 -1.14 0.00 0.00 176.83 175.88 3hja h THR 47 N 0.07 1.08 -0.00 -2.27 2.02 -1.98 -3.41 112.91 108.41 3hja h THR 47 Ca 0.01 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.77 3hja h THR 47 Cb 0.30 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 3hja h THR 47 CO 0.02 0.71 -0.44 0.49 0.37 0.00 0.00 175.52 176.67 3hja n PHE 48 N -3.92 0.00 0.00 3.16 3.72 -1.18 -5.06 117.46 114.18 3hja n PHE 48 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3hja n PHE 48 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 3hja n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hja n GLY 49 N 1.18 -1.55 3.72 1.37 0.00 0.13 -4.96 105.19 105.07 3hja n GLY 49 Ca 0.03 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3hja n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hja s VAL 50 N 0.00 4.91 -0.07 1.61 1.01 -1.26 -1.97 120.40 124.63 3hja s VAL 50 Ca 0.00 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 3hja s VAL 50 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3hja s VAL 50 CO 0.00 0.24 1.51 -0.47 0.00 0.00 0.00 175.10 176.38 3hja s TYR 51 N 0.69 2.35 -0.00 5.22 5.04 0.53 -4.89 117.35 126.28 3hja s TYR 51 Ca 0.43 0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 55.55 3hja s TYR 51 Cb -0.20 -3.77 -0.05 0.00 0.35 0.00 0.00 41.96 38.29 3hja s TYR 51 CO 0.23 -3.08 2.33 0.27 -1.34 0.00 0.00 175.55 173.97 3hja n ASN 52 N 6.69 5.34 -4.08 4.32 6.94 -1.26 -4.77 115.26 128.44 3hja n ASN 52 Ca 0.16 -2.43 -0.11 0.00 -0.02 0.00 0.00 54.58 52.18 3hja n ASN 52 Cb 0.43 -1.19 -0.11 0.00 -2.36 0.00 0.00 39.78 36.56 3hja n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hja s LYS 53 N 0.18 0.58 -0.09 -3.83 1.02 -1.26 -5.11 119.74 111.23 3hja s LYS 53 Ca 0.14 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3hja s LYS 53 Cb 0.07 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 3hja s LYS 53 CO -0.00 -0.01 1.55 0.21 -0.92 0.00 0.00 175.35 176.18 3hja s LYS 54 N -2.48 4.19 -0.17 1.68 2.47 -1.26 -4.90 119.74 119.26 3hja s LYS 54 Ca -0.03 2.04 0.01 0.00 -1.56 0.00 0.00 55.97 56.43 3hja s LYS 54 Cb -0.03 -3.93 0.01 0.00 -1.46 0.00 0.00 37.83 32.42 3hja s LYS 54 CO -0.03 -0.81 -0.19 0.08 0.16 0.00 0.00 175.35 174.56 3hja s VAL 55 N 3.91 2.21 0.12 4.02 1.01 -1.26 -0.95 120.40 129.47 3hja s VAL 55 Ca 0.68 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.86 3hja s VAL 55 Cb -0.30 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3hja s VAL 55 CO 0.25 0.53 -0.25 -0.70 0.00 0.00 0.00 175.10 174.93 3hja s GLU 56 N 1.15 1.33 0.15 2.72 2.12 0.30 -4.98 118.70 121.49 3hja s GLU 56 Ca 0.01 -1.30 0.10 0.00 0.36 0.00 0.00 54.97 54.14 3hja s GLU 56 Cb -0.14 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 3hja s GLU 56 CO -0.08 0.41 -0.21 -1.54 -0.54 0.00 0.00 175.26 173.30 3hja s SER 57 N -2.03 3.67 0.37 -1.70 1.04 -1.26 -0.41 113.70 113.37 3hja s SER 57 Ca 0.12 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 3hja s SER 57 Cb -0.10 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.63 3hja s SER 57 CO 0.06 0.15 0.54 -2.11 0.98 0.00 0.00 173.24 172.85 3hja n ARG 58 N 0.54 0.77 -1.68 4.02 1.85 -0.39 -4.97 116.66 116.81 3hja n ARG 58 Ca -0.14 -2.84 -0.47 0.00 -1.00 0.00 0.00 57.85 53.39 3hja n ARG 58 Cb 0.54 2.80 -0.04 0.00 -1.05 0.00 0.00 32.46 34.71 3hja n ARG 58 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hja n ASP 59 N -1.60 3.48 -1.22 2.89 8.00 -1.26 -2.70 116.55 124.15 3hja n ASP 59 Ca -0.00 0.99 -0.16 0.00 0.71 0.00 0.00 54.79 56.33 3hja n ASP 59 Cb 0.61 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.23 3hja n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hja n GLY 60 N 4.21 1.58 3.47 0.44 0.00 -1.26 -4.94 105.19 108.69 3hja n GLY 60 Ca 0.21 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3hja n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja s ALA 61 N -2.50 -1.74 0.31 4.61 0.00 -1.10 -1.23 121.76 120.10 3hja s ALA 61 Ca 0.00 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.91 3hja s ALA 61 Cb 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 3hja s ALA 61 CO 0.00 -0.70 -0.12 0.96 0.00 0.00 0.00 175.76 175.89 3hja s ILE 62 N -3.27 2.50 -0.08 0.00 -4.36 -0.44 -1.26 121.20 114.30 3hja s ILE 62 Ca 0.03 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 3hja s ILE 62 Cb -0.01 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.20 3hja s ILE 62 CO -0.10 -0.31 -0.05 -0.69 0.24 0.00 0.00 174.94 174.03 3hja s VAL 63 N -2.53 0.71 -0.21 8.37 1.01 0.45 -0.41 120.40 127.78 3hja s VAL 63 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3hja s VAL 63 Cb -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.64 3hja s VAL 63 CO 0.16 0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 174.72 3hja s VAL 64 N 1.44 2.06 -1.40 2.92 1.01 0.27 -0.54 120.40 126.16 3hja s VAL 64 Ca -0.02 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.60 3hja s VAL 64 Cb -0.13 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3hja s VAL 64 CO -0.04 0.28 0.30 0.47 0.00 0.00 0.00 175.10 176.12 3hja n ASP 65 N 4.55 -1.22 0.00 3.32 8.00 -0.12 -1.10 116.55 129.99 3hja n ASP 65 Ca -0.18 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.05 3hja n ASP 65 Cb 0.46 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 3hja n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hja n GLY 66 N -2.35 1.23 3.62 0.44 0.00 -1.26 -5.00 105.19 101.86 3hja n GLY 66 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3hja n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hja s ARG 67 N -0.13 4.05 0.02 1.61 0.52 -0.25 -5.07 118.95 119.70 3hja s ARG 67 Ca 0.00 0.04 -0.24 0.00 -0.52 0.00 0.00 55.73 55.01 3hja s ARG 67 Cb 0.00 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 3hja s ARG 67 CO 0.00 -0.21 0.74 -2.00 0.02 0.00 0.00 175.30 173.85 3hja s GLU 68 N 1.87 4.47 -0.10 3.54 2.12 -1.26 -0.57 118.70 128.77 3hja s GLU 68 Ca 0.15 1.01 0.01 0.00 0.36 0.00 0.00 54.97 56.50 3hja s GLU 68 Cb -0.15 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3hja s GLU 68 CO 0.09 0.25 -0.13 0.42 -0.54 0.00 0.00 175.26 175.35 3hja s ILE 69 N 0.10 1.30 0.36 -3.70 1.09 0.45 -4.92 121.20 115.88 3hja s ILE 69 Ca 0.38 -0.52 -0.27 0.00 -1.10 0.00 0.00 60.65 59.13 3hja s ILE 69 Cb -0.20 -1.22 -0.09 0.00 -1.06 0.00 0.00 42.46 39.89 3hja s ILE 69 CO 0.22 0.40 1.25 -0.75 -0.10 0.00 0.00 174.94 175.96 3hja s LYS 70 N 1.07 4.23 -0.16 2.79 2.20 -0.69 -1.32 119.74 127.87 3hja s LYS 70 Ca -0.06 2.06 -0.02 0.00 -0.36 0.00 0.00 55.97 57.60 3hja s LYS 70 Cb -0.15 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 3hja s LYS 70 CO -0.02 -0.24 -0.09 0.42 -0.36 0.00 0.00 175.35 175.06 3hja s ILE 71 N -1.23 3.34 0.13 5.43 -1.09 -0.37 -0.43 121.20 126.99 3hja s ILE 71 Ca 0.52 -0.55 0.10 0.00 -2.23 0.00 0.00 60.65 58.50 3hja s ILE 71 Cb -0.36 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3hja s ILE 71 CO 0.47 0.50 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.81 3hja s ILE 72 N 0.59 2.46 -0.54 2.92 1.01 0.66 -4.63 121.20 123.66 3hja s ILE 72 Ca -0.06 -1.71 0.06 0.00 0.00 0.00 0.00 60.65 58.94 3hja s ILE 72 Cb -0.15 -2.11 0.22 0.00 0.01 0.00 0.00 42.46 40.42 3hja s ILE 72 CO 0.03 0.07 0.55 0.00 0.00 0.00 0.00 174.94 175.59 3hja n ALA 73 N 0.79 3.26 -4.04 9.38 0.00 -1.26 -1.80 120.51 126.84 3hja n ALA 73 Ca -0.17 -4.03 -0.33 0.00 0.00 0.00 0.00 53.44 48.91 3hja n ALA 73 Cb 0.53 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.95 3hja n ALA 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hja s GLU 74 N -1.43 2.88 0.20 0.00 2.56 -1.24 -4.96 118.70 116.72 3hja s GLU 74 Ca 0.34 -0.91 -0.03 0.00 0.00 0.00 0.00 54.97 54.37 3hja s GLU 74 Cb 0.09 -2.69 0.13 0.00 2.00 0.00 0.00 34.13 33.66 3hja s GLU 74 CO -0.11 -0.28 1.51 -0.09 -0.56 0.00 0.00 175.26 175.73 3hja h ARG 75 N 7.93 0.54 -4.79 4.30 2.43 -1.98 -3.42 114.38 119.39 3hja h ARG 75 Ca -0.40 -0.34 -0.68 0.00 -0.81 0.00 0.00 59.98 57.75 3hja h ARG 75 Cb 1.12 0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 30.52 3hja h ARG 75 CO 0.60 0.94 -0.34 0.34 -1.51 0.00 0.00 179.97 180.00 3hja s ASP 76 N -6.91 6.14 0.57 -3.80 -1.08 -1.26 -4.97 116.67 105.35 3hja s ASP 76 Ca -0.07 -0.50 0.30 0.00 -0.52 0.00 0.00 52.55 51.76 3hja s ASP 76 Cb 0.11 -2.18 1.73 0.00 -1.46 0.00 0.00 42.92 41.12 3hja s ASP 76 CO 0.84 -0.39 2.19 1.55 0.52 0.00 0.00 175.17 179.88 3hja h PRO 77 N 8.56 0.00 -0.04 4.34 0.13 -1.89 -2.13 132.00 140.97 3hja h PRO 77 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3hja h PRO 77 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hja h PRO 77 CO 0.71 0.05 0.07 1.57 -0.23 0.00 0.00 178.00 180.17 3hja h LYS 78 N 0.00 0.00 -0.01 0.86 2.10 -1.91 -1.33 116.57 116.28 3hja h LYS 78 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hja h LYS 78 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3hja h LYS 78 CO 0.01 0.00 -0.09 0.09 -2.00 0.00 0.00 179.45 177.46 3hja n ASN 79 N -3.53 1.05 -4.76 7.07 3.02 -0.80 -3.92 115.26 113.38 3hja n ASN 79 Ca -0.02 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 53.00 3hja n ASN 79 Cb 0.16 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 3hja n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hja s LEU 80 N -2.21 4.47 -0.35 3.41 1.43 -0.50 -4.93 118.68 120.00 3hja s LEU 80 Ca 0.34 2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 55.74 3hja s LEU 80 Cb 0.20 -3.70 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 3hja s LEU 80 CO 0.41 -0.29 2.91 -0.81 0.23 0.00 0.00 176.35 178.81 3hja n PRO 81 N 0.93 2.28 -0.16 1.29 -0.04 -1.26 -4.53 135.00 133.51 3hja n PRO 81 Ca -0.00 -2.01 -0.10 0.00 -0.04 0.00 0.00 63.50 61.36 3hja n PRO 81 Cb 0.45 -2.08 0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3hja n PRO 81 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hja h TRP 82 N 2.91 1.09 -0.09 0.54 -0.00 -1.86 -2.04 115.95 116.51 3hja h TRP 82 Ca 0.34 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 3hja h TRP 82 Cb 0.90 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 29.79 3hja h TRP 82 CO 1.49 1.03 0.05 0.00 -0.00 0.00 0.00 178.44 181.02 3hja h