#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 3.63 -0.04 3.17 1.02 -1.26 -2.78 119.74 123.47 3hja s LYS 2 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.50 3hja s LYS 2 Cb 0.00 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3hja s LYS 2 CO 0.00 -0.20 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.01 3hja s LEU 3 N 1.61 3.29 0.07 3.17 2.96 0.39 -0.52 118.68 129.66 3hja s LEU 3 Ca 0.06 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3hja s LEU 3 Cb -0.15 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3hja s LEU 3 CO 0.04 0.33 -0.20 0.00 -1.32 0.00 0.00 176.35 175.19 3hja s ALA 4 N -0.92 1.73 -0.17 5.97 0.00 -0.48 -0.57 121.76 127.33 3hja s ALA 4 Ca 0.15 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3hja s ALA 4 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3hja s ALA 4 CO 0.05 0.36 -0.18 0.42 0.00 0.00 0.00 175.76 176.41 3hja s ILE 5 N -0.98 2.29 -0.36 0.00 1.01 -0.72 -0.22 121.20 122.22 3hja s ILE 5 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3hja s ILE 5 Cb -0.09 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3hja s ILE 5 CO 0.03 0.53 0.16 0.21 0.00 0.00 0.00 174.94 175.87 3hja s ASN 6 N 1.14 5.55 0.00 3.58 2.47 0.50 -0.41 114.94 127.76 3hja s ASN 6 Ca 0.01 -1.05 0.00 0.00 0.42 0.00 0.00 52.86 52.24 3hja s ASN 6 Cb -0.14 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 3hja s ASN 6 CO -0.08 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.56 3hja n GLY 7 N 4.92 -0.75 2.51 1.21 0.00 0.22 -0.44 105.19 112.86 3hja n GLY 7 Ca -0.12 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 0.09 2.30 -0.51 1.61 7.35 -1.25 -3.88 117.46 123.17 3hja n PHE 8 Ca 0.00 -2.50 0.00 0.00 -0.76 0.00 0.00 57.45 54.19 3hja n PHE 8 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 39.48 38.22 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 1.21 1.70 0.06 7.13 0.00 -1.26 -4.47 105.19 109.57 3hja n GLY 9 Ca 0.57 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 0.08 0.18 1.61 2.47 -1.92 0.94 114.38 117.75 3hja h ARG 10 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hja h ARG 10 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3hja h ARG 10 CO 0.00 0.10 -0.09 0.82 0.56 0.00 0.00 179.97 181.37 3hja h ILE 11 N 0.04 0.91 -0.70 2.04 1.08 -1.90 -2.70 117.51 116.28 3hja h ILE 11 Ca 0.02 -0.87 0.15 0.00 -0.39 0.00 0.00 64.86 63.77 3hja h ILE 11 Cb 0.04 1.41 -0.11 0.00 -3.07 0.00 0.00 36.82 35.09 3hja h ILE 11 CO -0.00 0.19 0.11 1.23 -0.69 0.00 0.00 178.15 178.98 3hja h GLY 12 N -0.70 0.89 1.40 5.37 0.00 -1.65 0.15 103.07 108.52 3hja h GLY 12 Ca -0.03 0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 3hja h GLY 12 CO 0.04 -0.21 -0.62 3.21 0.00 0.00 0.00 176.54 178.97 3hja h ARG 13 N 0.21 0.62 -0.46 4.80 3.08 -0.88 -0.69 114.38 121.06 3hja h ARG 13 Ca 0.38 -0.43 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3hja h ARG 13 Cb 0.65 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3hja h ARG 13 CO -0.52 1.04 -0.26 -0.91 -1.07 0.00 0.00 179.97 178.25 3hja h ASN 14 N 0.46 1.01 -0.48 7.04 2.35 -1.05 -1.84 115.58 123.07 3hja h ASN 14 Ca -0.01 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3hja h ASN 14 Cb 1.19 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 3hja h ASN 14 CO 0.12 1.20 0.30 0.58 -1.65 0.00 0.00 177.43 177.98 3hja h VAL 15 N 0.83 1.14 -0.18 2.81 2.07 -0.68 -1.68 116.25 120.56 3hja h VAL 15 Ca 0.10 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3hja h VAL 15 Cb 0.85 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3hja h VAL 15 CO 0.07 0.14 -0.22 0.15 0.02 0.00 0.00 177.57 177.74 3hja h PHE 16 N 0.64 -0.58 -0.63 1.57 3.57 -0.97 0.94 116.94 121.48 3hja h PHE 16 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3hja h PHE 16 Cb -0.03 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3hja h PHE 16 CO -0.03 -0.30 0.25 0.87 -2.23 0.00 0.00 178.31 176.86 3hja h LYS 17 N -0.25 0.95 -0.04 1.11 1.57 -1.02 0.21 116.57 119.09 3hja h LYS 17 Ca 0.12 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3hja h LYS 17 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hja h LYS 17 CO -0.33 0.80 -0.01 0.82 -0.57 0.00 0.00 179.45 180.16 3hja h ILE 18 N 0.89 1.30 -0.41 1.86 2.04 -1.08 -2.20 117.51 119.91 3hja h ILE 18 Ca 0.21 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.18 3hja h ILE 18 Cb 0.21 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3hja h ILE 18 CO -0.02 0.25 0.23 0.00 0.00 0.00 0.00 178.15 178.61 3hja h ALA 19 N 0.65 0.52 -0.59 1.87 0.00 -0.64 -2.79 119.26 118.28 3hja h ALA 19 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hja h ALA 19 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hja h ALA 19 CO 0.00 -0.11 0.38 0.35 0.00 0.00 0.00 179.25 179.87 3hja h PHE 20 N 0.46 0.73 -0.01 0.00 3.57 -0.55 -1.22 116.94 119.92 3hja h PHE 20 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hja h PHE 20 Cb 0.04 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 3hja h PHE 20 CO -0.08 0.45 0.01 1.49 -2.23 0.00 0.00 178.31 177.95 3hja h GLU 21 N 0.78 0.00 -0.00 1.11 4.57 -1.26 -1.58 114.58 118.20 3hja h GLU 21 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3hja h GLU 21 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3hja h GLU 21 CO -0.05 0.00 -0.02 0.54 -1.18 0.00 0.00 179.01 178.30 3hja n ARG 22 N -4.52 1.07 -0.97 1.92 1.74 -0.50 -4.89 116.66 110.50 3hja n ARG 22 Ca -0.03 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3hja n ARG 22 Cb 0.10 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.11 0.48 3.77 -0.13 0.00 -0.59 -5.03 105.19 104.80 3hja n GLY 23 Ca 0.21 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.58 -0.74 -0.61 1.01 -0.96 -4.94 121.20 115.55 3hja s ILE 24 Ca 0.00 0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.95 3hja s ILE 24 Cb 0.00 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.16 3hja s ILE 24 CO 0.00 0.12 1.22 -0.62 0.00 0.00 0.00 174.94 175.66 3hja s ASP 25 N -0.52 6.18 -0.53 3.58 2.15 -1.12 -4.63 116.67 121.77 3hja s ASP 25 Ca 0.52 -0.61 -0.21 0.00 0.43 0.00 0.00 52.55 52.68 3hja s ASP 25 Cb -0.40 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 39.74 3hja s ASP 25 CO 0.53 -1.74 0.78 -0.63 -0.17 0.00 0.00 175.17 173.94 3hja s ILE 26 N 5.34 4.64 -0.07 4.11 1.01 -1.26 -0.46 121.20 134.51 3hja s ILE 26 Ca 0.33 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 3hja s ILE 26 Cb -0.09 -4.42 -0.30 0.00 0.01 0.00 0.00 42.46 37.65 3hja s ILE 26 CO 0.13 -0.97 0.83 0.58 0.00 0.00 0.00 174.94 175.51 3hja h VAL 27 N 5.94 1.48 -3.28 2.92 2.07 -1.20 -3.44 116.25 120.75 3hja h VAL 27 Ca -0.27 -2.50 -0.08 0.00 0.82 0.00 0.00 66.70 64.67 3hja h VAL 27 Cb 1.08 3.15 -0.15 0.00 -1.52 0.00 0.00 31.29 33.85 3hja h VAL 27 CO 1.03 0.70 -0.16 0.00 0.02 0.00 0.00 177.57 179.16 3hja s ALA 28 N -2.41 -0.82 -0.06 1.67 0.00 -1.24 -1.85 121.76 117.05 3hja s ALA 28 Ca -0.15 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3hja s ALA 28 Cb 0.01 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3hja s ALA 28 CO 0.81 -0.50 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 3hja s ILE 29 N -2.97 1.36 -0.07 0.00 1.01 0.20 -1.76 121.20 118.97 3hja s ILE 29 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3hja s ILE 29 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3hja s ILE 29 CO -0.06 0.40 -0.14 0.21 0.00 0.00 0.00 174.94 175.35 3hja s ASN 30 N 0.34 4.04 0.00 3.58 2.47 0.45 -0.75 114.94 125.07 3hja s ASN 30 Ca -0.10 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 52.95 3hja s ASN 30 Cb -0.14 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 3hja s ASN 30 CO 0.04 0.30 0.00 -0.67 -3.72 0.00 0.00 177.10 173.04 3hja n