ALA 83 N 0.97 0.12 -0.81 1.49 0.00 -1.31 -1.27 119.26 118.45 3hja h ALA 83 Ca 0.13 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hja h ALA 83 Cb 0.69 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3hja h ALA 83 CO 0.05 -0.35 0.53 -0.22 0.00 0.00 0.00 179.25 179.27 3hja h LYS 84 N 0.06 0.85 -0.00 0.00 3.64 -1.84 -1.68 116.57 117.61 3hja h LYS 84 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hja h LYS 84 Cb 0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3hja h LYS 84 CO -0.01 0.56 -0.16 1.28 -2.27 0.00 0.00 179.45 178.86 3hja n LEU 85 N -4.49 0.40 -0.73 5.20 4.77 -0.78 -4.94 117.00 116.43 3hja n LEU 85 Ca 0.12 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3hja n LEU 85 Cb 0.22 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3hja n LEU 85 CO 0.33 0.08 -0.08 0.61 -1.33 0.00 0.00 177.39 177.00 3hja n GLY 86 N 1.36 0.30 3.70 -0.72 0.00 -0.63 -4.97 105.19 104.23 3hja n GLY 86 Ca 0.11 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3hja n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 87 N -2.33 2.89 -0.13 -0.61 -1.09 -0.57 -4.68 121.20 114.68 3hja s ILE 87 Ca 0.00 0.47 -0.20 0.00 -2.23 0.00 0.00 60.65 58.69 3hja s ILE 87 Cb 0.00 -3.30 -0.25 0.00 -1.58 0.00 0.00 42.46 37.33 3hja s ILE 87 CO 0.00 0.01 0.53 0.44 -1.23 0.00 0.00 174.94 174.69 3hja h ASP 88 N 7.83 0.23 -3.30 3.58 3.32 -1.40 -2.26 116.42 124.43 3hja h ASP 88 Ca -0.43 -0.80 -0.45 0.00 0.02 0.00 0.00 57.03 55.37 3hja h ASP 88 Cb 1.20 -0.07 -0.36 0.00 0.22 0.00 0.00 39.33 40.31 3hja h ASP 88 CO 0.92 1.47 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.45 3hja s VAL 89 N -2.40 0.61 -0.18 -1.35 1.01 -0.94 -1.27 120.40 115.87 3hja s VAL 89 Ca -0.22 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3hja s VAL 89 Cb 0.03 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 3hja s VAL 89 CO 0.71 0.28 0.20 -0.69 0.00 0.00 0.00 175.10 175.61 3hja s VAL 90 N 1.57 5.36 -0.32 2.92 1.01 0.11 -1.46 120.40 129.59 3hja s VAL 90 Ca -0.00 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 3hja s VAL 90 Cb -0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hja s VAL 90 CO -0.04 0.41 0.61 -0.63 0.00 0.00 0.00 175.10 175.45 3hja s ILE 91 N 0.43 4.94 -0.82 2.22 -1.09 0.18 -0.79 121.20 126.26 3hja s ILE 91 Ca 0.12 0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 59.10 3hja s ILE 91 Cb -0.12 -4.01 0.20 0.00 -1.58 0.00 0.00 42.46 36.95 3hja s ILE 91 CO 0.01 -0.19 0.82 -0.70 -1.23 0.00 0.00 174.94 173.65 3hja s GLU 92 N 2.60 3.56 -0.21 2.79 2.56 0.71 0.10 118.70 130.80 3hja s GLU 92 Ca 0.24 -2.26 0.12 0.00 0.00 0.00 0.00 54.97 53.07 3hja s GLU 92 Cb -0.15 -4.51 0.43 0.00 2.00 0.00 0.00 34.13 31.91 3hja s GLU 92 CO 0.13 -1.39 1.20 -1.13 -0.56 0.00 0.00 175.26 173.51 3hja n SER 93 N 4.58 2.37 0.17 -1.70 3.41 0.88 -1.98 113.62 121.35 3hja n SER 93 Ca 0.14 -3.63 0.09 0.00 -0.26 0.00 0.00 58.87 55.20 3hja n SER 93 Cb 0.47 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 64.05 3hja n SER 93 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hja h THR 94 N 1.98 0.21 0.00 6.66 1.35 -1.74 -3.42 112.91 117.94 3hja h THR 94 Ca 0.06 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3hja h THR 94 Cb 1.22 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3hja h THR 94 CO 0.19 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3hja n GLY 95 N 1.16 2.92 0.54 5.82 0.00 -1.26 -4.88 105.19 109.48 3hja n GLY 95 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3hja n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hja n VAL 96 N -2.00 0.46 -2.47 1.61 0.24 -1.26 -4.61 118.33 110.31 3hja n VAL 96 Ca 0.00 -0.73 -0.22 0.00 -2.04 0.00 0.00 64.34 61.35 3hja n VAL 96 Cb 0.00 0.90 0.01 0.00 -1.47 0.00 0.00 33.84 33.28 3hja n VAL 96 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hja n PHE 97 N 0.58 2.79 1.70 6.34 3.72 -1.26 -4.84 117.46 126.49 3hja n PHE 97 Ca 0.09 -2.89 0.12 0.00 -0.05 0.00 0.00 57.45 54.72 3hja n PHE 97 Cb 0.35 -0.18 0.60 0.00 -0.94 0.00 0.00 39.48 39.31 3hja n PHE 97 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hja n SER 98 N -0.44 0.73 -4.81 4.37 3.41 -1.26 -2.93 113.62 112.70 3hja n SER 98 Ca 0.33 -1.40 -0.26 0.00 -0.26 0.00 0.00 58.87 57.27 3hja n SER 98 Cb 0.74 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 3hja n SER 98 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hja s SER 99 N -1.77 5.60 0.24 4.04 0.01 -1.26 -0.54 113.70 120.02 3hja s SER 99 Ca 0.36 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.44 3hja s SER 99 Cb 0.18 -1.49 0.24 0.00 0.21 0.00 0.00 66.02 65.16 3hja s SER 99 CO 0.29 0.06 1.90 0.00 0.41 0.00 0.00 173.24 175.91 3hja h ALA 100 N 2.34 1.16 -2.89 1.44 0.00 -1.92 -2.03 119.26 117.37 3hja h ALA 100 Ca -0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3hja h ALA 100 Cb 1.20 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 3hja h ALA 100 CO 0.64 0.52 0.01 0.95 0.00 0.00 0.00 179.25 181.37 3hja s THR 101 N -6.12 0.01 0.03 0.00 -4.23 -1.26 -1.77 115.64 102.29 3hja s THR 101 Ca -0.13 -1.17 -0.28 0.00 -1.18 0.00 0.00 61.69 58.93 3hja s THR 101 Cb 0.17 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 72.08 3hja s THR 101 CO 0.80 -0.03 1.23 -0.94 -0.54 0.00 0.00 174.62 175.15 3hja s SER 102 N -2.96 -0.01 0.00 3.99 1.04 -1.17 -4.75 113.70 109.84 3hja s SER 102 Ca 0.17 -0.28 0.18 0.00 0.48 0.00 0.00 55.95 56.49 3hja s SER 102 Cb -0.02 0.22 1.05 0.00 0.10 0.00 0.00 66.02 67.37 3hja s SER 102 CO 0.06 -0.44 1.47 -0.90 0.98 0.00 0.00 173.24 174.41 3hja n ASP 103 N -0.97 0.00 -0.11 7.02 5.68 -1.26 -1.73 116.55 125.18 3hja n ASP 103 Ca -0.00 -0.50 0.06 0.00 -0.50 0.00 0.00 54.79 53.85 3hja n ASP 103 Cb 0.60 -0.03 0.08 0.00 -1.14 0.00 0.00 41.12 40.63 3hja n ASP 103 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hja n LYS 104 N -1.03 1.43 0.00 0.11 5.02 -1.26 -5.12 118.16 117.31 3hja n LYS 104 Ca 0.13 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3hja n LYS 104 Cb 0.07 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3hja n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hja n GLY 105 N -0.98 0.38 3.84 0.72 0.00 -0.71 -4.86 105.19 103.58 3hja n GLY 105 Ca 0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 3hja n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hja s GLY 106 N -0.75 0.00 0.53 -0.02 0.00 -1.26 -3.03 107.32 102.79 3hja s GLY 106 Ca 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 44.72 44.75 3hja s GLY 106 CO 0.00 1.65 2.16 0.10 0.00 0.00 0.00 173.10 177.01 3hja h TYR 107 N 2.00 0.00 0.00 1.90 -0.00 -1.24 -1.67 116.97 117.96 3hja h TYR 107 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3hja h TYR 107 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 3hja h TYR 107 CO 1.06 0.03 0.00 -0.07 -0.00 0.00 0.00 178.16 179.18 3hja h LEU 108 N 0.00 0.00 -1.32 0.10 3.38 -1.59 -2.85 115.31 113.02 3hja h LEU 108 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3hja h LEU 108 Cb 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3hja h LEU 108 CO 0.00 0.00 0.56 0.44 0.09 0.00 0.00 178.44 179.54 3hja h ASP 109 N 0.00 0.63 -0.81 -0.43 3.32 -1.46 0.31 116.42 117.98 3hja h ASP 109 Ca 0.00 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.17 3hja h ASP 109 Cb 0.52 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 3hja h ASP 109 CO 0.00 0.32 0.47 0.45 -1.72 0.00 0.00 179.24 178.76 3hja h HIS 110 N 0.67 0.86 -0.01 4.55 3.86 -1.68 -1.19 115.15 122.21 3hja h HIS 110 Ca 0.44 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3hja h HIS 110 Cb 0.71 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3hja h HIS 110 CO -0.00 0.38 -0.50 1.33 0.86 0.00 0.00 177.93 180.00 3hja n VAL 111 N -4.72 0.00 0.00 2.45 0.24 -0.64 -0.96 118.33 114.70 3hja n VAL 111 Ca 0.12 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3hja n VAL 111 Cb 0.23 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 3hja n VAL 111 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hja n ASN 112 N -0.44 0.00 -0.08 -1.34 3.02 0.99 -4.51 115.26 112.90 3hja n ASN 112 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.48 3hja n ASN 112 Cb 0.36 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.47 3hja n ASN 112 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3hja h HIS 113 N 0.00 0.77 0.00 3.10 3.86 -1.76 -3.19 115.15 117.93 3hja h HIS 113 Ca 0.00 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 58.87 3hja h HIS 113 Cb 0.00 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3hja h HIS 113 CO 0.00 0.98 -0.44 0.00 0.86 0.00 0.00 177.93 179.33 3hja h ALA 114 N 0.65 1.22 0.00 2.45 0.00 -1.33 -3.48 119.26 118.78 3hja h ALA 114 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hja h ALA 114 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hja h ALA 114 CO 0.07 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3hja n GLY 115 N -0.19 0.60 3.78 0.00 0.00 -0.91 -1.44 105.19 107.03 3hja n GLY 115 Ca -0.02 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3hja n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja s ALA 116 N -2.00 2.49 0.13 4.61 0.00 -0.13 -3.62 121.76 123.24 3hja s ALA 116 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.29 3hja s ALA 116 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 3hja s ALA 116 CO 0.00 -1.29 1.40 0.87 0.00 0.00 0.00 175.76 176.74 3hja h LYS 117 N -0.20 0.79 -3.51 0.00 1.79 -1.40 -3.39 116.57 110.65 3hja h LYS 117 Ca -0.46 -0.54 -0.08 0.00 -2.18 0.00 0.00 60.65 57.40 3hja h LYS 117 Cb 1.24 0.08 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 3hja h LYS 117 CO 0.54 1.16 -0.23 0.15 -1.08 0.00 0.00 179.45 179.99 3hja s LYS 118 N -4.01 0.91 -0.03 3.15 1.02 -0.40 -4.73 119.74 115.66 3hja s LYS 118 Ca -0.10 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3hja s LYS 118 Cb 0.10 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.81 3hja s LYS 118 CO 0.88 -0.32 -0.05 0.54 -0.92 0.00 0.00 175.35 175.49 3hja s VAL 119 N -3.43 0.50 -0.28 3.17 0.11 0.35 -0.71 120.40 120.11 3hja s VAL 119 Ca 0.01 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 58.81 3hja s VAL 119 Cb 0.02 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3hja s VAL 119 CO -0.09 0.19 0.15 -0.63 -3.33 0.00 0.00 175.10 171.39 3hja s ILE 120 N 0.56 4.80 -0.20 7.04 1.01 0.03 -1.45 121.20 132.97 3hja s ILE 120 Ca -0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 3hja s ILE 120 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3hja s ILE 120 CO -0.00 0.21 0.72 -0.22 0.00 0.00 0.00 174.94 175.65 3hja s LEU 121 N 1.67 4.13 -0.32 2.97 2.96 0.11 -0.21 118.68 129.99 3hja s LEU 121 Ca 0.06 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3hja s LEU 121 Cb -0.16 -3.04 0.21 0.00 0.50 0.00 0.00 46.19 43.71 3hja s LEU 121 CO 0.07 -0.36 2.03 0.35 -1.32 0.00 0.00 176.35 177.12 3hja n THR 122 N 4.86 2.79 -3.54 3.68 -2.24 -0.84 -2.18 114.28 116.82 3hja n THR 122 Ca 0.02 -1.