ASP 31 N 2.63 0.00 -0.25 -4.21 2.03 -0.54 -0.61 116.55 115.60 3hja n ASP 31 Ca -0.17 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 0.11 0.00 -0.72 0.00 0.00 41.12 41.04 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 1.83 0.00 -2.67 4.77 -1.26 -3.28 117.00 116.39 3hja n LEU 32 Ca 0.00 -2.68 -0.03 0.00 -0.03 0.00 0.00 56.01 53.28 3hja n LEU 32 Cb 0.00 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 3hja n LEU 32 CO 0.00 0.67 0.01 1.07 -1.33 0.00 0.00 177.39 177.81 3hja n THR 33 N -1.04 0.00 -2.89 -5.08 5.66 -1.26 -5.07 114.28 104.60 3hja n THR 33 Ca 0.13 -0.31 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 3hja n THR 33 Cb 0.67 0.17 0.02 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.34 5.75 0.44 1.09 1.47 -1.26 -4.75 116.67 118.07 3hja s ASP 34 Ca 0.05 0.30 0.10 0.00 1.18 0.00 0.00 52.55 54.17 3hja s ASP 34 Cb 0.00 -1.48 0.98 0.00 -0.34 0.00 0.00 42.92 42.08 3hja s ASP 34 CO 0.04 -0.79 2.09 -0.65 0.68 0.00 0.00 175.17 176.54 3hja h PRO 35 N 0.30 0.38 -0.48 2.11 0.11 -1.88 -2.46 132.00 130.08 3hja h PRO 35 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3hja h PRO 35 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hja h PRO 35 CO 0.57 0.25 0.12 0.87 -0.21 0.00 0.00 178.00 179.60 3hja h LYS 36 N 0.40 0.77 -0.38 1.05 6.56 -1.90 0.26 116.57 123.34 3hja h LYS 36 Ca 0.11 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 3hja h LYS 36 Cb -0.04 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.50 3hja h LYS 36 CO -0.02 0.75 0.20 1.15 -2.06 0.00 0.00 179.45 179.47 3hja h THR 37 N 0.66 1.16 -0.46 -0.16 2.02 -1.90 -0.84 112.91 113.39 3hja h THR 37 Ca 0.15 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 3hja h THR 37 Cb 0.32 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3hja h THR 37 CO 0.00 0.16 0.06 -0.07 0.37 0.00 0.00 175.52 176.05 3hja h LEU 38 N 0.47 0.73 -0.47 2.58 3.38 -1.25 -0.96 115.31 119.81 3hja h LEU 38 Ca 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hja h LEU 38 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hja h LEU 38 CO -0.02 0.82 0.29 0.00 0.09 0.00 0.00 178.44 179.62 3hja h ALA 39 N 0.94 0.59 -0.62 1.53 0.00 -0.89 -1.18 119.26 119.64 3hja h ALA 39 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hja h ALA 39 Cb 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hja h ALA 39 CO 0.01 0.07 0.29 1.25 0.00 0.00 0.00 179.25 180.87 3hja h HIS 40 N 0.62 0.89 -0.22 0.00 -0.00 -0.91 -0.33 115.15 115.21 3hja h HIS 40 Ca 0.17 -0.05 -0.11 0.00 -0.00 0.00 0.00 60.37 60.39 3hja h HIS 40 Cb -0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 3hja h HIS 40 CO -0.03 0.68 -0.32 -0.07 -0.00 0.00 0.00 177.93 178.18 3hja h LEU 41 N 0.85 0.46 -0.47 0.26 3.38 -1.04 -1.33 115.31 117.42 3hja h LEU 41 Ca 0.21 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hja h LEU 41 Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hja h LEU 41 CO -0.03 0.76 0.02 0.25 0.09 0.00 0.00 178.44 179.53 3hja h LEU 42 N 0.39 0.79 -0.29 1.67 5.85 -1.00 -3.31 115.31 119.41 3hja h LEU 42 Ca 0.05 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 3hja h LEU 42 Cb 0.76 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3hja h LEU 42 CO 0.06 0.89 -0.13 0.50 -0.34 0.00 0.00 178.44 179.43 3hja h LYS 43 N 0.66 0.60 -4.74 1.25 1.63 -0.79 -3.40 116.57 111.79 3hja h LYS 43 Ca 0.13 -0.26 -0.68 0.00 -0.85 0.00 0.00 60.65 59.00 3hja h LYS 43 Cb 0.48 -0.02 -0.36 0.00 -0.60 0.00 0.00 32.23 31.73 3hja h LYS 43 CO 0.02 0.83 -0.71 0.71 -3.45 0.00 0.00 179.45 176.85 3hja s TYR 44 N -4.64 3.43 -0.24 1.91 2.02 -0.53 -0.65 117.35 118.65 3hja s TYR 44 Ca -0.13 -2.34 -0.04 0.00 -0.37 0.00 0.00 57.07 54.19 3hja s TYR 44 Cb 0.08 -2.41 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 3hja s TYR 44 CO 0.79 -0.88 -0.03 0.34 -1.57 0.00 0.00 175.55 174.20 3hja s ASP 45 N 1.22 4.42 0.37 2.29 -1.08 -0.86 -4.65 116.67 118.38 3hja s ASP 45 Ca -0.01 -0.60 0.05 0.00 -0.52 0.00 0.00 52.55 51.47 3hja s ASP 45 Cb -0.20 -1.73 0.72 0.00 -1.46 0.00 0.00 42.92 40.24 3hja s ASP 45 CO -0.04 -0.08 2.00 0.28 0.52 0.00 0.00 175.17 177.85 3hja h SER 46 N 8.10 0.57 0.16 -0.34 0.02 -1.93 0.12 113.55 120.25 3hja h SER 46 Ca -0.37 -0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.32 3hja h SER 46 Cb 1.14 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 63.55 3hja h SER 46 CO 0.60 0.46 -1.03 0.74 -1.14 0.00 0.00 176.83 176.46 3hja h THR 47 N 0.66 1.40 -0.00 -2.27 2.02 -1.98 -3.40 112.91 109.34 3hja h THR 47 Ca 0.17 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.80 3hja h THR 47 Cb 0.01 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 3hja h THR 47 CO -0.03 0.73 -0.43 0.49 0.37 0.00 0.00 175.52 176.65 3hja n PHE 48 N -4.02 0.00 0.00 3.16 3.72 -1.15 -5.07 117.46 114.11 3hja n PHE 48 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3hja n PHE 48 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.20 -1.38 3.68 1.37 0.00 0.40 -4.96 105.19 105.49 3hja n GLY 49 Ca 0.02 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 4.96 -0.05 1.61 1.01 -1.26 -2.02 120.40 124.65 3hja s VAL 50 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3hja s VAL 50 Cb 0.00 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3hja s VAL 50 CO 0.00 0.10 1.80 -0.47 0.00 0.00 0.00 175.10 176.53 3hja s TYR 51 N 1.75 1.68 -1.01 5.22 5.04 0.17 -4.89 117.35 125.32 3hja s TYR 51 Ca 0.36 0.00 -0.06 0.00 -2.44 0.00 0.00 57.07 54.93 3hja s TYR 51 Cb -0.17 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3hja s TYR 51 CO 0.13 -4.42 2.79 0.09 -1.34 0.00 0.00 175.55 172.80 3hja n ASN 52 N 7.67 7.48 -4.11 4.32 5.03 -1.26 -4.85 115.26 129.54 3hja n ASN 52 Ca 0.19 -2.93 -0.08 0.00 0.87 0.00 0.00 54.58 52.63 3hja n ASN 52 Cb 0.42 -1.39 -0.10 0.00 -1.02 0.00 0.00 39.78 37.70 3hja n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hja s LYS 53 N -0.20 0.69 -0.49 3.52 1.02 -1.26 -5.10 119.74 117.91 3hja s LYS 53 Ca 0.61 -1.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 3hja s LYS 53 Cb 0.25 0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.73 3hja s LYS 53 CO -0.10 -0.12 1.18 0.21 -0.92 0.00 0.00 175.35 175.60 3hja s LYS 54 N -3.92 3.67 -0.20 1.68 2.20 -1.26 -4.92 119.74 116.98 3hja s LYS 54 Ca 0.10 0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 56.22 3hja s LYS 54 Cb 0.08 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 32.44 3hja s LYS 54 CO -0.08 -1.46 -0.04 0.08 -0.36 0.00 0.00 175.35 173.49 3hja s VAL 55 N 4.67 3.51 0.18 4.02 1.01 -1.26 -0.72 120.40 131.80 3hja s VAL 55 Ca 0.49 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3hja s VAL 55 Cb -0.08 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3hja s VAL 55 CO 0.31 0.44 -0.12 -1.61 0.00 0.00 0.00 175.10 174.12 3hja s GLU 56 N 1.14 1.19 0.09 2.72 2.02 0.26 -4.97 118.70 121.15 3hja s GLU 56 Ca 0.02 -1.52 0.08 0.00 0.02 0.00 0.00 54.97 53.57 3hja s GLU 56 Cb -0.15 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 3hja s GLU 56 CO -0.00 0.13 -0.20 -1.54 0.02 0.00 0.00 175.26 173.66 3hja s SER 57 N -3.24 2.46 0.22 -0.19 1.04 -1.26 -0.20 113.70 112.54 3hja s SER 57 Ca 0.20 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3hja s SER 57 Cb 0.01 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3hja s SER 57 CO 0.04 0.06 0.23 -2.11 0.98 0.00 0.00 173.24 172.44 3hja n ARG 58 N 1.19 0.34 -1.65 4.02 1.85 0.03 -4.96 116.66 117.47 3hja n ARG 58 Ca -0.19 -2.06 -0.42 0.00 -1.00 0.00 0.00 57.85 54.18 3hja n ARG 58 Cb 0.54 1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 33.70 3hja n ARG 58 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hja s ASP 59 N -2.49 6.23 -1.88 2.89 1.01 -1.26 -2.52 116.67 118.65 3hja