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.02 3hja n THR 122 Cb 0.49 -1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 3hja n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hja s VAL 123 N -2.31 0.00 0.43 2.28 0.11 -1.23 -4.93 120.40 114.74 3hja s VAL 123 Ca 0.31 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 3hja s VAL 123 Cb 0.25 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 3hja s VAL 123 CO -0.01 0.00 1.44 -0.81 -3.33 0.00 0.00 175.10 172.39 3hja n PRO 124 N 0.34 2.35 -2.34 1.54 -0.04 -1.24 -4.49 135.00 131.11 3hja n PRO 124 Ca -0.11 0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 63.81 3hja n PRO 124 Cb 0.59 -2.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 3hja n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hja s ALA 125 N -1.17 3.11 0.31 0.55 0.00 -1.26 -4.94 121.76 118.36 3hja s ALA 125 Ca 0.59 0.91 0.10 0.00 0.00 0.00 0.00 51.96 53.55 3hja s ALA 125 Cb -0.46 -3.36 0.52 0.00 0.00 0.00 0.00 23.12 19.82 3hja s ALA 125 CO 0.59 -0.48 1.72 0.87 0.00 0.00 0.00 175.76 178.46 3hja h LYS 126 N 2.52 0.09 0.00 0.00 6.56 -1.19 -3.44 116.57 121.11 3hja h LYS 126 Ca -0.49 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 3hja h LYS 126 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3hja h LYS 126 CO 0.62 0.54 0.00 -0.40 -2.06 0.00 0.00 179.45 178.15 3hja n ASP 127 N -3.99 0.03 -4.79 0.86 5.68 -1.26 -5.06 116.55 108.02 3hja n ASP 127 Ca -0.02 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.91 3hja n ASP 127 Cb 0.49 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 3hja n ASP 127 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3hja s GLU 128 N 3.14 3.94 0.01 0.11 2.12 -1.26 -5.07 118.70 121.70 3hja s GLU 128 Ca 0.00 -0.06 -0.08 0.00 0.36 0.00 0.00 54.97 55.19 3hja s GLU 128 Cb 0.00 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3hja s GLU 128 CO 0.00 0.47 0.16 -1.50 -0.54 0.00 0.00 175.26 173.86 3hja s ILE 129 N -0.19 0.09 0.08 -3.70 2.07 -1.26 -5.03 121.20 113.27 3hja s ILE 129 Ca 0.14 -0.75 -0.33 0.00 -1.41 0.00 0.00 60.65 58.30 3hja s ILE 129 Cb -0.12 -0.59 -0.13 0.00 0.13 0.00 0.00 42.46 41.76 3hja s ILE 129 CO 0.03 -0.41 1.73 1.17 -1.91 0.00 0.00 174.94 175.54 3hja n LYS 130 N 1.22 2.32 -5.17 3.50 3.00 -1.26 -4.83 118.16 116.94 3hja n LYS 130 Ca -0.22 0.84 -0.31 0.00 -0.00 0.00 0.00 58.31 58.62 3hja n LYS 130 Cb 0.56 -2.66 -0.17 0.00 0.00 0.00 0.00 35.03 32.76 3hja n LYS 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hja s THR 131 N 2.21 1.97 -0.06 3.15 2.01 -1.26 -0.92 115.64 122.74 3hja s THR 131 Ca 0.83 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.89 3hja s THR 131 Cb -0.64 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3hja s THR 131 CO 0.41 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.07 3hja s ILE 132 N 0.28 1.57 -0.24 1.82 -1.09 -0.15 -4.80 121.20 118.59 3hja s ILE 132 Ca -0.16 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 3hja s ILE 132 Cb -0.17 -1.37 0.05 0.00 -1.58 0.00 0.00 42.46 39.40 3hja s ILE 132 CO 0.08 0.45 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.44 3hja s VAL 133 N 0.23 1.95 0.44 2.92 1.01 -1.26 -4.19 120.40 121.50 3hja s VAL 133 Ca -0.10 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 3hja s VAL 133 Cb -0.14 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 3hja s VAL 133 CO 0.04 0.02 1.37 -0.76 0.00 0.00 0.00 175.10 175.78 3hja s LEU 134 N 1.22 4.14 0.00 3.92 1.43 -1.26 -1.49 118.68 126.63 3hja s LEU 134 Ca -0.06 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3hja s LEU 134 Cb -0.19 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3hja s LEU 134 CO -0.06 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.06 3hja n GLY 135 N 0.61 1.78 1.06 -3.19 0.00 -1.26 -4.83 105.19 99.36 3hja n GLY 135 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hja n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hja n VAL 136 N -2.00 0.91 -2.44 1.61 0.31 -0.56 -4.89 118.33 111.28 3hja n VAL 136 Ca 0.00 0.30 -0.15 0.00 -0.01 0.00 0.00 64.34 64.49 3hja n VAL 136 Cb 0.00 -1.55 0.03 0.00 -0.91 0.00 0.00 33.84 31.41 3hja n VAL 136 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hja n ASN 137 N -3.37 3.36 -0.34 4.52 6.94 -0.97 -4.85 115.26 120.54 3hja n ASN 137 Ca 0.00 -3.04 0.22 0.00 -0.02 0.00 0.00 54.58 51.74 3hja n ASN 137 Cb 0.12 -0.43 0.47 0.00 -2.36 0.00 0.00 39.78 37.58 3hja n ASN 137 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3hja h ASP 138 N 2.48 0.53 -0.25 0.53 3.32 -1.91 -0.50 116.42 120.62 3hja h ASP 138 Ca 0.13 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.38 3hja h ASP 138 Cb 1.32 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3hja h ASP 138 CO 0.55 0.05 0.27 0.45 -1.72 0.00 0.00 179.24 178.84 3hja h HIS 139 N 0.44 0.00 0.00 4.55 -0.00 -1.98 -1.52 115.15 116.65 3hja h HIS 139 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.02 3hja h HIS 139 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.90 3hja h HIS 139 CO -0.01 0.00 0.00 -0.25 -0.00 0.00 0.00 177.93 177.67 3hja n ASP 140 N -3.80 0.40 -4.68 2.45 8.00 -0.19 -4.72 116.55 114.01 3hja n ASP 140 Ca 0.03 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 3hja n ASP 140 Cb 0.41 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 3hja n ASP 140 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hja s ILE 141 N -3.13 4.01 0.06 0.53 1.01 -0.57 -5.03 121.20 118.07 3hja s ILE 141 Ca 0.08 1.35 -0.00 0.00 0.00 0.00 0.00 60.65 62.07 3hja s ILE 141 Cb 0.12 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3hja s ILE 141 CO 0.42 -0.02 -0.04 0.54 0.00 0.00 0.00 174.94 175.84 3hja s ASN 142 N 1.76 0.62 0.00 3.58 2.20 -1.26 -5.05 114.94 116.79 3hja s ASN 142 Ca 0.60 -0.96 0.10 0.00 -0.94 0.00 0.00 52.86 51.65 3hja s ASN 142 Cb -0.27 0.17 0.42 0.00 -2.00 0.00 0.00 41.25 39.56 3hja s ASN 142 CO 0.23 -0.55 1.30 -1.54 -2.94 0.00 0.00 177.10 173.60 3hja n SER 143 N 0.19 0.00 -0.08 3.54 3.41 -1.26 -2.22 113.62 117.20 3hja n SER 143 Ca -0.14 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3hja n SER 143 Cb 0.60 -0.48 0.48 0.00 -0.26 0.00 0.00 64.21 64.56 3hja n SER 143 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hja n ASP 144 N -1.48 0.46 -4.77 4.04 8.00 -1.26 -4.93 116.55 116.61 3hja n ASP 144 Ca 0.03 -0.33 -0.41 0.00 0.71 0.00 0.00 54.79 54.79 3hja n ASP 144 Cb 0.11 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3hja n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hja s LEU 145 N -2.72 4.41 -0.10 0.64 1.43 -0.94 -4.95 118.68 116.45 3hja s LEU 145 Ca 0.21 2.73 0.02 0.00 -1.03 0.00 0.00 54.13 56.05 3hja s LEU 145 Cb 0.19 -3.66 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 3hja s LEU 145 CO 0.55 -0.58 -0.08 0.29 0.23 0.00 0.00 176.35 176.76 3hja n LYS 146 N 0.74 0.58 -3.91 1.70 4.76 -1.26 -4.86 118.16 115.90 3hja n LYS 146 Ca 0.00 0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.32 3hja n LYS 146 Cb 0.42 -1.21 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 3hja n LYS 146 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hja s ALA 147 N -2.21 0.33 0.01 7.82 0.00 -1.26 -0.50 121.76 125.96 3hja s ALA 147 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3hja s ALA 147 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3hja s ALA 147 CO 0.25 -0.10 -0.03 0.08 0.00 0.00 0.00 175.76 175.96 3hja s VAL 148 N 1.10 0.17 -0.12 0.00 1.01 -0.53 -4.23 120.40 117.79 3hja s VAL 148 Ca -0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3hja s VAL 148 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3hja s VAL 148 CO -0.02 -0.27 0.04 -0.55 0.00 0.00 0.00 175.10 174.30 3hja s SER 149 N -0.90 5.52 -0.04 3.32 0.15 -0.10 0.07 113.70 121.72 3hja s SER 149 Ca -0.09 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.80 3hja s SER 149 Cb -0.06 -1.72 0.23 0.00 -1.71 0.00 0.00 66.02 62.75 3hja s SER 149 CO -0.00 0.32 1.02 -3.20 1.20 0.00 0.00 173.24 172.58 3hja n ASN 150 N 2.52 1.84 0.00 5.45 4.05 -0.92 -0.98 115.26 127.22 3hja n ASN 150 Ca -0.18 -2.15 0.00 0.00 0.45 0.00 0.00 54.58 52.70 3hja n ASN 150 Cb 0.53 -0.36 0.00 0.00 1.23 0.00 0.00 39.78 41.19 3hja n ASN 150 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hja n ALA 151 N 0.18 0.00 -2.66 5.20 0.00 -1.26 -4.79 120.51 117.18 3hja n ALA 151 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3hja n ALA 151 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 3hja n ALA 151 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hja s SER 152 N -4.00 5.27 0.24 0.00 1.04 -1.26 -3.56 113.70 111.43 3hja s SER 152 Ca 0.00 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 3hja s SER 152 Cb 0.00 -1.13 0.36 0.00 0.10 0.00 0.00 66.02 65.35 3hja s SER 152 CO 0.00 -0.18 1.81 0.00 0.98 0.00 0.00 173.24 175.85 3hja h THR 154 N 0.76 1.27 -0.56 0.00 2.02 -1.95 -1.31 112.91 113.14 3hja h THR 154 Ca 0.37 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 3hja h THR 154 Cb 0.32 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3hja h THR 154 CO -0.24 0.42 0.05 0.74 0.37 0.00 0.00 175.52 176.87 3hja h THR 155 N 0.92 1.25 0.00 3.16 2.02 -1.70 0.37 112.91 118.92 3hja h THR 155 Ca 0.16 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3hja h THR 155 Cb 0.60 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hja h THR 155 CO 0.04 0.37 -0.12 0.78 0.37 0.00 0.00 175.52 176.95 3hja h ASN 156 N 0.86 0.00 0.06 4.18 2.35 -0.87 0.15 115.58 122.31 3hja h ASN 156 Ca 0.17 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3hja h ASN 156 Cb 0.44 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3hja h ASN 156 CO 0.02 0.12 -0.45 0.00 -1.65 0.00 0.00 177.43 175.46 3hja h LEU 158 N -0.55 0.41 -0.58 0.00 5.85 -0.70 -3.33 115.31 116.41 3hja h LEU 158 Ca -0.07 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 3hja h LEU 158 Cb 1.30 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3hja h LEU 158 CO 0.09 1.03 0.33 0.00 -0.34 0.00 0.00 178.44 179.55 3hja h ALA 159 N 0.38 0.74 -0.70 1.25 0.00 -0.92 0.19 119.26 120.21 3hja h ALA 159 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hja h ALA 159 Cb 1.