s ASP 59 Ca 0.24 2.51 0.00 0.00 0.71 0.00 0.00 52.55 56.00 3hja s ASP 59 Cb 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3hja s ASP 59 CO 0.17 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 174.90 3hja n GLY 60 N 4.82 1.56 3.39 0.21 0.00 -1.26 -4.97 105.19 108.93 3hja n GLY 60 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.69 -1.30 0.23 4.61 0.00 -1.05 -1.06 121.76 120.49 3hja s ALA 61 Ca 0.00 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.56 3hja s ALA 61 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 3hja s ALA 61 CO 0.00 -0.55 -0.10 0.96 0.00 0.00 0.00 175.76 176.07 3hja s ILE 62 N -2.74 3.06 -0.08 0.00 -4.36 -0.02 -0.79 121.20 116.26 3hja s ILE 62 Ca -0.04 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3hja s ILE 62 Cb -0.00 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.15 3hja s ILE 62 CO -0.04 -0.25 -0.14 -0.69 0.24 0.00 0.00 174.94 174.06 3hja s VAL 63 N -2.04 1.32 -0.19 8.37 1.01 0.72 -0.41 120.40 129.18 3hja s VAL 63 Ca 0.27 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3hja s VAL 63 Cb -0.07 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.15 3hja s VAL 63 CO 0.16 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 3hja s VAL 64 N 0.70 1.73 -1.50 2.92 1.01 0.30 -0.57 120.40 124.99 3hja s VAL 64 Ca -0.13 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 3hja s VAL 64 Cb -0.16 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.53 3hja s VAL 64 CO 0.03 0.24 0.62 0.47 0.00 0.00 0.00 175.10 176.47 3hja n ASP 65 N 4.67 -1.84 0.00 3.32 8.00 0.10 -1.29 116.55 129.51 3hja n ASP 65 Ca -0.16 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3hja n ASP 65 Cb 0.47 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.75 2.77 3.66 0.44 0.00 -1.26 -5.00 105.19 104.05 3hja n GLY 66 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3hja n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hja s ARG 67 N -0.12 4.22 -0.07 1.61 1.04 -0.41 -5.04 118.95 120.18 3hja s ARG 67 Ca 0.00 0.58 -0.22 0.00 -1.04 0.00 0.00 55.73 55.06 3hja s ARG 67 Cb 0.00 -3.57 -0.04 0.00 -2.04 0.00 0.00 34.95 29.30 3hja s ARG 67 CO 0.00 -0.20 0.63 -2.00 -0.04 0.00 0.00 175.30 173.69 3hja s GLU 68 N 1.77 4.39 -0.13 3.89 2.12 -1.26 -0.54 118.70 128.95 3hja s GLU 68 Ca 0.28 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.39 3hja s GLU 68 Cb -0.16 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.81 3hja s GLU 68 CO 0.10 0.15 -0.22 0.42 -0.54 0.00 0.00 175.26 175.18 3hja s ILE 69 N 0.56 2.17 0.29 -3.70 1.09 0.45 -4.94 121.20 117.12 3hja s ILE 69 Ca 0.33 -0.96 -0.29 0.00 -1.10 0.00 0.00 60.65 58.63 3hja s ILE 69 Cb -0.17 -1.86 -0.10 0.00 -1.06 0.00 0.00 42.46 39.27 3hja s ILE 69 CO 0.16 0.55 1.23 -0.75 -0.10 0.00 0.00 174.94 176.02 3hja s LYS 70 N 0.63 4.47 -0.19 2.79 2.20 -0.77 -0.84 119.74 128.02 3hja s LYS 70 Ca -0.11 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 57.49 3hja s LYS 70 Cb -0.16 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3hja s LYS 70 CO 0.02 -0.04 -0.03 0.42 -0.36 0.00 0.00 175.35 175.36 3hja s ILE 71 N -0.96 3.66 0.12 5.43 -1.09 -0.23 -0.63 121.20 127.50 3hja s ILE 71 Ca 0.48 -0.41 0.09 0.00 -2.23 0.00 0.00 60.65 58.57 3hja s ILE 71 Cb -0.36 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3hja s ILE 71 CO 0.46 0.44 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.82 3hja s ILE 72 N 1.02 2.91 -0.57 2.92 1.01 0.07 -4.65 121.20 123.92 3hja s ILE 72 Ca 0.01 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.21 3hja s ILE 72 Cb -0.15 -2.35 0.17 0.00 0.01 0.00 0.00 42.46 40.15 3hja s ILE 72 CO 0.01 0.09 0.42 0.00 0.00 0.00 0.00 174.94 175.45 3hja s ALA 73 N -1.18 2.75 -0.16 9.38 0.00 -1.26 -1.47 121.76 129.82 3hja s ALA 73 Ca 0.19 -3.21 -0.01 0.00 0.00 0.00 0.00 51.96 48.93 3hja s ALA 73 Cb -0.11 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.14 3hja s ALA 73 CO 0.11 -2.05 -0.03 -2.00 0.00 0.00 0.00 175.76 171.79 3hja s GLU 74 N -0.74 1.19 0.21 0.00 2.56 -1.21 -4.96 118.70 115.76 3hja s GLU 74 Ca 0.28 -0.45 -0.02 0.00 0.00 0.00 0.00 54.97 54.78 3hja s GLU 74 Cb -0.02 -1.94 0.17 0.00 2.00 0.00 0.00 34.13 34.34 3hja s GLU 74 CO -0.17 -0.47 1.55 -0.09 -0.56 0.00 0.00 175.26 175.52 3hja h ARG 75 N 8.16 0.52 -5.19 4.30 2.43 -1.98 -3.42 114.38 119.20 3hja h ARG 75 Ca -0.22 -0.30 -0.66 0.00 -0.81 0.00 0.00 59.98 57.99 3hja h ARG 75 Cb 1.11 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.53 3hja h ARG 75 CO 0.37 0.90 -0.06 0.34 -1.51 0.00 0.00 179.97 180.01 3hja s ASP 76 N -6.89 6.29 0.58 -3.80 -1.08 -1.26 -4.96 116.67 105.55 3hja s ASP 76 Ca -0.07 -0.21 0.36 0.00 -0.52 0.00 0.00 52.55 52.11 3hja s ASP 76 Cb 0.12 -2.27 1.74 0.00 -1.46 0.00 0.00 42.92 41.05 3hja s ASP 76 CO 0.83 -0.55 2.14 1.55 0.52 0.00 0.00 175.17 179.66 3hja h PRO 77 N 8.58 0.00 -0.38 4.34 0.13 -1.84 -1.93 132.00 140.91 3hja h PRO 77 Ca -0.27 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.96 3hja h PRO 77 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3hja h PRO 77 CO 0.80 0.04 0.27 0.87 -0.23 0.00 0.00 178.00 179.74 3hja h LYS 78 N 0.00 0.02 -0.15 0.86 1.57 -1.92 -2.79 116.57 114.15 3hja h LYS 78 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hja h LYS 78 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hja h LYS 78 CO 0.00 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 3hja n ASN 79 N -4.43 1.65 -4.76 0.86 3.02 -0.72 -4.17 115.26 106.71 3hja n ASN 79 Ca 0.06 -1.69 -0.39 0.00 -0.03 0.00 0.00 54.58 52.53 3hja n ASN 79 Cb 0.45 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.60 4.51 -0.25 3.41 1.43 -1.05 -4.96 118.68 120.16 3hja s LEU 80 Ca 0.33 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.41 3hja s LEU 80 Cb 0.18 -3.76 0.02 0.00 0.03 0.00 0.00 46.19 42.66 3hja s LEU 80 CO 0.27 -0.03 2.65 -0.81 0.23 0.00 0.00 176.35 178.66 3hja n PRO 81 N 1.06 1.95 -0.14 1.29 -0.04 -1.26 -4.60 135.00 133.26 3hja n PRO 81 Ca -0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 63.50 61.87 3hja n PRO 81 Cb 0.47 -1.80 0.04 0.00 -0.04 0.00 0.00 33.50 32.17 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 2.29 1.04 0.22 0.54 -0.00 -1.80 -2.09 115.95 116.15 3hja h TRP 82 Ca 0.26 -0.24 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 3hja h TRP 82 Cb 1.00 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.91 3hja h TRP 82 CO 1.18 1.02 -0.10 0.00 -0.00 0.00 0.00 178.44 180.54 3hja h ALA 83 N 0.97 -0.29 -1.00 1.49 0.00 -1.15 -0.16 119.26 119.12 3hja h ALA 83 Ca 0.11 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.13 3hja h ALA 83 Cb 0.74 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 3hja h ALA 83 CO 0.06 -0.63 0.61 1.57 0.00 0.00 0.00 179.25 180.86 3hja h LYS 84 N -0.35 0.69 -0.01 0.00 -0.00 -1.83 -1.71 116.57 113.36 3hja h LYS 84 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 3hja h LYS 84 Cb 0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.34 3hja h LYS 84 CO 0.05 0.46 -0.23 1.28 -0.00 0.00 0.00 179.45 181.01 3hja n LEU 85 N -4.75 0.78 -0.71 7.07 4.77 -0.79 -4.96 117.00 118.40 3hja n LEU 85 Ca 0.23 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 3hja n LEU 85 Cb 0.61 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3hja n LEU 85 CO 0.22 0.15 -0.08 0.61 -1.33 0.00 0.00 177.39 176.95 3hja n GLY 86 N 1.34 0.36 3.68 -0.72 0.00 -0.15 -4.96 105.19 104.74 3hja n GLY 86 Ca 0.12 -0.64 -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 -2.32 2.99 -0.11 -0.61 -1.09 -0.75 -4.72 121.20 114.59 3hja s ILE 87 Ca 0.00 0.31 -0.17 0.00 -2.23 0.00 0.00 60.65 58.56 3hja s ILE 87 Cb 0.00 -3.20 -0.15 0.00 -1.58 0.00 0.00 42.46 37.53 3hja s ILE 87 CO 0.00 -0.01 0.52 0.44 -1.23 0.00 0.00 174.94 174.66 3hja h ASP 88 N 9.07 -0.03 -3.26 3.58 3.32 -1.16 -2.43 116.42 125.50 3hja h ASP 88 Ca -0.44 -0.53 -0.55 0.00 0.02 0.00 0.00 57.03 55.53 3hja h ASP 88 Cb 1.21 0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.42 3hja h ASP 88 CO 0.94 0.71 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.66 3hja s VAL 89 N -2.21 1.26 -0.12 -1.35 1.01 -0.99 -0.98 120.40 117.03 3hja s VAL 89 Ca -0.11 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 3hja s VAL 89 Cb -0.01 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3hja s VAL 89 CO 0.41 0.40 0.42 -0.69 0.00 0.00 0.00 175.10 175.64 3hja s VAL 90 N 1.20 5.20 -0.40 2.92 1.01 0.15 -1.38 120.40 129.09 3hja s VAL 90 Ca -0.04 0.84 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 3hja s VAL 90 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3hja s VAL 90 CO -0.03 0.37 0.70 -0.63 0.00 0.00 0.00 175.10 175.51 3hja s ILE 91 N 0.41 4.78 -0.78 2.22 -1.09 0.70 -0.76 121.20 126.67 3hja s ILE 91 Ca 0.23 0.49 -0.18 0.00 -2.23 0.00 0.00 60.65 58.96 3hja s ILE 91 Cb -0.15 -4.19 0.14 0.00 -1.58 0.00 0.00 42.46 36.68 3hja s ILE 91 CO 0.09 -0.50 0.90 -0.70 -1.23 0.00 0.00 174.94 173.49 3hja s GLU 92 N 2.95 3.40 -0.24 2.79 2.56 0.52 -0.37 118.70 130.31 3hja s GLU 92 Ca 0.27 -1.74 0.16 0.00 0.00 0.00 0.00 54.97 53.65 3hja s GLU 92 Cb -0.14 -4.56 0.47 0.00 2.00 0.00 0.00 34.13 31.91 3hja s GLU 92 CO 0.18 -1.59 1.16 -1.13 -0.56 0.00 0.00 175.26 173.32 3hja n SER 93 N 5.93 2.85 0.07 -1.70 3.41 0.41 -2.09 113.62 122.51 3hja n SER 93 Ca 0.09 -2.93 -0.00 0.00 -0.26 0.00 0.00 58.87 55.77 3hja n SER 93 Cb 0.46 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 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 3.86 0.80 0.00 6.66 1.35 -1.74 -3.42 112.91 120.41 3hja h THR 94 Ca 0.07 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3hja h THR 94 Cb 1.42 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3hja h THR 94 CO 0.38 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 3hja n GLY 95 N 1.33 1.83 0.50 5.82 0.00 -1.26 -4.88 105.19 108.53 3hja n GLY 95 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 0.11 -2.67 1.61 0.24 -1.26 -4.67 118.33 109.69 3hja n VAL 96 Ca 0.00 -0.56 -0.25 0.00 -2.04 0.00 0.00 64.34 61.49 3hja n VAL 96 Cb 0.00 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.66 3.33 1.28 6.34 3.72 -1.26 -4.86 117.46 126.67 3hja n PHE 97 Ca 0.08 -3.42 0.12 0.00 -0.05 0.00 0.00 57.45 54.18 3hja n PHE 97 Cb 0.31 -0.25 0.42 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.34 1.76 -4.75 4.37 3.41 -1.26 -2.82 113.62 113.98 3hja n SER 98 Ca 0.34 -1.65 -0.33 0.00 -0.26 0.00 0.00 58.87 56.96 3hja n SER 98 Cb 0.58 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 5.55 0.23 4.04 0.01 -1.26 -0.28 113.70 120.21 3hja s SER 99 Ca 0.35 0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.67 3hja s SER 99 Cb 0.19 -1.57 0.38 0.00 0.21 0.00 0.00 66.02 65.23 3hja s SER 99 CO 0.30 0.29 1.73 0.00 0.41 0.00 0.00 173.24 175.97 3hja h ALA 100 N 4.31 0.92 -2.50 1.44 0.00 -1.92 -2.56 119.26 118.95 3hja h ALA 100 Ca -0.50 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3hja h ALA 100 Cb 1.18 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 3hja h ALA 100 CO 0.60 -0.23 -0.61 0.95 0.00 0.00 0.00 179.25 179.97 3hja s THR 101 N -6.06 0.17 0.20 0.00 -4.23 -1.26 -1.48 115.64 102.98 3hja s THR 101 Ca -0.13 -1.38 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 3hja s THR 101 Cb 0.19 -1.10 0.05 0.00 1.34 0.00 0.00 72.50 72.99 3hja s THR 101 CO 0.75 -0.76 0.91 -0.55 -0.54 0.00 0.00 174.62 174.43 3hja s SER 102 N -2.43 -0.17 0.16 3.99 0.15 -1.23 -4.80 113.70 109.37 3hja s SER 102 Ca -0.01 -0.51 -0.16 0.00 0.70 0.00 0.00 55.95 55.98 3hja s SER 102 Cb 0.02 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 3hja s SER 102 CO -0.07 -1.05 1.75 -2.24 1.20 0.00 0.00 173.24 172.83 3hja h ASP 103 N 2.00 0.13 1.89 5.45 -0.00 -2.02 -2.82 116.42 121.05 3hja h ASP 103 Ca -0.24 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 3hja h ASP 103 Cb 1.23 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 3hja h ASP 103 CO 0.26 0.11 -0.00 0.07 -0.00 0.00 0.00 179.24 179.68 3hja h LYS 104 N 0.28 0.00 0.00 4.15 -0.00 -1.99 -3.50 116.57 115.51 3hja h LYS 104 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.82 3hja h LYS 104 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.39 3hja h LYS 104 CO -0.18 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.68 3hja n GLY 105 N 1.14 3.04 3.85 0.07 0.00 -1.07 -4.70 105.19 107.53 3hja n GLY 105 Ca 0.04 -1.86 -0.07 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 0.00 -0.02 0.48 -0.02 0.00 -1.26 -3.52 107.32 102.98 3hja s GLY 106 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 44.72 44.50 3hja s GLY 106 CO 0.00 -0.11 2.07 0.10 0.00 0.00 0.00 173.10 175.17 3hja h TYR 107 N 2.00 0.06 0.00 1.90 -0.00 -1.29 -1.42 116.97 118.22 3hja h TYR 107 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.51 3hja h TYR 107 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.96 3hja h TYR 107 CO 0.59 0.12 0.00 -0.07 -0.00 0.00 0.00 178.16 178.80 3hja h LEU 108 N 0.06 0.00 -1.25 0.10 3.38 -1.52 -2.81 115.31 113.27 3hja h LEU 108 Ca 0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.12 3hja h LEU 108 Cb 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3hja h LEU 108 CO 0.01 0.00 0.58 0.44 0.09 0.00 0.00 178.44 179.55 3hja h ASP 109 N 0.00 0.69 -0.56 -0.43 3.32 -1.38 0.61 116.42 118.67 3hja h ASP 109 Ca 0.00 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 3hja h ASP 109 Cb 0.45 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3hja h ASP 109 CO 0.00 0.36 0.38 0.45 -1.72 0.00 0.00 179.24 178.71 3hja h HIS 110 N 0.74 0.35 0.00 4.55 3.86 -1.67 -0.91 115.15 122.08 3hja h HIS 110 Ca 0.45 0.01 -0.40 0.00 -1.16 0.00 0.00 60.37 59.26 3hja h HIS 110 Cb 0.66 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 3hja h HIS 110 CO -0.00 0.17 -2.38 1.33 0.86 0.00 0.00 177.93 177.90 3hja n VAL 111 N -4.46 1.37 0.11 2.45 0.24 -0.51 -1.03 118.33 116.50 3hja n VAL 111 Ca 0.09 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.96 3hja n VAL 111 Cb 0.39 -1.69 0.17 0.00 -1.47 0.00 0.00 33.84 31.24 3hja n VAL 111 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3hja h ASN 112 N -0.63 0.14 0.00 -1.34 2.35 -1.00 -3.08 115.58 112.03 3hja h ASN 112 Ca -0.60 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.03 3hja h ASN 112 Cb 1.63 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 3hja h ASN 112 CO -0.29 0.68 -1.13 1.41 -1.65 0.00 0.00 177.43 176.45 3hja n HIS 113 N -3.88 0.00 0.36 1.19 8.25 -1.04 -4.75 115.22 115.36 3hja n HIS 113 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3hja n HIS 113 Cb 0.59 -0.09 0.11 0.00 1.12 0.00 0.00 29.99 31.71 3hja n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hja h ALA 114 N 0.03 0.59 0.00 -1.41 0.00 -1.30 -3.48 119.26 113.68 3hja h ALA 114 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hja h ALA 114 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hja h ALA 114 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3hja n GLY 115 N 1.26 0.51 3.82 0.00 0.00 -1.10 -1.16 105.19 108.52 3hja n GLY 115 Ca 0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 2.88 0.08 4.61 0.00 -0.20 -3.36 121.76 123.77 3hja s ALA 116 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 3hja s ALA 116 Cb 0.00 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.81 3hja s ALA 116 CO 0.00 -0.61 1.32 0.87 0.00 0.00 0.00 175.76 177.34 3hja h LYS 117 N 0.51 0.68 -3.45 0.00 1.79 -1.44 -3.38 116.57 111.27 3hja h LYS 117 Ca -0.46 -0.47 -0.14 0.00 -2.18 0.00 0.00 60.65 