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3hja h ALA 159 CO 0.07 0.24 0.28 -1.35 0.00 0.00 0.00 179.25 178.50 3hja h PRO 160 N 0.79 1.02 -0.00 0.00 0.11 -1.76 0.27 132.00 132.42 3hja h PRO 160 Ca 0.21 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hja h PRO 160 Cb 0.02 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3hja h PRO 160 CO -0.04 0.83 -0.02 1.25 -0.21 0.00 0.00 178.00 179.81 3hja h LEU 161 N 1.00 -0.06 -0.78 2.35 5.85 -1.49 -2.45 115.31 119.73 3hja h LEU 161 Ca 0.23 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hja h LEU 161 Cb 0.18 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3hja h LEU 161 CO -0.02 -0.03 0.51 0.00 -0.34 0.00 0.00 178.44 178.55 3hja h ALA 162 N 0.96 0.99 0.04 1.25 0.00 -0.26 -1.91 119.26 120.32 3hja h ALA 162 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hja h ALA 162 Cb 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3hja h ALA 162 CO -0.02 0.41 -0.36 -0.22 0.00 0.00 0.00 179.25 179.06 3hja h LYS 163 N 1.06 -0.52 -0.02 0.00 3.64 -0.28 0.82 116.57 121.27 3hja h LYS 163 Ca 0.28 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3hja h LYS 163 Cb -0.11 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hja h LYS 163 CO -0.06 -0.35 0.01 0.28 -2.27 0.00 0.00 179.45 177.06 3hja h VAL 164 N -0.54 1.08 -0.61 2.00 2.07 -1.28 -1.19 116.25 117.77 3hja h VAL 164 Ca 0.05 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hja h VAL 164 Cb 0.61 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3hja h VAL 164 CO -0.26 0.06 0.34 -0.07 0.02 0.00 0.00 177.57 177.66 3hja h LEU 165 N -0.07 0.52 -0.47 2.57 3.38 -1.22 -1.00 115.31 119.01 3hja h LEU 165 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hja h LEU 165 Cb 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hja h LEU 165 CO -0.00 0.35 0.16 -0.74 0.09 0.00 0.00 178.44 178.30 3hja h HIS 166 N 0.65 0.75 -0.46 1.13 2.76 -0.64 0.10 115.15 119.45 3hja h HIS 166 Ca 0.27 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.26 3hja h HIS 166 Cb 0.13 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3hja h HIS 166 CO -0.08 0.65 -0.15 0.93 -1.30 0.00 0.00 177.93 177.99 3hja h GLU 167 N 0.63 0.86 0.06 5.26 5.08 -0.86 0.22 114.58 125.83 3hja h GLU 167 Ca 0.15 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 3hja h GLU 167 Cb 0.25 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hja h GLU 167 CO -0.01 0.95 -0.53 0.77 -1.00 0.00 0.00 179.01 179.20 3hja h SER 168 N 0.77 0.36 0.00 1.42 0.02 -1.12 -3.42 113.55 111.57 3hja h SER 168 Ca 0.12 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 3hja h SER 168 Cb 0.67 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3hja h SER 168 CO 0.05 1.21 -0.66 0.49 -1.14 0.00 0.00 176.83 176.78 3hja n PHE 169 N -4.30 0.00 -0.10 3.45 3.72 0.33 -5.01 117.46 115.54 3hja n PHE 169 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hja n PHE 169 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 3hja n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hja n GLY 170 N 1.83 -3.34 3.36 1.37 0.00 0.06 -2.51 105.19 105.96 3hja n GLY 170 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 3hja n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hja s ILE 171 N -1.28 3.56 -0.04 -0.61 1.01 -1.26 -0.84 121.20 121.74 3hja s ILE 171 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3hja s ILE 171 Cb 0.00 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 3hja s ILE 171 CO 0.00 0.43 0.06 -0.08 0.00 0.00 0.00 174.94 175.35 3hja h GLU 172 N 7.87 -0.03 -3.63 2.79 4.81 -1.36 -3.47 114.58 121.56 3hja h GLU 172 Ca -0.39 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 3hja h GLU 172 Cb 1.17 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 3hja h GLU 172 CO 0.60 -0.02 -0.24 -0.65 -0.73 0.00 0.00 179.01 177.97 3hja s GLN 173 N -1.41 0.94 0.05 1.92 -0.21 -1.22 -4.84 119.66 114.89 3hja s GLN 173 Ca -0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 55.36 54.32 3hja s GLN 173 Cb 0.00 0.40 0.05 0.00 1.00 0.00 0.00 33.01 34.45 3hja s GLN 173 CO 0.01 -0.33 0.48 0.20 -2.12 0.00 0.00 175.29 173.53 3hja s GLY 174 N -2.84 -0.37 0.05 3.09 0.00 -0.15 -0.53 107.32 106.58 3hja s GLY 174 Ca 0.04 0.46 0.06 0.00 0.00 0.00 0.00 44.72 45.28 3hja s GLY 174 CO -0.11 0.18 -0.16 1.08 0.00 0.00 0.00 173.10 174.09 3hja s LEU 175 N -2.03 2.21 0.14 0.66 1.43 0.31 -2.57 118.68 118.84 3hja s LEU 175 Ca -0.05 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3hja s LEU 175 Cb -0.01 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3hja s LEU 175 CO -0.03 0.03 -0.01 0.00 0.23 0.00 0.00 176.35 176.58 3hja s MET 176 N -1.37 0.99 -0.02 1.70 0.23 -0.48 -0.33 119.30 120.03 3hja s MET 176 Ca 0.02 -1.46 0.03 0.00 -1.03 0.00 0.00 55.69 53.26 3hja s MET 176 Cb -0.09 -0.18 -0.00 0.00 -1.53 0.00 0.00 34.83 33.03 3hja s MET 176 CO 0.02 -0.11 -0.11 0.99 -2.03 0.00 0.00 175.02 173.78 3hja s THR 177 N -3.70 0.92 -0.20 3.16 2.01 -0.76 -1.63 115.64 115.44 3hja s THR 177 Ca 0.20 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 3hja s THR 177 Cb 0.06 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3hja s THR 177 CO 0.01 0.27 0.05 0.28 -0.69 0.00 0.00 174.62 174.54 3hja s THR 178 N -0.02 4.52 -0.40 -0.82 -1.32 -0.31 -0.82 115.64 116.48 3hja s THR 178 Ca 0.00 -0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 60.18 3hja s THR 178 Cb -0.07 -3.06 0.01 0.00 -1.51 0.00 0.00 72.50 67.87 3hja s THR 178 CO 0.00 0.42 0.52 -0.69 -2.21 0.00 0.00 174.62 172.66 3hja s VAL 179 N 0.82 4.99 -0.03 5.08 1.01 -0.11 -0.11 120.40 132.05 3hja s VAL 179 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3hja s VAL 179 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3hja s VAL 179 CO 0.02 -0.39 -0.13 -2.28 0.00 0.00 0.00 175.10 172.33 3hja s HIS 180 N 2.43 1.29 0.67 5.22 5.04 0.32 -0.82 115.29 129.44 3hja s HIS 180 Ca 0.18 -0.34 -0.17 0.00 -1.54 0.00 0.00 55.06 53.18 3hja s HIS 180 Cb -0.16 -0.89 -0.02 0.00 0.04 0.00 0.00 32.58 31.55 3hja s HIS 180 CO 0.15 -0.13 0.88 0.00 -2.34 0.00 0.00 174.74 173.31 3hja n ALA 181 N 3.21 -0.31 -1.55 1.58 0.00 -1.14 -1.12 120.51 121.20 3hja n ALA 181 Ca -0.18 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 3hja n ALA 181 Cb 0.54 -2.06 0.04 0.00 0.00 0.00 0.00 19.45 17.96 3hja n ALA 181 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3hja s TYR 182 N -1.72 2.87 0.37 0.00 -0.85 -0.66 -4.71 117.35 112.65 3hja s TYR 182 Ca 0.73 1.51 0.04 0.00 -0.52 0.00 0.00 57.07 58.82 3hja s TYR 182 Cb -0.37 -3.02 -0.04 0.00 0.38 0.00 0.00 41.96 38.91 3hja s TYR 182 CO 0.50 -1.38 0.12 0.95 -1.52 0.00 0.00 175.55 174.22 3hja s THR 183 N -2.64 0.67 -1.43 -3.49 -4.23 -1.26 -4.72 115.64 98.55 3hja s THR 183 Ca 0.63 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.27 3hja s THR 183 Cb -0.17 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.43 3hja s THR 183 CO 0.45 0.00 1.36 0.59 -0.54 0.00 0.00 174.62 176.48 3hja n ASN 184 N -1.08 0.00 0.00 3.99 3.02 -1.26 -1.73 115.26 118.20 3hja n ASN 184 Ca -0.04 0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.71 3hja n ASN 184 Cb 0.65 -0.29 0.46 0.00 -0.61 0.00 0.00 39.78 39.99 3hja n ASN 184 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hja n ASP 185 N -1.29 0.00 -2.14 6.41 2.03 -1.26 -4.86 116.55 115.44 3hja n ASP 185 Ca 0.06 0.43 -0.01 0.00 0.52 0.00 0.00 54.79 55.80 3hja n ASP 185 Cb 0.11 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 3hja n ASP 185 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hja n GLN 186 N -1.47 0.86 -4.92 -0.67 6.02 -0.71 -4.97 117.38 111.52 3hja n GLN 186 Ca 0.06 -0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.64 3hja n GLN 186 Cb 0.24 -0.02 -0.15 0.00 1.02 0.00 0.00 30.24 31.32 3hja n GLN 186 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hja s ARG 187 N -2.25 1.57 0.14 -1.09 1.81 -1.23 -5.03 118.95 112.87 3hja s ARG 187 Ca 0.03 -0.72 -0.11 0.00 -1.72 0.00 0.00 55.73 53.21 3hja s ARG 187 Cb -0.00 -1.53 -0.04 0.00 -0.45 0.00 0.00 34.95 32.93 3hja s ARG 187 CO 0.02 0.42 1.48 0.97 -0.68 0.00 0.00 175.30 177.51 3hja h ILE 188 N 4.63 1.27 -3.88 1.52 6.09 -1.92 0.74 117.51 125.96 3hja h ILE 188 Ca -0.39 -1.53 -0.25 0.00 -1.37 0.00 0.00 64.86 61.33 3hja h ILE 188 Cb 1.14 1.37 -0.15 0.00 0.47 0.00 0.00 36.82 39.65 3hja h ILE 188 CO 0.48 0.51 -0.67 -0.76 -3.07 0.00 0.00 178.15 174.63 3hja s LEU 189 N -8.92 2.23 -0.02 2.19 1.43 -1.26 -3.93 118.68 110.41 3hja s LEU 189 Ca -0.11 -1.11 -0.37 0.00 -1.03 0.00 0.00 54.13 51.50 3hja s LEU 189 Cb 0.11 -0.01 -0.16 0.00 0.03 0.00 0.00 46.19 46.16 3hja s LEU 189 CO 0.88 -0.55 1.50 0.47 0.23 0.00 0.00 176.35 178.87 3hja n ASP 190 N -0.14 2.04 -3.58 2.29 9.92 -1.26 -4.45 116.55 121.38 3hja n ASP 190 Ca -0.09 1.10 -0.16 0.00 -0.53 0.00 0.00 54.79 55.11 3hja n ASP 190 Cb 0.62 -1.20 -0.07 0.00 -0.64 0.00 0.00 41.12 39.83 3hja n ASP 190 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hja s LEU 191 N 1.53 -0.51 0.34 0.64 2.96 -0.25 -4.96 118.68 118.42 3hja s LEU 191 Ca 0.88 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 55.43 3hja s LEU 191 Cb -0.95 2.36 -0.13 0.00 0.50 0.00 0.00 46.19 47.96 3hja s LEU 191 CO 0.52 -0.46 0.82 -2.65 -1.32 0.00 0.00 176.35 173.25 3hja n PRO 192 N 1.59 0.96 -3.59 0.98 -0.02 -1.26 -4.48 135.00 129.19 3hja n PRO 192 Ca -0.17 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.49 3hja n PRO 192 Cb 0.56 -1.68 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 3hja n PRO 192 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hja s HIS 193 N -1.20 -0.62 0.38 6.00 2.46 -1.26 -4.90 115.29 116.15 3hja s HIS 193 Ca 0.61 1.22 0.31 0.00 0.47 0.00 0.00 55.06 57.67 3hja s HIS 193 Cb -0.68 0.33 1.56 0.00 -0.13 0.00 0.00 32.58 33.65 3hja s HIS 193 CO 0.58 -0.51 2.09 0.66 -2.47 0.00 0.00 174.74 175.10 3hja h SER 194 N 3.72 0.00 -3.51 9.88 4.64 -1.98 -3.36 113.55 122.95 3hja h SER 194 Ca -0.28 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.32 3hja h SER 194 Cb 1.15 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 3hja h SER 194 CO 0.30 0.09 -0.45 -0.62 -0.87 0.00 0.00 176.83 175.28 3hja s ASP 195 N -5.92 5.97 0.42 4.97 -1.08 -1.26 -4.96 116.67 114.81 3hja s ASP 195 Ca -0.02 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.30 3hja s ASP 195 Cb 0.12 -2.11 1.47 0.00 -1.46 0.00 0.00 42.92 40.94 3hja s ASP 195 CO 0.55 -0.45 1.88 -0.07 0.52 0.00 0.00 175.17 177.60 3hja h LEU 196 N 8.57 0.00 0.18 -1.34 3.38 -2.00 -0.96 115.31 123.14 3hja h LEU 196 Ca -0.26 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.41 3hja h LEU 196 Cb 1.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 3hja h LEU 196 CO 0.73 0.00 -1.42 0.03 0.09 0.00 0.00 178.44 177.86 3hja h ARG 197 N 0.00 0.38 0.00 1.13 3.08 -1.93 -3.30 114.38 113.74 3hja h ARG 197 Ca 0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.40 3hja h ARG 197 Cb 0.14 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hja h ARG 197 CO 0.00 1.31 0.00 0.54 -1.07 0.00 0.00 179.97 180.75 3hja n ARG 198 N -3.81 0.14 0.23 0.04 1.74 -0.67 -2.09 116.66 112.24 3hja n ARG 198 Ca -0.21 0.41 0.16 0.00 -0.77 0.00 0.00 57.85 57.45 3hja n ARG 198 Cb 0.99 -1.78 0.81 0.00 -1.02 0.00 0.00 32.46 31.46 3hja n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hja h ALA 199 N 2.27 1.00 -2.68 7.54 0.00 -1.29 -3.25 119.26 122.85 3hja h ALA 199 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3hja h ALA 199 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3hja h ALA 199 CO 0.00 0.00 -0.30 1.03 0.00 0.00 0.00 179.25 179.98 3hja s ARG 200 N -3.74 3.72 -0.53 0.00 1.81 -0.89 -1.10 118.95 118.22 3hja s ARG 200 Ca -0.02 0.14 -0.36 0.00 -1.72 0.00 0.00 55.73 53.78 3hja s ARG 200 Cb 0.09 -3.10 -0.17 0.00 -0.45 0.00 0.00 34.95 31.32 3hja s ARG 200 CO 0.34 0.65 1.97 0.00 -0.68 0.00 0.00 175.30 177.58 3hja n ALA 201 N 1.35 0.21 0.22 2.13 0.00 -1.26 -4.37 120.51 118.79 3hja n ALA 201 Ca -0.12 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3hja n ALA 201 Cb 0.53 -1.85 0.52 0.00 0.00 0.00 0.00 19.45 18.65 3hja n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hja h ALA 202 N 8.42 1.36 -0.18 0.00 0.00 -0.96 -2.68 119.26 125.22 3hja h ALA 202 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hja h ALA 202 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hja h ALA 202 CO 1.01 0.30 0.00 0.00 0.00 0.00 0.00 179.25 180.56 3hja n ALA 203 N -2.38 2.50 0.30 0.00 0.00 -1.26 -4.13 120.51 115.54 3hja n ALA 203 Ca -0.02 -0.63 0.05 0.00 0.00 0.00 0.00 53.44 52.84 3hja n ALA 203 Cb 0.32 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 3hja n ALA 203 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hja n LEU 204 N 0.67 0.30 -3.87 0.00 4.77 -1.01 -4.76 117.00 113.10 3hja n LEU 204 Ca 0.17 -0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 3hja n LEU 204 Cb 0.42 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3hja n LEU 204 CO 0.14 0.08 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.72 3hja s SER 205 N -2.42 0.12 -0.09 -1.43 0.01 -1.24 -5.06 113.70 103.59 3hja s SER 205 Ca 0.01 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 3hja s SER 205 Cb 0.07 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 3hja s SER 205 CO 0.42 -0.67 1.02 -0.63 0.41 0.00 0.00 173.24 173.79 3hja s ILE 206 N -3.48 4.76 -0.28 1.44 1.01 -1.26 -4.24 121.20 119.15 3hja s ILE 206 Ca 0.02 2.02 0.01 0.00 0.00 0.00 0.00 60.65 62.70 3hja s ILE 206 Cb 0.03 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.29 3hja s ILE 206 CO -0.09 0.01 0.02 -0.63 0.00 0.00 0.00 174.94 174.26 3hja s ILE 207 N 1.95 1.46 0.44 2.92 1.01 0.91 -4.93 121.20 124.97 3hja s ILE 207 Ca 0.49 -1.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 3hja s ILE 207 Cb -0.19 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 3hja s ILE 207 CO 0.19 -0.40 1.22 -2.84 0.00 0.00 0.00 174.94 173.11 3hja s PRO 208 N 1.37 3.81 -0.07 2.79 0.02 -1.26 -0.14 135.00 141.51 3hja s PRO 208 Ca 0.03 1.93 -0.22 0.00 0.02 0.00 0.00 61.00 62.76 3hja s PRO 208 Cb -0.18 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 31.85 3hja s PRO 208 CO -0.12 -0.56 0.51 -0.08 -0.33 0.00 0.00 177.00 176.42 3hja s THR 209 N -1.42 0.02 0.73 0.99 -1.32 -0.06 -4.75 115.64 109.83 3hja s THR 209 Ca 0.61 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 3hja s THR 209 Cb -0.33 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 3hja s THR 209 CO 0.40 -0.10 1.08 -0.94 -2.21 0.00 0.00 174.62 172.86 3hja s SER 210 N -0.91 4.90 -0.08 8.08 1.04 -1.26 -1.33 113.70 124.13 3hja s SER 210 Ca -0.09 1.78 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 3hja s SER 210 Cb -0.03 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3hja s SER 210 CO 0.06 -1.77 0.26 0.28 0.98 0.00 0.00 173.24 173.05 3hja s THR 211 N -2.87 0.01 -2.20 2.02 -1.32 -1.26 -4.73 115.64 105.30 3hja s THR 211 Ca 0.61 -0.11 0.19 0.00 -1.21 0.00 0.00 61.69 61.16 3hja s THR 211 Cb -0.16 -0.41 0.44 0.00 -1.51 0.00 0.00 72.50 70.86 3hja s THR 211 CO 0.53 -0.06 1.43 0.61 -2.21 0.00 0.00 174.62 174.92 3hja n GLY 212 N 2.62 1.13 0.21 6.08 0.00 -1.26 -4.65 105.19 109.30 3hja n GLY 212 Ca -0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 3hja n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hja h ALA 213 N 4.10 0.94 -0.08 4.61 0.00 -1.96 0.15 119.26 127.03 3hja h ALA 213 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 3hja h ALA 213 Cb 0.69 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hja h ALA 213 CO 0.00 0.63 -0.56 0.00 0.00 0.00 0.00 179.25 179.33 3hja h ALA 214 N 1.21 0.18 -0.76 0.00 0.00 -1.88 -3.18 119.26 114.83 3hja h ALA 214 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hja h ALA 214 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hja h ALA 214 CO 0.08 0.41 0.50 0.87 0.00 0.00 0.00 179.25 181.10 3hja h LYS 215 N 0.12 1.00 0.00 0.00 1.57 -1.50 -2.55 116.57 115.20 3hja h LYS 215 Ca -0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hja h LYS 215 Cb 1.21 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3hja h LYS 215 CO 0.11 0.66 -0.02 0.00 -0.57 0.00 0.00 179.45 179.64 3hja h ALA 216 N 1.53 1.22 -0.65 3.86 0.00 -0.98 -2.03 119.26 122.21 3hja h ALA 216 Ca 0.28 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.34 3hja h ALA 216 Cb -0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hja h ALA 216 CO -0.06 0.02 0.46 0.28 0.00 0.00 0.00 179.25 179.94 3hja h VAL 217 N 0.00 0.73 0.00 0.00 2.07 -1.43 0.27 116.25 117.88 3hja h VAL 217 Ca -0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3hja h VAL 217 Cb 0.07 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3hja h VAL 217 CO 0.00 0.02 -0.08 1.23 0.02 0.00 0.00 177.57 178.76 3hja h GLY 218 N 0.14 0.00 1.89 2.17 0.00 -1.55 0.10 103.07 105.82 3hja h GLY 218 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 3hja h GLY 218 CO -0.04 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.57 3hja h LEU 219 N 0.00 0.13 0.00 3.11 3.38 -1.13 -3.22 115.31 117.58 3hja h LEU 219 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hja h LEU 219 Cb 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hja h LEU 219 CO 0.01 0.47 -1.35 1.33 0.09 0.00 0.00 178.44 178.99 3hja n VAL 220 N -4.11 0.00 -3.69 1.22 0.24 -0.87 -4.72 118.33 106.41 3hja n VAL 220 Ca -0.01 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.75 3hja n VAL 220 Cb 0.40 0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 33.02 3hja n VAL 220 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hja s LEU 221 N -3.57 3.13 0.53 1.34 1.43 0.30 -4.51 118.68 117.34 3hja s LEU 221 Ca -0.03 -3.22 0.25 0.00 -1.03 0.00 0.00 54.13 50.09 3hja s LEU 221 Cb 0.07 -1.09 1.40 0.00 0.03 0.00 0.00 46.19 46.60 3hja s LEU 221 CO 0.46 -0.17 2.01 -0.65 0.23 0.00 0.00 176.35 178.23 3hja h PRO 222 N 5.90 0.00 0.00 1.29 0.11 -1.81 0.22 132.00 137.71 3hja h PRO 222 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hja h PRO 222 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3hja h PRO 222 CO 0.54 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.24 3hja h GLU 223 N 0.00 0.00 -0.28 1.05 5.08 -1.95 -2.52 114.58 115.97 3hja h GLU 223 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hja h GLU 223 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hja h GLU 223 CO -0.00 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3hja n LEU 224 N -3.27 3.10 -4.66 1.33 4.77 0.77 -4.91 117.00 114.13 3hja n LEU 224 Ca -0.02 -1.26 -0.47 0.00 -0.03 0.00 0.00 56.01 54.23 3hja n LEU 224 Cb 0.16 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3hja n LEU 224 CO 0.24 0.63 1.12 1.17 -1.33 0.00 0.00 177.39 179.23 3hja n LYS 225 N 1.29 1.98 -0.75 3.23 4.81 -0.95 -1.30 118.16 126.46 3hja n LYS 225 Ca 0.18 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 3hja n LYS 225 Cb 0.57 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.17 3hja n LYS 225 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 226 N 3.13 1.17 0.00 3.14 0.00 -1.26 -4.87 105.19 106.50 3hja n GLY 226 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3hja n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hja n LYS 227 N -2.00 0.27 -4.43 1.61 5.02 -0.42 -4.96 118.16 113.24 3hja n LYS 227 Ca 0.00 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.05 3hja n LYS 227 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 