57.39 3hja h LYS 117 Cb 1.20 0.07 -0.20 0.00 -1.58 0.00 0.00 32.23 31.73 3hja h LYS 117 CO 0.59 1.09 -0.45 0.15 -1.08 0.00 0.00 179.45 179.76 3hja s LYS 118 N -3.95 0.54 -0.04 3.15 1.02 -0.16 -4.70 119.74 115.60 3hja s LYS 118 Ca -0.12 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.49 3hja s LYS 118 Cb 0.08 0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 3hja s LYS 118 CO 0.85 -0.13 -0.10 0.54 -0.92 0.00 0.00 175.35 175.59 3hja s VAL 119 N -1.53 0.91 -0.26 3.17 0.11 -0.30 -0.67 120.40 121.82 3hja s VAL 119 Ca -0.13 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 58.42 3hja s VAL 119 Cb -0.06 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 3hja s VAL 119 CO 0.01 0.29 0.14 -0.63 -3.33 0.00 0.00 175.10 171.58 3hja s ILE 120 N 0.36 4.97 -0.22 7.04 1.01 0.06 -1.34 121.20 133.07 3hja s ILE 120 Ca -0.07 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 3hja s ILE 120 Cb -0.11 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3hja s ILE 120 CO 0.01 0.30 0.68 -0.22 0.00 0.00 0.00 174.94 175.71 3hja s LEU 121 N 1.60 4.11 -0.35 2.97 2.96 0.18 -0.35 118.68 129.79 3hja s LEU 121 Ca 0.07 0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3hja s LEU 121 Cb -0.15 -2.96 0.19 0.00 0.50 0.00 0.00 46.19 43.76 3hja s LEU 121 CO 0.08 -0.36 2.18 0.35 -1.32 0.00 0.00 176.35 177.28 3hja n THR 122 N 4.96 2.91 -3.56 3.68 -2.24 -0.89 -1.72 114.28 117.42 3hja n THR 122 Ca 0.01 -1.93 -0.08 0.00 -2.27 0.00 0.00 64.05 59.78 3hja n THR 122 Cb 0.49 -1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.44 2.28 0.11 -1.22 -4.92 120.40 114.78 3hja s VAL 123 Ca 0.38 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.17 3hja s VAL 123 Cb 0.28 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 3hja s VAL 123 CO -0.05 0.00 1.36 -0.81 -3.33 0.00 0.00 175.10 172.28 3hja n PRO 124 N 0.17 2.10 -2.62 1.54 -0.04 -1.24 -4.43 135.00 130.49 3hja n PRO 124 Ca -0.06 0.75 -0.34 0.00 -0.04 0.00 0.00 63.50 63.81 3hja n PRO 124 Cb 0.59 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.20 2.93 -0.49 0.55 0.00 -1.26 -4.94 121.76 117.34 3hja s ALA 125 Ca 0.61 0.52 0.26 0.00 0.00 0.00 0.00 51.96 53.36 3hja s ALA 125 Cb -0.47 -3.22 0.90 0.00 0.00 0.00 0.00 23.12 20.33 3hja s ALA 125 CO 0.57 -0.18 1.76 0.87 0.00 0.00 0.00 175.76 178.79 3hja h LYS 126 N 1.63 0.00 0.00 0.00 6.56 -1.02 -3.46 116.57 120.27 3hja h LYS 126 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3hja h LYS 126 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3hja h LYS 126 CO 0.60 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.59 3hja n ASP 127 N -2.46 1.91 -4.72 0.86 5.68 -1.26 -5.04 116.55 111.53 3hja n ASP 127 Ca 0.03 -0.69 -0.41 0.00 -0.50 0.00 0.00 54.79 53.22 3hja n ASP 127 Cb 0.35 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.29 3hja n ASP 127 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3hja s GLU 128 N -1.08 4.54 0.05 0.11 4.04 -1.26 -5.04 118.70 120.07 3hja s GLU 128 Ca 0.00 1.21 -0.22 0.00 0.04 0.00 0.00 54.97 56.00 3hja s GLU 128 Cb 0.00 -3.42 0.05 0.00 0.02 0.00 0.00 34.13 30.79 3hja s GLU 128 CO 0.00 0.12 0.52 -1.50 -1.84 0.00 0.00 175.26 172.56 3hja s ILE 129 N 0.48 0.03 0.16 1.83 2.07 -1.26 -5.02 121.20 119.49 3hja s ILE 129 Ca 0.44 -0.24 -0.31 0.00 -1.41 0.00 0.00 60.65 59.12 3hja s ILE 129 Cb -0.21 -0.98 -0.10 0.00 0.13 0.00 0.00 42.46 41.30 3hja s ILE 129 CO 0.25 -0.13 1.64 -0.75 -1.91 0.00 0.00 174.94 174.03 3hja s LYS 130 N -2.52 4.19 -0.13 3.50 2.47 -1.26 -4.90 119.74 121.09 3hja s LYS 130 Ca -0.05 2.43 0.02 0.00 -1.56 0.00 0.00 55.97 56.82 3hja s LYS 130 Cb -0.01 -3.23 0.01 0.00 -1.46 0.00 0.00 37.83 33.14 3hja s LYS 130 CO -0.02 -0.68 -0.21 0.99 0.16 0.00 0.00 175.35 175.59 3hja s THR 131 N 1.49 1.93 -0.07 3.43 2.01 -1.26 -0.74 115.64 122.43 3hja s THR 131 Ca 0.73 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.87 3hja s THR 131 Cb -0.45 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 3hja s THR 131 CO 0.32 0.53 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.92 3hja s ILE 132 N 0.82 1.92 -0.21 1.82 -1.09 -0.23 -4.80 121.20 119.42 3hja s ILE 132 Ca -0.08 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 3hja s ILE 132 Cb -0.16 -1.64 0.04 0.00 -1.58 0.00 0.00 42.46 39.12 3hja s ILE 132 CO -0.01 0.53 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.41 3hja s VAL 133 N 0.09 1.93 0.29 2.92 1.01 -1.26 -4.12 120.40 121.26 3hja s VAL 133 Ca -0.10 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 3hja s VAL 133 Cb -0.15 -1.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 3hja s VAL 133 CO 0.05 0.21 1.44 -0.76 0.00 0.00 0.00 175.10 176.04 3hja s LEU 134 N 1.27 4.38 0.00 3.92 1.43 -1.26 -1.45 118.68 126.96 3hja s LEU 134 Ca -0.02 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 3hja s LEU 134 Cb -0.17 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3hja s LEU 134 CO -0.08 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3hja n GLY 135 N 1.60 1.30 0.82 -3.19 0.00 -1.26 -4.88 105.19 99.59 3hja n GLY 135 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.90 -2.48 1.61 0.31 -0.53 -4.89 118.33 111.24 3hja n VAL 136 Ca 0.00 0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 64.41 3hja n VAL 136 Cb 0.00 -1.56 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 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 -3.34 3.71 -0.35 4.52 6.94 -0.94 -4.89 115.26 120.91 3hja n ASN 137 Ca -0.02 -3.35 -0.01 0.00 -0.02 0.00 0.00 54.58 51.17 3hja n ASN 137 Cb 0.08 -0.46 0.11 0.00 -2.36 0.00 0.00 39.78 37.15 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 2.62 1.06 0.00 0.53 3.32 -1.91 -2.45 116.42 119.59 3hja h ASP 138 Ca 0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hja h ASP 138 Cb 1.11 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3hja h ASP 138 CO 0.70 0.75 0.18 0.45 -1.72 0.00 0.00 179.24 179.60 3hja h HIS 139 N 1.24 0.00 0.00 4.55 -0.00 -1.97 -0.64 115.15 118.32 3hja h HIS 139 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 3hja h HIS 139 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 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 -2.97 0.00 -4.62 2.45 8.00 -0.92 -4.70 116.55 113.80 3hja n ASP 140 Ca -0.02 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 3hja n ASP 140 Cb 0.24 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.78 3.87 0.12 0.53 1.01 -0.25 -5.01 121.20 118.68 3hja s ILE 141 Ca 0.17 0.95 0.10 0.00 0.00 0.00 0.00 60.65 61.86 3hja s ILE 141 Cb 0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3hja s ILE 141 CO 0.39 -0.48 -0.24 0.54 0.00 0.00 0.00 174.94 175.14 3hja s ASN 142 N 3.89 3.02 0.24 3.58 2.20 -1.26 -5.05 114.94 121.56 3hja s ASN 142 Ca 0.65 -0.73 0.21 0.00 -0.94 0.00 0.00 52.86 52.04 3hja s ASN 142 Cb -0.19 -0.19 0.95 0.00 -2.00 0.00 0.00 41.25 39.82 3hja s ASN 142 CO 0.29 0.13 1.63 -1.54 -2.94 0.00 0.00 177.10 174.66 3hja n SER 143 N 0.95 0.53 -0.31 3.54 3.41 -1.26 -2.25 113.62 118.23 3hja n SER 143 Ca -0.18 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 3hja n SER 143 Cb 0.53 -0.77 0.50 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.14 1.08 -4.76 4.04 9.92 -1.26 -4.94 116.55 118.49 3hja n ASP 144 Ca 0.01 -1.09 -0.41 0.00 -0.53 0.00 0.00 54.79 52.77 3hja n ASP 144 Cb 0.14 0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 3hja n ASP 144 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hja s LEU 145 N -2.28 4.33 -0.08 0.64 1.43 -0.96 -4.93 118.68 116.84 3hja s LEU 145 Ca 0.32 3.00 0.10 0.00 -1.03 0.00 0.00 54.13 56.51 3hja s LEU 145 Cb 0.20 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.64 3hja s LEU 145 CO 0.43 -0.93 0.08 2.29 0.23 0.00 0.00 176.35 