3hja n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hja s LEU 228 N -3.26 2.13 0.33 -0.35 1.43 -1.25 -0.98 118.68 116.72 3hja s LEU 228 Ca 0.05 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3hja s LEU 228 Cb 0.15 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.75 3hja s LEU 228 CO 0.86 0.07 0.53 0.21 0.23 0.00 0.00 176.35 178.25 3hja s ASN 229 N -0.89 0.50 0.00 2.29 3.84 -1.06 -3.32 114.94 116.29 3hja s ASN 229 Ca 0.03 -1.29 0.00 0.00 0.21 0.00 0.00 52.86 51.81 3hja s ASN 229 Cb -0.07 0.68 0.00 0.00 -0.55 0.00 0.00 41.25 41.31 3hja s ASN 229 CO 0.01 -1.33 0.00 0.61 -2.79 0.00 0.00 177.10 173.60 3hja n GLY 230 N -0.51 -1.33 3.21 1.21 0.00 -1.26 -1.38 105.19 105.12 3hja n GLY 230 Ca -0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3hja n GLY 230 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hja s THR 231 N -2.52 0.07 0.04 2.61 -1.32 -0.64 -4.35 115.64 109.52 3hja s THR 231 Ca 0.00 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 3hja s THR 231 Cb 0.00 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 3hja s THR 231 CO 0.00 -0.02 -0.19 -0.55 -2.21 0.00 0.00 174.62 171.65 3hja s SER 232 N -3.17 2.31 -0.20 8.08 0.15 -0.45 -1.16 113.70 119.26 3hja s SER 232 Ca 0.38 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.55 3hja s SER 232 Cb 0.07 -0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 3hja s SER 232 CO 0.12 0.15 -0.11 -0.04 1.20 0.00 0.00 173.24 174.56 3hja s MET 233 N -1.09 2.11 0.00 5.44 -1.94 0.85 -0.88 119.30 123.78 3hja s MET 233 Ca 0.06 -0.90 -0.26 0.00 -1.71 0.00 0.00 55.69 52.89 3hja s MET 233 Cb -0.08 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 3hja s MET 233 CO 0.01 -0.43 0.79 1.03 -0.01 0.00 0.00 175.02 176.41 3hja s ARG 234 N 1.36 4.50 0.22 2.03 1.81 0.80 -0.52 118.95 129.15 3hja s ARG 234 Ca -0.02 1.08 0.03 0.00 -1.72 0.00 0.00 55.73 55.11 3hja s ARG 234 Cb -0.16 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 3hja s ARG 234 CO -0.08 0.14 0.00 0.14 -0.68 0.00 0.00 175.30 174.83 3hja s VAL 235 N 0.43 0.93 -1.27 3.52 -7.23 -0.27 -0.06 120.40 116.44 3hja s VAL 235 Ca 0.41 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 3hja s VAL 235 Cb -0.20 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3hja s VAL 235 CO 0.23 -0.34 2.36 -2.65 -0.31 0.00 0.00 175.10 174.39 3hja n PRO 236 N -0.38 2.70 -4.44 4.82 -0.02 -1.26 -3.16 135.00 133.26 3hja n PRO 236 Ca -0.05 -2.13 -0.22 0.00 -2.02 0.00 0.00 63.50 59.08 3hja n PRO 236 Cb 0.64 -2.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 3hja n PRO 236 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hja s VAL 237 N 3.29 1.37 -0.10 -1.45 -7.23 -1.26 -5.02 120.40 110.00 3hja s VAL 237 Ca 0.54 -1.14 0.14 0.00 -1.81 0.00 0.00 61.98 59.71 3hja s VAL 237 Cb 0.15 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.89 3hja s VAL 237 CO -0.03 0.06 1.43 1.55 -0.31 0.00 0.00 175.10 177.80 3hja h PRO 238 N 4.79 0.00 -3.01 4.82 0.13 -1.87 -1.76 132.00 135.10 3hja h PRO 238 Ca -0.41 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 3hja h PRO 238 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 3hja h PRO 238 CO 0.43 0.57 -0.01 -0.08 -0.23 0.00 0.00 178.00 178.68 3hja s THR 239 N -2.95 0.04 0.00 1.56 -1.32 -1.26 -4.64 115.64 107.07 3hja s THR 239 Ca 0.03 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 3hja s THR 239 Cb 0.08 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3hja s THR 239 CO 0.75 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3hja n GLY 240 N 0.21 2.41 3.33 6.08 0.00 -1.26 -4.83 105.19 111.13 3hja n GLY 240 Ca -0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3hja n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hja s SER 241 N 0.00 0.07 -0.10 1.61 0.01 0.13 -2.86 113.70 112.56 3hja s SER 241 Ca 0.00 -0.96 -0.05 0.00 1.31 0.00 0.00 55.95 56.25 3hja s SER 241 Cb 0.00 0.43 0.05 0.00 0.21 0.00 0.00 66.02 66.71 3hja s SER 241 CO 0.00 -0.90 0.22 -0.51 0.41 0.00 0.00 173.24 172.47 3hja s ILE 242 N -4.00 -0.05 -0.05 1.44 2.07 -0.00 -1.32 121.20 119.29 3hja s ILE 242 Ca 0.20 0.16 -0.22 0.00 -1.41 0.00 0.00 60.65 59.38 3hja s ILE 242 Cb 0.04 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 3hja s ILE 242 CO 0.02 0.07 0.64 -0.69 -1.91 0.00 0.00 174.94 173.07 3hja s VAL 243 N 1.28 5.02 -0.40 4.00 1.01 0.14 -0.93 120.40 130.51 3hja s VAL 243 Ca -0.09 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.26 3hja s VAL 243 Cb -0.11 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.40 3hja s VAL 243 CO -0.08 0.31 0.12 -0.62 0.00 0.00 0.00 175.10 174.83 3hja s ASP 244 N 0.49 4.62 -0.25 3.32 2.15 -0.00 -0.35 116.67 126.64 3hja s ASP 244 Ca 0.34 -2.45 -0.11 0.00 0.43 0.00 0.00 52.55 50.76 3hja s ASP 244 Cb -0.18 -1.63 -0.05 0.00 -0.30 0.00 0.00 42.92 40.76 3hja s ASP 244 CO 0.17 -0.33 0.17 -0.22 -0.17 0.00 0.00 175.17 174.79 3hja s LEU 245 N 0.49 4.09 -0.25 -1.34 2.96 0.82 -1.83 118.68 123.62 3hja s LEU 245 Ca 0.13 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3hja s LEU 245 Cb -0.21 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 3hja s LEU 245 CO -0.05 0.03 0.02 -0.89 -1.32 0.00 0.00 176.35 174.14 3hja s THR 246 N 1.24 3.73 -0.01 3.68 2.01 0.55 -0.88 115.64 125.95 3hja s THR 246 Ca 0.08 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.57 3hja s THR 246 Cb -0.14 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 3hja s THR 246 CO 0.06 0.28 -0.08 0.54 -0.69 0.00 0.00 174.62 174.73 3hja s VAL 247 N 1.50 0.65 -0.41 3.82 0.11 0.38 -0.53 120.40 125.93 3hja s VAL 247 Ca 0.04 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.57 3hja s VAL 247 Cb -0.16 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 3hja s VAL 247 CO -0.00 0.20 0.60 -1.58 -3.33 0.00 0.00 175.10 170.99 3hja s GLN 248 N 0.00 3.41 0.27 1.54 2.00 0.32 -0.57 119.66 126.62 3hja s GLN 248 Ca 0.00 -0.28 -0.06 0.00 -2.00 0.00 0.00 55.36 53.03 3hja s GLN 248 Cb -0.05 -3.90 -0.06 0.00 0.80 0.00 0.00 33.01 29.80 3hja s GLN 248 CO -0.00 -0.88 0.54 -0.51 -0.50 0.00 0.00 175.29 173.94 3hja s LEU 249 N 2.68 4.09 0.40 3.68 1.43 0.36 -0.95 118.68 130.38 3hja s LEU 249 Ca 0.22 0.75 0.22 0.00 -1.03 0.00 0.00 54.13 54.28 3hja s LEU 249 Cb -0.15 -3.55 0.57 0.00 0.03 0.00 0.00 46.19 43.10 3hja s LEU 249 CO 0.17 -0.15 1.68 0.11 0.23 0.00 0.00 176.35 178.38 3hja h LYS 250 N 1.93 0.00 -6.38 1.70 1.57 -0.84 -3.42 116.57 111.14 3hja h LYS 250 Ca -0.47 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.75 3hja h LYS 250 Cb 1.18 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 3hja h LYS 250 CO 0.67 0.23 0.93 0.21 -0.57 0.00 0.00 179.45 180.93 3hja s LYS 251 N -3.34 3.38 0.38 3.15 2.20 -1.04 -4.90 119.74 119.56 3hja s LYS 251 Ca 0.03 -0.01 0.26 0.00 -0.36 0.00 0.00 55.97 55.90 3hja s LYS 251 Cb 0.08 -4.08 0.79 0.00 -1.51 0.00 0.00 37.83 33.11 3hja s LYS 251 CO 0.67 -1.80 1.75 0.87 -0.36 0.00 0.00 175.35 176.48 3hja h LYS 252 N 9.66 0.00 -0.63 4.03 1.79 -1.84 -2.96 116.57 126.62 3hja h LYS 252 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3hja h LYS 252 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3hja h LYS 252 CO 1.20 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 179.17 3hja n ASP 253 N -2.74 4.02 -4.73 0.86 5.75 -1.26 -2.94 116.55 115.50 3hja n ASP 253 Ca 0.03 -2.17 -0.42 0.00 -0.01 0.00 0.00 54.79 52.23 3hja n ASP 253 Cb 0.41 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3hja n ASP 253 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 3hja n VAL 254 N 1.22 1.99 -4.23 2.12 3.14 -1.12 -5.01 118.33 116.44 3hja n VAL 254 Ca 0.23 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.87 3hja n VAL 254 Cb 0.68 -1.73 -0.07 0.00 -1.06 0.00 0.00 33.84 31.66 3hja n VAL 254 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3hja s THR 255 N -1.09 2.90 0.37 1.55 -4.23 -1.26 -4.70 115.64 109.18 3hja s THR 255 Ca 0.55 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3hja s THR 255 Cb -0.53 -2.88 0.23 0.00 1.34 0.00 0.00 72.50 70.66 3hja s THR 255 CO 0.63 -0.22 1.99 0.07 -0.54 0.00 0.00 174.62 176.55 3hja h LYS 256 N 1.71 0.65 -0.29 3.99 2.10 -1.92 -1.65 116.57 121.17 3hja h LYS 256 Ca -0.43 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.02 3hja h LYS 256 Cb 1.25 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 3hja h LYS 256 CO 0.64 0.49 -0.36 0.93 -2.00 0.00 0.00 179.45 179.16 3hja h GLU 257 N 0.66 0.65 -0.20 0.07 3.07 -1.96 -0.83 114.58 116.04 3hja h GLU 257 Ca 0.17 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 3hja h GLU 257 Cb 0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3hja h GLU 257 CO -0.03 0.91 0.00 1.49 -1.40 0.00 0.00 179.01 179.99 3hja h GLU 258 N 0.55 0.35 -0.04 2.33 4.81 -1.88 -0.96 114.58 119.74 3hja h GLU 258 Ca 0.05 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hja h GLU 258 Cb 0.87 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3hja h GLU 258 CO 0.08 0.55 -0.13 0.82 -0.73 0.00 0.00 179.01 179.59 3hja h ILE 259 N 0.11 0.66 -0.39 2.32 2.04 -1.12 -1.99 117.51 119.14 3hja h ILE 259 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3hja h ILE 259 Cb 0.38 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3hja h ILE 259 CO 0.01 0.00 0.26 0.78 0.00 0.00 0.00 178.15 179.20 3hja h ASN 260 N -0.20 0.45 0.05 1.72 2.35 -1.11 -2.40 115.58 116.44 3hja h ASN 260 Ca 0.06 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3hja h ASN 260 Cb 0.28 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3hja h ASN 260 CO -0.16 0.32 -0.02 -1.28 -1.65 0.00 0.00 177.43 174.63 3hja h SER 261 N 0.53 -0.06 0.26 5.81 0.87 -0.59 0.34 113.55 120.69 3hja h SER 261 Ca 0.14 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 3hja h SER 261 Cb -0.05 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3hja h SER 261 CO -0.03 0.05 -0.50 -0.37 -0.53 0.00 0.00 176.83 175.45 3hja h VAL 262 N -0.17 1.34 -0.30 2.23 -1.51 -1.08 -1.25 116.25 115.52 3hja h VAL 262 Ca -0.01 -1.73 -0.15 0.00 -1.23 0.00 0.00 66.70 63.59 3hja h VAL 262 Cb 0.14 1.81 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3hja h VAL 262 CO 