178.46 3hja n LYS 146 N 1.77 1.87 -3.70 1.70 -0.00 -1.26 -4.82 118.16 113.71 3hja n LYS 146 Ca 0.07 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.22 3hja n LYS 146 Cb 0.38 -1.27 -0.13 0.00 -0.00 0.00 0.00 35.03 34.01 3hja n LYS 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hja s ALA 147 N -2.37 -0.60 -0.01 0.58 0.00 -1.26 -1.15 121.76 116.95 3hja s ALA 147 Ca -0.05 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3hja s ALA 147 Cb 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3hja s ALA 147 CO 0.44 -0.36 0.02 0.08 0.00 0.00 0.00 175.76 175.94 3hja s VAL 148 N 1.68 -0.03 -0.07 0.00 1.01 -0.45 -4.10 120.40 118.44 3hja s VAL 148 Ca -0.06 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3hja s VAL 148 Cb -0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 3hja s VAL 148 CO -0.09 0.05 0.37 -0.55 0.00 0.00 0.00 175.10 174.88 3hja s SER 149 N 0.62 6.66 -0.07 3.32 0.15 0.08 0.50 113.70 124.96 3hja s SER 149 Ca -0.05 0.78 0.08 0.00 0.70 0.00 0.00 55.95 57.46 3hja s SER 149 Cb -0.08 -2.22 0.34 0.00 -1.71 0.00 0.00 66.02 62.35 3hja s SER 149 CO -0.02 0.22 1.13 -3.20 1.20 0.00 0.00 173.24 172.58 3hja n ASN 150 N 2.59 2.62 0.00 5.45 5.15 -0.70 -1.06 115.26 129.31 3hja n ASN 150 Ca -0.13 -2.26 0.00 0.00 -0.60 0.00 0.00 54.58 51.59 3hja n ASN 150 Cb 0.52 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 3hja n ASN 150 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hja n ALA 151 N 0.36 0.00 -2.34 5.20 0.00 -1.26 -4.79 120.51 117.68 3hja n ALA 151 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 3hja n ALA 151 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 5.13 0.25 0.00 1.04 -1.26 -3.38 113.70 111.48 3hja s SER 152 Ca 0.00 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 3hja s SER 152 Cb 0.00 -0.73 0.34 0.00 0.10 0.00 0.00 66.02 65.73 3hja s SER 152 CO 0.00 -0.53 1.86 0.00 0.98 0.00 0.00 173.24 175.55 3hja h THR 154 N 1.02 1.30 -0.47 0.00 2.02 -1.95 -1.93 112.91 112.90 3hja h THR 154 Ca 0.38 -1.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.70 3hja h THR 154 Cb 0.15 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3hja h THR 154 CO -0.17 0.57 0.06 0.74 0.37 0.00 0.00 175.52 177.09 3hja h THR 155 N 0.55 1.22 0.00 3.16 2.02 -1.74 0.46 112.91 118.59 3hja h THR 155 Ca 0.00 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3hja h THR 155 Cb 1.17 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3hja h THR 155 CO 0.12 0.31 -0.26 0.78 0.37 0.00 0.00 175.52 176.84 3hja h ASN 156 N 0.71 0.00 0.07 4.18 2.35 -0.89 0.35 115.58 122.35 3hja h ASN 156 Ca 0.15 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3hja h ASN 156 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.74 3hja h ASN 156 CO 0.01 0.26 -0.56 0.00 -1.65 0.00 0.00 177.43 175.49 3hja h LEU 158 N -0.44 0.68 -0.42 0.00 5.85 -0.64 -3.33 115.31 116.99 3hja h LEU 158 Ca -0.09 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 57.89 3hja h LEU 158 Cb 1.38 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3hja h LEU 158 CO 0.11 1.34 0.27 0.00 -0.34 0.00 0.00 178.44 179.82 3hja h ALA 159 N 0.35 0.54 -0.27 1.25 0.00 -0.51 -0.58 119.26 120.03 3hja h ALA 159 Ca -0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3hja h ALA 159 Cb 1.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3hja h ALA 159 CO 0.15 -0.04 -0.16 -1.35 0.00 0.00 0.00 179.25 177.86 3hja h PRO 160 N 0.54 0.47 0.01 0.00 0.11 -1.76 -0.04 132.00 131.33 3hja h PRO 160 Ca 0.16 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3hja h PRO 160 Cb -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3hja h PRO 160 CO -0.05 0.62 -0.00 1.25 -0.21 0.00 0.00 178.00 179.60 3hja h LEU 161 N 0.43 -0.01 -0.69 2.35 5.85 -1.61 -2.51 115.31 119.12 3hja h LEU 161 Ca 0.08 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hja h LEU 161 Cb 0.53 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3hja h LEU 161 CO 0.03 0.10 0.34 0.00 -0.34 0.00 0.00 178.44 178.57 3hja h ALA 162 N 0.88 0.89 -0.19 1.25 0.00 -0.83 -1.84 119.26 119.43 3hja h ALA 162 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hja h ALA 162 Cb 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3hja h ALA 162 CO 0.00 0.45 -0.08 -0.22 0.00 0.00 0.00 179.25 179.40 3hja h LYS 163 N 0.96 -0.06 -0.37 0.00 3.64 -0.99 0.18 116.57 119.95 3hja h LYS 163 Ca 0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3hja h LYS 163 Cb 0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3hja h LYS 163 CO -0.03 -0.04 0.13 0.28 -2.27 0.00 0.00 179.45 177.52 3hja h VAL 164 N -0.06 1.20 -0.48 2.00 2.07 -1.26 -0.51 116.25 119.21 3hja h VAL 164 Ca 0.10 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 3hja h VAL 164 Cb 0.21 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3hja h VAL 164 CO -0.23 0.22 0.04 -0.07 0.02 0.00 0.00 177.57 177.55 3hja h LEU 165 N 0.44 0.80 -0.26 2.57 3.38 -1.11 -1.51 115.31 119.61 3hja h LEU 165 Ca 0.12 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hja h LEU 165 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hja h LEU 165 CO -0.01 0.89 0.06 -0.74 0.09 0.00 0.00 178.44 178.73 3hja h HIS 166 N 0.69 0.45 -0.82 1.13 2.76 -0.55 0.19 115.15 119.00 3hja h HIS 166 Ca 0.14 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3hja h HIS 166 Cb 0.45 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 3hja h HIS 166 CO 0.03 0.51 0.46 0.93 -1.30 0.00 0.00 177.93 178.57 3hja h GLU 167 N 0.25 1.13 0.17 5.26 5.08 -1.01 0.10 114.58 125.56 3hja h GLU 167 Ca 0.08 -0.12 -0.31 0.00 -1.00 0.00 0.00 59.36 58.01 3hja h GLU 167 Cb 0.30 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hja h GLU 167 CO 0.00 0.82 -1.51 0.77 -1.00 0.00 0.00 179.01 178.09 3hja h SER 168 N 1.14 0.57 0.00 1.42 0.02 -1.19 -3.43 113.55 112.08 3hja h SER 168 Ca 0.29 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3hja h SER 168 Cb 0.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3hja h SER 168 CO -0.05 1.69 -0.88 0.49 -1.14 0.00 0.00 176.83 176.94 3hja n PHE 169 N -3.77 0.00 -0.25 3.45 3.72 0.62 -5.01 117.46 116.22 3hja n PHE 169 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3hja n PHE 169 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 2.25 -3.20 3.62 1.37 0.00 0.35 -2.82 105.19 106.76 3hja n GLY 170 Ca 0.00 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.44 5.19 -0.10 -0.61 1.01 -1.26 -0.93 121.20 124.06 3hja s ILE 171 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 3hja s ILE 171 Cb 0.00 -3.43 -0.19 0.00 0.01 0.00 0.00 42.46 38.86 3hja s ILE 171 CO 0.00 0.34 0.70 -0.33 0.00 0.00 0.00 174.94 175.65 3hja h GLU 172 N 7.67 -0.04 -2.74 2.79 5.08 -1.39 -3.48 114.58 122.47 3hja h GLU 172 Ca -0.37 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3hja h GLU 172 Cb 1.17 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 3hja h GLU 172 CO 0.63 0.62 0.33 1.14 -1.00 0.00 0.00 179.01 180.73 3hja s GLN 173 N -2.54 1.48 -0.19 2.33 -2.07 -1.22 -4.88 119.66 112.58 3hja s GLN 173 Ca -0.14 -0.78 -0.23 0.00 -1.82 0.00 0.00 55.36 52.38 3hja s GLN 173 Cb -0.01 0.53 0.06 0.00 -1.09 0.00 0.00 33.01 32.50 3hja s GLN 173 CO 0.52 -0.67 0.62 0.20 -1.32 0.00 0.00 175.29 174.64 3hja s GLY 174 N -2.88 -0.47 0.14 2.60 0.00 -0.25 -1.12 107.32 105.34 3hja s GLY 174 Ca 0.10 1.61 0.10 0.00 0.00 0.00 0.00 44.72 46.53 3hja s GLY 174 CO 0.02 1.35 -0.24 1.08 0.00 0.00 0.00 173.10 175.31 3hja s LEU 175 N -0.03 2.36 0.07 0.66 1.43 -0.12 -2.35 118.68 120.70 3hja s LEU 175 Ca -0.03 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 3hja s LEU 175 Cb -0.04 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 3hja s LEU 175 CO 0.03 0.12 0.10 0.00 0.23 0.00 0.00 176.35 176.83 3hja s MET 176 N -2.25 0.75 -0.02 1.70 0.23 -0.52 -0.58 119.30 118.61 3hja s MET 176 Ca 0.14 -1.06 0.04 0.00 -1.03 0.00 0.00 55.69 53.78 3hja s MET 176 Cb -0.09 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.49 3hja s MET 176 CO 0.07 -0.20 -0.13 0.99 -2.03 0.00 0.00 175.02 173.71 3hja s THR 177 N -3.87 1.10 -0.22 3.16 2.01 -0.55 -1.80 115.64 115.46 3hja s THR 177 Ca 0.06 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 3hja s THR 177 Cb 0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 3hja s THR 177 CO -0.11 0.32 0.08 0.28 -0.69 0.00 0.00 174.62 174.50 3hja s THR 178 N -0.12 4.64 -0.37 -0.82 -1.32 -0.57 -0.28 115.64 116.79 3hja s THR 178 Ca 0.01 -0.07 -0.19 0.00 -1.21 0.00 0.00 61.69 60.23 3hja s THR 178 Cb -0.07 -3.14 0.01 0.00 -1.51 0.00 0.00 72.50 67.78 3hja s THR 178 CO 0.00 0.38 0.57 -0.69 -2.21 0.00 0.00 174.62 172.67 3hja s VAL 179 N 1.07 4.95 -0.03 5.08 1.01 -0.29 -0.51 120.40 131.67 3hja s VAL 179 Ca 0.05 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.37 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 0.03 -0.34 -0.11 -2.28 0.00 0.00 0.00 175.10 172.40 3hja s HIS 180 N 2.56 1.18 0.71 5.22 5.04 0.79 -0.83 115.29 129.94 3hja s HIS 180 Ca 0.21 -0.31 -0.16 0.00 -1.54 0.00 0.00 55.06 53.25 3hja s HIS 180 Cb -0.15 -0.82 0.00 0.00 0.04 0.00 0.00 32.58 31.65 3hja s HIS 180 CO 0.15 -0.12 1.02 0.00 -2.34 0.00 0.00 174.74 173.45 3hja n ALA 181 N 3.26 -0.03 -1.23 1.58 0.00 -1.18 -0.75 120.51 122.17 3hja n ALA 181 Ca -0.18 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 3hja n ALA 181 Cb 0.54 -2.15 0.10 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.76 2.51 0.26 0.00 -0.85 -0.76 -4.68 117.35 112.06 3hja s TYR 182 Ca 0.75 1.53 0.01 0.00 -0.52 0.00 0.00 57.07 58.84 3hja s TYR 182 Cb -0.35 -3.07 -0.04 0.00 0.38 0.00 0.00 41.96 38.87 3hja s TYR 182 CO 0.49 -1.92 0.13 0.95 -1.52 0.00 0.00 175.55 173.68 3hja s THR 183 N -2.90 0.33 -0.99 -3.49 -4.23 -1.26 -4.72 115.64 98.38 3hja s THR 183 Ca 0.62 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 3hja s THR 183 Cb -0.17 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3hja s THR 183 CO 0.56 0.00 1.24 0.59 -0.54 0.00 0.00 174.62 176.47 3hja n ASN 184 N -0.58 0.01 0.00 3.99 3.02 -1.26 -0.89 115.26 119.55 3hja n ASN 184 Ca 0.01 0.50 0.10 0.00 -0.03 0.00 0.00 54.58 55.16 3hja n ASN 184 Cb 0.66 -0.51 0.44 0.00 -0.61 0.00 0.00 39.78 39.76 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 -1.51 0.00 -3.47 6.41 2.03 -1.26 -4.85 116.55 113.90 3hja n ASP 185 Ca 0.02 0.50 -0.11 0.00 0.52 0.00 0.00 54.79 55.72 3hja n ASP 185 Cb 0.09 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.50 0.64 -4.98 -0.67 6.02 -0.07 -4.96 117.38 111.86 3hja n GLN 186 Ca 0.05 -1.56 -0.29 0.00 -0.01 0.00 0.00 57.00 55.19 3hja n GLN 186 Cb 0.24 -0.19 -0.15 0.00 1.02 0.00 0.00 30.24 31.16 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 -3.48 1.78 0.12 -1.09 1.81 -1.23 -5.02 118.95 111.85 3hja s ARG 187 Ca 0.32 -0.96 -0.11 0.00 -1.72 0.00 0.00 55.73 53.26 3hja s ARG 187 Cb -0.02 -1.84 -0.09 0.00 -0.45 0.00 0.00 34.95 32.55 3hja s ARG 187 CO 0.21 0.49 1.39 0.97 -0.68 0.00 0.00 175.30 177.68 3hja h ILE 188 N 4.39 1.28 -3.59 1.52 6.09 -1.93 0.49 117.51 125.75 3hja h ILE 188 Ca -0.43 -1.78 -0.35 0.00 -1.37 0.00 0.00 64.86 60.93 3hja h ILE 188 Cb 1.14 1.70 -0.14 0.00 0.47 0.00 0.00 36.82 39.98 3hja h ILE 188 CO 0.45 0.58 -0.64 -0.76 -3.07 0.00 0.00 178.15 174.71 3hja s LEU 189 N -8.62 1.94 0.06 2.19 1.43 -1.26 -4.04 118.68 110.37 3hja s LEU 189 Ca -0.10 -1.29 -0.33 0.00 -1.03 0.00 0.00 54.13 51.38 3hja s LEU 189 Cb 0.10 -0.10 -0.12 0.00 0.03 0.00 0.00 46.19 46.10 3hja s LEU 189 CO 0.89 -0.62 1.79 0.47 0.23 0.00 0.00 176.35 179.10 3hja n ASP 190 N -0.41 3.59 -3.64 2.29 8.00 -1.26 -4.27 116.55 120.85 3hja n ASP 190 Ca -0.03 1.01 -0.15 0.00 0.71 0.00 0.00 54.79 56.32 3hja n ASP 190 Cb 0.65 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.22 3hja n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hja s LEU 191 N 2.73 -0.05 0.23 0.64 2.96 0.05 -4.96 118.68 120.28 3hja s LEU 191 Ca 0.85 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 55.07 3hja s LEU 191 Cb -0.60 1.98 -0.15 0.00 0.50 0.00 0.00 46.19 47.92 3hja s LEU 191 CO 0.42 -0.46 1.03 -2.65 -1.32 0.00 0.00 176.35 173.38 3hja n PRO 192 N 1.47 1.13 -3.69 0.98 -0.02 -1.26 -4.47 135.00 129.13 3hja n PRO 192 Ca -0.19 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 3hja n PRO 192 Cb 0.56 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.66 -0.44 0.47 6.00 2.46 -1.26 -4.92 115.29 116.94 3hja s HIS 193 Ca 0.66 0.94 0.12 0.00 0.47 0.00 0.00 55.06 57.25 3hja s HIS 193 Cb -0.79 0.20 1.07 0.00 -0.13 0.00 0.00 32.58 32.93 3hja s HIS 193 CO 0.56 -0.36 2.10 0.66 -2.47 0.00 0.00 174.74 175.23 3hja h SER 194 N 4.49 0.21 -3.65 9.88 4.64 -1.97 -3.36 113.55 123.79 3hja h SER 194 Ca -0.28 -0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.37 3hja h SER 194 Cb 1.17 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 3hja h SER 194 CO 0.30 0.16 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.54 3hja s ASP 195 N -6.90 6.20 0.40 4.97 -1.08 -1.26 -4.96 116.67 114.04 3hja s ASP 195 Ca -0.06 -0.23 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 3hja s ASP 195 Cb 0.17 -2.21 1.16 0.00 -1.46 0.00 0.00 42.92 40.59 3hja s ASP 195 CO 0.70 -0.37 1.84 -0.07 0.52 0.00 0.00 175.17 177.79 3hja h LEU 196 N 8.81 0.00 0.01 -1.34 3.38 -2.00 -1.55 115.31 122.62 3hja h LEU 196 Ca -0.29 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3hja h LEU 196 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hja h LEU 196 CO 0.71 0.00 -0.35 0.03 0.09 0.00 0.00 178.44 178.92 3hja h ARG 197 N 0.00 0.22 0.00 1.13 2.47 -1.92 -3.30 114.38 112.97 3hja h ARG 197 Ca 0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3hja h ARG 197 Cb 0.44 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3hja h ARG 197 CO 0.00 0.99 0.00 0.54 0.56 0.00 0.00 179.97 182.06 3hja n ARG 198 N -4.42 0.04 0.13 0.04 1.74 -0.72 -2.32 116.66 111.16 3hja n ARG 198 Ca -0.10 0.22 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 3hja n ARG 198 Cb 0.57 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 31.01 3hja n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hja n ALA 199 N -1.46 1.48 -2.89 7.54 0.00 -0.67 -3.48 120.51 121.04 3hja n ALA 199 Ca 0.04 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 3hja n ALA 199 Cb 0.17 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 3hja n ALA 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hja s ARG 200 N -3.36 3.37 -0.63 0.00 1.81 -0.98 -0.77 118.95 118.39 3hja s ARG 200 Ca 0.02 -0.38 -0.39 0.00 -1.72 0.00 0.00 55.73 53.26 3hja s ARG 200 Cb 0.08 -3.04 -0.19 0.00 -0.45 0.00 0.00 34.95 31.35 3hja s ARG 200 CO 0.33 0.66 2.31 0.00 -0.68 0.00 0.00 175.30 177.91 3hja n ALA 201 N 0.84 0.33 0.19 2.13 0.00 -1.26 -4.31 120.51 118.42 3hja n ALA 201 Ca -0.10 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.39 3hja n ALA 201 Cb 0.52 -2.20 0.36 0.00 0.00 0.00 0.00 19.45 18.14 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 10.34 1.20 -0.17 0.00 0.00 -1.03 -2.53 119.26 127.06 3hja h ALA 202 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hja h ALA 202 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hja h ALA 202 CO 1.17 0.48 0.00 0.00 0.00 0.00 0.00 179.25 180.90 3hja n ALA 203 N -2.39 2.51 0.24 0.00 0.00 -1.26 -4.09 120.51 115.52 3hja n ALA 203 Ca -0.01 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.93 3hja n ALA 203 Cb 0.45 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 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 0.47 0.25 -3.91 0.00 