0.01 0.52 -0.38 -0.07 -1.23 0.00 0.00 177.57 176.42 3hja h LEU 263 N 0.22 0.85 -0.40 4.19 3.38 -1.33 0.33 115.31 122.56 3hja h LEU 263 Ca 0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3hja h LEU 263 Cb 0.96 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3hja h LEU 263 CO 0.08 1.18 0.17 -0.09 0.09 0.00 0.00 178.44 179.86 3hja h ARG 264 N 0.55 0.59 0.12 1.13 2.43 -0.85 -1.54 114.38 116.82 3hja h ARG 264 Ca 0.04 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hja h ARG 264 Cb 0.97 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3hja h ARG 264 CO 0.09 0.55 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.82 3hja h LYS 265 N 0.50 -0.17 -0.78 0.20 3.64 -1.12 -2.57 116.57 116.26 3hja h LYS 265 Ca 0.13 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.67 3hja h LYS 265 Cb 0.18 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3hja h LYS 265 CO -0.01 -0.11 0.52 0.00 -2.27 0.00 0.00 179.45 177.57 3hja h ALA 266 N 0.70 2.03 0.00 5.00 0.00 -0.82 -1.39 119.26 124.79 3hja h ALA 266 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hja h ALA 266 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hja h ALA 266 CO 0.02 -0.24 -0.02 0.66 0.00 0.00 0.00 179.25 179.67 3hja h SER 267 N 0.49 0.00 0.21 0.00 4.64 -0.86 -2.62 113.55 115.42 3hja h SER 267 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3hja h SER 267 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3hja h SER 267 CO -0.14 0.02 -0.75 -0.62 -0.87 0.00 0.00 176.83 174.47 3hja n GLU 268 N -3.15 0.09 -1.97 4.77 1.02 -0.53 -3.65 120.64 117.22 3hja n GLU 268 Ca -0.01 -0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 3hja n GLU 268 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3hja n GLU 268 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hja s THR 269 N -2.96 3.55 0.43 2.62 -4.23 -0.99 -4.79 115.64 109.28 3hja s THR 269 Ca 0.10 0.75 0.13 0.00 -1.18 0.00 0.00 61.69 61.50 3hja s THR 269 Cb 0.17 -3.27 0.18 0.00 1.34 0.00 0.00 72.50 70.91 3hja s THR 269 CO 0.77 -0.42 1.97 -0.65 -0.54 0.00 0.00 174.62 175.76 3hja h PRO 270 N 0.38 0.05 -0.11 3.99 0.11 -1.93 0.86 132.00 135.35 3hja h PRO 270 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3hja h PRO 270 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hja h PRO 270 CO 0.56 0.23 -0.26 0.93 -0.21 0.00 0.00 178.00 179.25 3hja h GLU 271 N 0.05 0.20 0.00 1.05 3.07 -1.93 -3.37 114.58 113.66 3hja h GLU 271 Ca 0.01 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3hja h GLU 271 Cb 0.34 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3hja h GLU 271 CO 0.02 0.46 -0.27 1.28 -1.40 0.00 0.00 179.01 179.10 3hja n LEU 272 N -4.17 0.00 -4.68 1.33 4.77 -1.09 -4.54 117.00 108.61 3hja n LEU 272 Ca -0.01 -0.31 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 3hja n LEU 272 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3hja n LEU 272 CO 0.39 0.00 1.07 1.17 -1.33 0.00 0.00 177.39 178.70 3hja n LYS 273 N -1.02 2.18 0.00 3.23 4.81 0.28 0.07 118.16 127.70 3hja n LYS 273 Ca 0.00 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3hja n LYS 273 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.58 3hja n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 274 N 2.26 2.91 0.45 3.14 0.00 -1.26 -4.77 105.19 107.93 3hja n GLY 274 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3hja n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hja n ILE 275 N -2.00 1.29 -3.76 -0.61 5.41 0.41 -4.08 119.36 116.01 3hja n ILE 275 Ca 0.00 0.12 -0.36 0.00 1.00 0.00 0.00 62.75 63.50 3hja n ILE 275 Cb 0.00 -1.98 -0.12 0.00 -0.71 0.00 0.00 39.64 36.83 3hja n ILE 275 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hja s LEU 276 N -7.41 3.65 0.40 1.39 2.96 0.11 -1.01 118.68 118.77 3hja s LEU 276 Ca -0.20 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3hja s LEU 276 Cb 0.04 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3hja s LEU 276 CO 0.28 -0.00 0.32 -0.83 -1.32 0.00 0.00 176.35 174.80 3hja s GLY 277 N 1.43 2.12 -0.10 7.98 0.00 0.23 -4.42 107.32 114.55 3hja s GLY 277 Ca 0.06 -1.89 -0.07 0.00 0.00 0.00 0.00 44.72 42.82 3hja s GLY 277 CO 0.05 -1.72 0.25 -0.47 0.00 0.00 0.00 173.10 171.21 3hja s TYR 278 N -2.47 -0.31 0.05 1.90 5.04 -1.26 -1.53 117.35 118.77 3hja s TYR 278 Ca 0.46 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 3hja s TYR 278 Cb -0.02 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 3hja s TYR 278 CO 0.27 -0.19 -0.05 -0.08 -1.34 0.00 0.00 175.55 174.16 3hja s THR 279 N 0.76 0.35 -0.09 4.34 -1.32 -0.40 -4.91 115.64 114.36 3hja s THR 279 Ca -0.05 -1.38 0.13 0.00 -1.21 0.00 0.00 61.69 59.18 3hja s THR 279 Cb -0.06 -0.94 0.20 0.00 -1.51 0.00 0.00 72.50 70.19 3hja s THR 279 CO -0.05 -0.67 1.10 -0.62 -2.21 0.00 0.00 174.62 172.16 3hja n GLU 280 N 0.87 1.61 -2.88 7.08 1.02 -1.26 0.08 120.64 127.15 3hja n GLU 280 Ca -0.19 -2.21 -0.40 0.00 -0.02 0.00 0.00 57.16 54.34 3hja n GLU 280 Cb 0.58 -1.32 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 3hja n GLU 280 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hja s ASP 281 N -2.30 7.50 -1.36 1.62 1.01 -1.26 -4.75 116.67 117.14 3hja s ASP 281 Ca 0.22 1.78 -0.17 0.00 0.71 0.00 0.00 52.55 55.10 3hja s ASP 281 Cb 0.20 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.64 3hja s ASP 281 CO 0.02 0.19 1.91 -0.81 0.21 0.00 0.00 175.17 176.69 3hja n PRO 282 N 1.56 3.07 -2.44 8.23 -0.04 -1.26 -4.91 135.00 139.21 3hja n PRO 282 Ca -0.04 -3.04 -0.24 0.00 -0.04 0.00 0.00 63.50 60.15 3hja n PRO 282 Cb 0.48 -3.43 0.08 0.00 -0.04 0.00 0.00 33.50 30.59 3hja n PRO 282 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3hja s ILE 283 N 3.89 2.32 0.31 0.52 -4.36 -1.26 -5.13 121.20 117.49 3hja s ILE 283 Ca 0.52 -0.48 0.03 0.00 -0.26 0.00 0.00 60.65 60.46 3hja s ILE 283 Cb 0.08 -2.85 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 3hja s ILE 283 CO 0.02 0.00 0.11 0.68 0.24 0.00 0.00 174.94 175.99 3hja s VAL 284 N -3.12 0.66 0.30 8.37 -7.23 -1.26 -5.06 120.40 113.07 3hja s VAL 284 Ca 0.62 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3hja s VAL 284 Cb -0.08 -2.61 0.28 0.00 0.56 0.00 0.00 36.38 34.53 3hja s VAL 284 CO 0.43 0.00 1.92 0.77 -0.31 0.00 0.00 175.10 177.91 3hja h SER 285 N 2.20 0.91 -0.27 4.85 4.64 -1.96 -1.18 113.55 122.74 3hja h SER 285 Ca -0.37 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.03 3hja h SER 285 Cb 1.25 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3hja h SER 285 CO 0.60 0.59 0.24 0.28 -0.87 0.00 0.00 176.83 177.67 3hja h SER 286 N 1.04 0.00 0.90 4.97 0.02 -1.97 -0.91 113.55 117.60 3hja h SER 286 Ca 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 3hja h SER 286 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hja h SER 286 CO -0.14 0.00 -0.14 0.44 -1.14 0.00 0.00 176.83 175.85 3hja h ASP 287 N 0.00 0.00 0.03 3.07 3.32 -1.62 -2.92 116.42 118.29 3hja h ASP 287 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hja h ASP 287 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3hja h ASP 287 CO -0.00 0.14 -0.08 2.30 -1.72 0.00 0.00 179.24 179.88 3hja n ILE 288 N -3.31 0.00 -1.68 0.35 -6.64 -0.35 -4.87 119.36 102.86 3hja n ILE 288 Ca 0.00 -0.28 -0.46 0.00 -1.77 0.00 0.00 62.75 60.24 3hja n ILE 288 Cb 0.37 0.72 -0.04 0.00 -1.44 0.00 0.00 39.64 39.25 3hja n ILE 288 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 3hja n LYS 289 N 0.24 2.32 -0.99 6.28 4.81 -1.11 -1.24 118.16 128.48 3hja n LYS 289 Ca 0.16 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 3hja n LYS 289 Cb 0.41 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3hja n LYS 289 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hja n GLY 290 N 3.97 0.58 3.73 3.14 0.00 -1.26 -5.02 105.19 110.33 3hja n GLY 290 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hja n GLY 290 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hja s ASN 291 N -2.23 7.42 0.00 1.61 3.84 -0.37 -4.96 114.94 120.24 3hja s ASN 291 Ca 0.00 1.90 0.28 0.00 0.21 0.00 0.00 52.86 55.25 3hja s ASN 291 Cb 0.00 -2.59 0.98 0.00 -0.55 0.00 0.00 41.25 39.09 3hja s ASN 291 CO 0.00 -0.12 1.70 -1.54 -2.79 0.00 0.00 177.10 174.35 3hja n SER 292 N 2.65 1.15 -4.77 -4.21 3.41 -1.26 -3.26 113.62 107.32 3hja n SER 292 Ca 0.02 -1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 57.14 3hja n SER 292 Cb 0.48 0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3hja n SER 292 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hja s HIS 293 N -2.25 2.62 0.21 7.33 3.76 -1.26 -4.54 115.29 121.16 3hja s HIS 293 Ca 0.32 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.86 3hja s HIS 293 Cb 0.20 -3.28 0.12 0.00 1.11 0.00 0.00 32.58 30.73 3hja s HIS 293 CO 0.42 -1.68 1.47 0.77 -0.85 0.00 0.00 174.74 174.88 3hja h SER 294 N 0.86 0.00 -2.85 1.40 0.02 -1.25 -3.40 113.55 108.33 3hja h SER 294 Ca -0.49 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3hja h SER 294 Cb 1.26 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.57 3hja h SER 294 CO 0.56 0.78 -0.17 -0.55 -1.14 0.00 0.00 176.83 176.31 3hja s SER 295 N -6.79 -0.73 -0.31 3.07 0.15 -0.79 -3.51 113.70 104.79 3hja s SER 295 Ca -0.00 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.89 3hja s SER 295 Cb 0.12 1.31 0.09 0.00 -1.71 0.00 0.00 66.02 65.83 3hja s SER 295 CO 0.79 -0.22 0.07 -0.63 1.20 0.00 0.00 173.24 174.45 3hja s ILE 296 N 1.89 1.24 0.19 6.45 1.09 0.32 0.73 121.20 133.11 3hja s ILE 296 Ca -0.08 -1.56 -0.31 0.00 -1.10 0.00 0.00 60.65 57.59 3hja s ILE 296 Cb -0.08 -1.88 -0.10 0.00 -1.06 0.00 0.00 42.46 39.33 3hja s ILE 296 CO -0.16 -0.59 1.57 -0.69 -0.10 0.00 0.00 174.94 174.96 3hja s VAL 297 N 1.45 2.55 -0.78 2.92 1.01 -0.58 -0.44 120.40 126.52 3hja s VAL 297 Ca 0.08 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 3hja s VAL 297 Cb -0.18 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.09 3hja s VAL 297 CO -0.19 0.04 0.89 -0.62 0.00 0.00 0.00 175.10 175.22 3hja s ASP 298 N 1.01 6.50 0.40 3.32 -1.08 -0.10 -1.27 116.67 125.43 3hja s ASP 298 Ca 0.69 -1.97 0.06 0.00 -0.52 0.00 0.00 52.55 50.81 3hja s ASP 298 Cb -0.44 -2.32 0.81 0.00 -1.46 0.00 0.00 42.92 39.51 3hja s ASP 298 CO 0.34 -0.97 2.04 1.23 0.52 0.00 0.00 175.17 178.33 3hja h GLY 299 N 9.63 0.66 2.00 2.66 0.00 -0.65 -1.99 103.07 115.37 3hja h GLY 299 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hja h GLY 299 CO 1.02 0.23 -0.10 1.41 0.00 0.00 0.00 176.54 179.10 3hja h LEU 300 N 0.63 0.00 0.00 3.11 3.38 -1.86 -2.85 115.31 117.72 3hja h LEU 300 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hja h LEU 300 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hja h LEU 300 CO -0.04 0.10 -0.42 -0.62 0.09 0.00 0.00 178.44 177.55 3hja n GLU 301 N -3.74 0.16 -1.71 1.13 -0.58 -0.75 -4.94 120.64 110.22 3hja n GLU 301 Ca -0.02 0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.35 3hja n GLU 301 Cb 0.21 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 3hja n GLU 301 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hja n THR 302 N -1.87 1.15 -3.76 2.62 -1.04 -1.08 -4.77 114.28 105.53 3hja n THR 302 Ca 0.05 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 3hja n THR 302 Cb 0.39 -1.70 -0.11 0.00 -1.82 0.00 0.00 70.33 67.09 3hja n THR 302 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3hja s MET 303 N -0.69 0.32 -0.03 -2.82 0.00 -0.60 -4.94 119.30 110.55 3hja s MET 303 Ca 0.64 0.44 0.03 0.00 0.00 0.00 0.00 55.69 56.81 3hja s MET 303 Cb -0.57 0.11 -0.00 0.00 0.00 0.00 0.00 34.83 34.36 3hja s MET 303 CO 0.51 -0.07 -0.12 0.08 0.00 0.00 0.00 175.02 175.43 3hja s VAL 304 N 0.41 1.00 0.00 10.11 1.01 -1.26 0.60 120.40 132.26 3hja s VAL 304 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3hja s VAL 304 Cb -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3hja s VAL 304 CO -0.02 0.30 0.00 -0.11 0.00 0.00 0.00 175.10 175.27 3hja n LEU 305 N 3.11 0.00 -4.20 3.92 7.94 -0.18 -4.95 117.00 122.64 3hja n LEU 305 Ca -0.17 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.54 3hja n LEU 305 Cb 0.54 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.38 3hja n LEU 305 CO 0.25 0.00 -0.46 -1.61 -1.11 0.00 0.00 177.39 174.46 3hja s GLU 306 N 0.45 0.89 -1.43 1.96 0.41 -1.26 -4.92 118.70 114.81 3hja s GLU 306 Ca 0.00 -1.04 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 3hja s GLU 306 Cb 0.00 -0.88 0.04 0.00 -1.78 0.00 0.00 34.13 31.50 3hja s GLU 306 CO 0.00 0.19 1.10 -1.71 -0.49 0.00 0.00 175.26 174.35 3hja n ASN 307 N 1.08 -5.65 0.00 -0.19 5.15 -1.23 -2.07 115.26 112.35 3hja n ASN 307 Ca -0.20 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 3hja n ASN 307 Cb 0.55 -4.58 0.00 0.00 -0.53 0.00 0.00 39.78 35.22 3hja n ASN 307 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hja n GLY 308 N -1.87 0.77 3.59 8.20 0.00 -1.15 -4.71 105.19 110.03 3hja n GLY 308 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hja n GLY 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hja s PHE 309 N -2.87 3.10 0.08 1.61 5.36 -0.88 -0.49 117.98 123.89 3hja s PHE 309 Ca 0.00 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.64 3hja s PHE 309 Cb 0.00 -3.50 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 3hja s PHE 309 CO 0.00 -0.77 -0.07 0.00 -1.46 0.00 0.00 175.22 172.92 3hja s ALA 310 N 3.26 0.80 -0.05 11.12 0.00 0.27 -1.01 121.76 136.15 3hja s ALA 310 Ca 0.34 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3hja s ALA 310 Cb -0.13 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hja s ALA 310 CO 0.17 -0.17 -0.14 0.21 0.00 0.00 0.00 175.76 175.84 3hja s LYS 311 N -3.06 1.63 -0.02 0.00 2.20 0.20 -0.47 119.74 120.22 3hja s LYS 311 Ca 0.04 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3hja s LYS 311 Cb 0.00 -1.39 0.02 0.00 -1.51 0.00 0.00 37.83 34.95 3hja s LYS 311 CO -0.03 0.12 -0.02 0.42 -0.36 0.00 0.00 175.35 175.47 3hja s ILE 312 N 0.36 0.31 -0.08 5.43 1.09 -0.06 -1.55 121.20 126.70 3hja s ILE 312 Ca -0.09 -0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.43 3hja s ILE 312 Cb -0.13 -0.34 -0.02 0.00 -1.06 0.00 0.00 42.46 40.91 3hja s ILE 312 CO 0.03 0.14 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.10 3hja s LEU 313 N 0.60 2.63 -0.03 2.97 1.02 -1.26 -0.13 118.68 124.49 3hja s LEU 313 Ca -0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.79 3hja s LEU 313 Cb -0.10 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.60 3hja s LEU 313 CO -0.01 0.27 0.04 -0.55 0.02 0.00 0.00 176.35 176.12 3hja s SER 314 N -0.26 0.25 0.44 2.29 0.15 0.53 -0.93 113.70 116.17 3hja s SER 314 Ca 0.01 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 3hja s SER 314 Cb -0.13 -0.06 -0.08 0.00 -1.71 0.00 0.00 66.02 64.04 3hja s SER 314 CO 0.03 -0.15 0.88 0.26 1.20 0.00 0.00 173.24 175.45 3hja s TRP 315 N 1.29 3.42 -0.27 3.44 0.52 0.41 0.26 118.94 128.01 3hja s TRP 315 Ca -0.06 1.32 -0.22 0.00 0.02 0.00 0.00 56.10 57.15 3hja s TRP 315 Cb -0.13 -2.66 0.07 0.00 -1.15 0.00 0.00 33.47 29.61 3hja s TRP 315 CO -0.03 -0.18 0.71 1.52 0.02 0.00 0.00 176.95 178.99 3hja s TYR 316 N -2.39 -0.87 -0.61 -1.98 -0.85 -0.43 -0.52 117.35 109.70 3hja s TYR 316 Ca 0.56 1.98 -0.27 0.00 -0.52 0.00 0.00 57.07 58.83 3hja s TYR 316 Cb -0.10 0.37 0.03 0.00 0.38 0.00 0.00 41.96 42.64 3hja s TYR 316 CO 0.26 -0.42 1.17 0.34 -1.52 0.00 0.00 175.55 175.39 3hja s ASP 317 N 0.73 6.36 0.59 -0.18 -1.08 -1.26 -0.69 116.67 121.13 3hja s ASP 317 Ca -0.03 -0.11 0.34 0.00 -0.52 0.00 0.00 52.55 52.23 3hja s ASP 317 Cb -0.05 -2.54 1.85 0.00 -1.46 0.00 0.00 42.92 40.72 3hja s ASP 317 CO -0.05 -1.53 2.21 -0.55 0.52 0.00 0.00 175.17 175.78 3hja h ASN 318 N 9.62 0.00 0.00 -0.34 -1.07 -1.92 -1.34 115.58 120.54 3hja h ASN 318 Ca -0.26 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.96 3hja h ASN 318 Cb 1.06 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.28 3hja h ASN 318 CO 1.19 0.04 -0.92 -0.33 0.07 0.00 0.00 177.43 177.48 3hja h GLU 319 N 0.00 0.00 0.16 4.14 5.08 -1.97 -3.38 114.58 118.61 3hja h GLU 319 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3hja h GLU 319 Cb 0.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3hja h GLU 319 CO 0.00 0.80 -1.21 0.35 -1.00 0.00 0.00 179.01 177.95 3hja h PHE 320 N -1.00 0.62 0.35 4.33 3.57 -1.78 -1.25 116.94 121.77 3hja h PHE 320 Ca -0.23 -0.45 -0.02 0.00 3.53 0.00 0.00 57.97 60.80 3hja h PHE 320 Cb 1.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3hja h PHE 320 CO 0.07 1.47 -0.17 0.78 -2.23 0.00 0.00 178.31 178.22 3hja h GLY 321 N -0.05 -0.49 0.34 2.40 0.00 -1.23 -1.59 103.07 102.45 3hja h GLY 321 Ca -0.23 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.38 3hja h GLY 321 CO 0.15 -0.18 0.21 -1.82 0.00 0.00 0.00 176.54 174.90 3hja h TYR 322 N -0.53 0.35 -0.52 5.60 3.20 -1.66 -1.82 116.97 121.60 3hja h TYR 322 Ca -0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3hja h TYR 322 Cb 0.40 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3hja h TYR 322 CO -0.04 0.07 0.21 0.77 -1.64 0.00 0.00 178.16 177.53 3hja h SER 323 N 0.37 0.68 -0.33 -2.11 0.02 -1.10 -1.53 113.55 109.55 3hja h SER 323 Ca 0.31 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3hja h SER 323 Cb 0.41 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3hja h SER 323 CO -0.33 0.61 0.16 0.74 -1.14 0.00 0.00 176.83 176.87 3hja h THR 324 N 0.74 1.16 -0.98 -2.27 2.02 -0.72 -2.47 112.91 110.39 3hja h THR 324 Ca 0.18 -0.46 0.07 0.00 0.77 0.00 0.00 66.41 66.97 3hja h THR 324 Cb 0.14 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3hja h THR 324 CO -0.02 0.17 0.63 0.03 0.37 0.00 0.00 175.52 176.70 3hja h ARG 325 N 0.40 1.10 -0.26 6.66 2.47 -0.69 -0.14 114.38 123.93 3hja h ARG 325 Ca 0.11 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3hja h ARG 325 Cb 0.12 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 3hja h ARG 325 CO -0.01 0.73 0.16 0.28 0.56 0.00 0.00 179.97 181.69 3hja h VAL 326 N 1.14 1.09 -0.32 2.04 2.07 -1.06 0.11 116.25 121.32 3hja h VAL 326 Ca 0.42 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 3hja h VAL 326 Cb 0.18 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hja h VAL 326 CO -0.17 0.09 0.12 0.58 0.02 0.00 0.00 177.57 178.21 3hja h VAL 327 N 0.33 1.19 -0.64 2.57 2.07 -0.95 -0.62 116.25 120.19 3hja h VAL 327 Ca 0.09 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.12 3hja h VAL 327 Cb 0.00 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 3hja h VAL 327 CO -0.02 0.20 0.28 0.44 0.02 0.00 0.00 177.57 178.50 3hja h ASP 328 N 0.37 0.33 -0.42 0.57 3.32 -0.83 -1.82 116.42 117.94 3hja h ASP 328 Ca 0.11 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3hja h ASP 328 Cb 0.20 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3hja h ASP 328 CO -0.01 0.19 0.03 0.25 -1.72 0.00 0.00 179.24 177.98 3hja h LEU 329 N 0.49 0.71 -0.41 1.55 5.85 -0.54 -2.21 115.31 120.76 3hja h LEU 329 Ca 0.32 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3hja h LEU 329 Cb 0.36 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3hja h LEU 329 CO -0.28 0.82 0.10 0.00 -0.34 0.00 0.00 178.44 178.74 3hja h ALA 330 N 0.91 0.45 -0.77 1.25 0.00 -0.75 -1.32 119.26 119.03 3hja h ALA 330 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hja h ALA 330 Cb 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3hja h ALA 330 CO 0.02 -0.30 0.51 1.96 0.00 0.00 0.00 179.25 181.43 3hja h GLN 331 N 0.24 0.98 -0.01 0.00 4.20 -1.21 -2.23 115.11 117.08 3hja h GLN 331 Ca 0.19 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3hja h GLN 331 Cb 0.22 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3hja h GLN 331 CO -0.24 0.65 -0.48 0.87 -0.67 0.00 0.00 178.83 178.96 3hja h LYS 332 N 1.01 0.02 -0.23 1.46 1.57 -0.85 -3.23 116.57 116.32 3hja h LYS 332 Ca 0.29 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.98 3hja h LYS 332 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hja h LYS 332 CO -0.07 0.50 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.04 3hja h LEU 333 N 0.02 0.40 -1.76 2.94 3.38 -0.61 -3.49 115.31 116.18 3hja h LEU 333 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hja h LEU 333 Cb 0.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hja h LEU 333 CO 0.06 0.61 0.00 1.33 0.09 0.00 0.00 178.44 180.53