4.77 -0.95 -4.78 117.00 112.84 3hja n LEU 204 Ca 0.17 -0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 3hja n LEU 204 Cb 0.37 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3hja n LEU 204 CO 0.14 0.06 -0.10 -0.44 -1.33 0.00 0.00 177.39 175.71 3hja s SER 205 N -3.29 0.13 -0.11 -1.43 0.01 -1.24 -5.07 113.70 102.70 3hja s SER 205 Ca -0.02 -0.76 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 3hja s SER 205 Cb 0.10 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 3hja s SER 205 CO 0.63 -0.76 0.85 -0.63 0.41 0.00 0.00 173.24 173.73 3hja s ILE 206 N -3.90 4.91 -0.33 1.44 1.01 -1.26 -4.28 121.20 118.79 3hja s ILE 206 Ca 0.09 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.46 3hja s ILE 206 Cb 0.05 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.45 3hja s ILE 206 CO -0.08 0.10 0.09 -0.63 0.00 0.00 0.00 174.94 174.43 3hja s ILE 207 N 1.60 1.46 0.50 2.92 1.01 0.04 -4.96 121.20 123.77 3hja s ILE 207 Ca 0.42 -1.85 -0.23 0.00 0.00 0.00 0.00 60.65 58.99 3hja s ILE 207 Cb -0.18 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 3hja s ILE 207 CO 0.17 -0.66 1.37 -2.84 0.00 0.00 0.00 174.94 172.98 3hja s PRO 208 N 1.25 3.40 -0.05 2.79 0.02 -1.26 -0.80 135.00 140.36 3hja s PRO 208 Ca 0.11 2.27 -0.26 0.00 0.02 0.00 0.00 61.00 63.14 3hja s PRO 208 Cb -0.18 -2.43 0.06 0.00 0.02 0.00 0.00 34.50 31.97 3hja s PRO 208 CO -0.17 -1.00 0.57 -0.08 -0.33 0.00 0.00 177.00 175.99 3hja s THR 209 N -1.28 0.02 0.58 0.99 -1.32 -0.00 -4.77 115.64 109.86 3hja s THR 209 Ca 0.67 -0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.84 3hja s THR 209 Cb -0.41 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 3hja s THR 209 CO 0.50 -0.08 1.09 -0.94 -2.21 0.00 0.00 174.62 172.98 3hja s SER 210 N -1.16 5.65 -0.03 8.08 1.04 -1.26 -1.15 113.70 124.87 3hja s SER 210 Ca -0.11 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 3hja s SER 210 Cb -0.02 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3hja s SER 210 CO 0.08 -1.26 0.09 0.28 0.98 0.00 0.00 173.24 173.41 3hja s THR 211 N -2.19 0.00 -2.66 2.02 -1.32 -1.26 -4.74 115.64 105.50 3hja s THR 211 Ca 0.67 -0.03 0.24 0.00 -1.21 0.00 0.00 61.69 61.36 3hja s THR 211 Cb -0.19 -0.15 0.35 0.00 -1.51 0.00 0.00 72.50 71.00 3hja s THR 211 CO 0.33 -0.02 1.36 0.61 -2.21 0.00 0.00 174.62 174.70 3hja n GLY 212 N 2.97 1.48 0.32 6.08 0.00 -1.26 -4.58 105.19 110.19 3hja n GLY 212 Ca -0.13 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 4.59 1.98 0.15 4.61 0.00 -1.95 0.31 119.26 128.94 3hja h ALA 213 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 3hja h ALA 213 Cb 0.99 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.74 3hja h ALA 213 CO 0.00 -0.04 -1.30 0.00 0.00 0.00 0.00 179.25 177.91 3hja h ALA 214 N 1.80 -0.02 -0.84 0.00 0.00 -1.88 -3.20 119.26 115.12 3hja h ALA 214 Ca 0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hja h ALA 214 Cb 0.26 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hja h ALA 214 CO -0.03 0.73 0.48 0.87 0.00 0.00 0.00 179.25 181.29 3hja h LYS 215 N 0.22 1.15 0.00 0.00 1.57 -1.48 -3.00 116.57 115.03 3hja h LYS 215 Ca -0.20 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3hja h LYS 215 Cb 1.98 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.06 3hja h LYS 215 CO 0.24 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.95 3hja h ALA 216 N 1.36 1.00 -0.02 3.86 0.00 -0.95 -1.16 119.26 123.35 3hja h ALA 216 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hja h ALA 216 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hja h ALA 216 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.48 3hja h VAL 217 N 0.00 1.02 0.00 0.00 2.07 -1.53 -1.00 116.25 116.81 3hja h VAL 217 Ca 0.00 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3hja h VAL 217 Cb 0.13 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3hja h VAL 217 CO 0.00 0.02 -0.09 1.23 0.02 0.00 0.00 177.57 178.75 3hja h GLY 218 N 0.08 0.00 1.53 2.17 0.00 -1.37 0.39 103.07 105.87 3hja h GLY 218 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 3hja h GLY 218 CO 0.00 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.53 3hja h LEU 219 N 0.00 0.55 0.00 3.11 3.38 -1.34 -3.24 115.31 117.76 3hja h LEU 219 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hja h LEU 219 Cb 0.34 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hja h LEU 219 CO 0.01 0.90 -1.62 1.33 0.09 0.00 0.00 178.44 179.15 3hja n VAL 220 N -4.02 0.00 -3.74 1.22 0.24 -0.86 -4.64 118.33 106.53 3hja n VAL 220 Ca -0.02 -0.34 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 3hja n VAL 220 Cb 0.52 0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.01 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 -3.96 3.29 0.48 1.34 1.43 0.13 -4.55 118.68 116.85 3hja s LEU 221 Ca -0.04 -3.10 0.18 0.00 -1.03 0.00 0.00 54.13 50.13 3hja s LEU 221 Cb 0.11 -1.18 1.19 0.00 0.03 0.00 0.00 46.19 46.34 3hja s LEU 221 CO 0.69 -0.19 2.02 -0.65 0.23 0.00 0.00 176.35 178.44 3hja h PRO 222 N 6.13 0.19 0.00 1.29 0.11 -1.79 0.21 132.00 138.14 3hja h PRO 222 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3hja h PRO 222 Cb 0.87 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3hja h PRO 222 CO 0.56 0.13 0.03 0.93 -0.21 0.00 0.00 178.00 179.43 3hja h GLU 223 N 0.20 0.00 -0.41 1.05 5.08 -1.94 -2.06 114.58 116.50 3hja h GLU 223 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hja h GLU 223 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hja h GLU 223 CO -0.04 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.25 3hja n LEU 224 N -2.87 3.46 -4.72 1.33 4.77 0.06 -4.94 117.00 114.08 3hja n LEU 224 Ca -0.03 -2.26 -0.42 0.00 -0.03 0.00 0.00 56.01 53.28 3hja n LEU 224 Cb 0.09 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3hja n LEU 224 CO 0.17 0.76 1.34 1.17 -1.33 0.00 0.00 177.39 179.50 3hja n LYS 225 N 0.51 2.73 -0.88 3.23 4.81 -0.78 -1.90 118.16 125.88 3hja n LYS 225 Ca 0.17 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 3hja n LYS 225 Cb 0.60 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 3.62 0.51 0.00 3.14 0.00 -1.26 -4.87 105.19 106.33 3hja n GLY 226 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.82 0.71 -4.34 1.61 5.02 -0.80 -4.97 118.16 113.57 3hja n LYS 227 Ca 0.00 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 3hja n LYS 227 Cb 0.07 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 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 -3.11 2.03 0.31 -0.35 1.43 -1.26 -1.09 118.68 116.64 3hja s LEU 228 Ca 0.05 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3hja s LEU 228 Cb 0.14 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.92 3hja s LEU 228 CO 0.78 0.10 0.46 0.21 0.23 0.00 0.00 176.35 178.13 3hja s ASN 229 N -0.26 0.55 0.00 2.29 3.84 -0.99 -3.47 114.94 116.90 3hja s ASN 229 Ca 0.03 -1.32 0.00 0.00 0.21 0.00 0.00 52.86 51.78 3hja s ASN 229 Cb -0.04 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.29 3hja s ASN 229 CO -0.00 -1.23 0.00 0.61 -2.79 0.00 0.00 177.10 173.68 3hja n GLY 230 N -0.49 -1.24 3.33 1.21 0.00 -1.26 -1.44 105.19 105.29 3hja n GLY 230 Ca -0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.77 0.00 0.09 2.61 -1.32 -0.75 -4.42 115.64 109.08 3hja s THR 231 Ca 0.00 -1.81 0.08 0.00 -1.21 0.00 0.00 61.69 58.75 3hja s THR 231 Cb 0.00 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 3hja s THR 231 CO 0.00 0.00 -0.21 -0.55 -2.21 0.00 0.00 174.62 171.65 3hja s SER 232 N -3.12 2.55 -0.22 8.08 0.15 -0.30 -1.51 113.70 119.33 3hja s SER 232 Ca 0.34 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3hja s SER 232 Cb 0.04 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.25 3hja s SER 232 CO 0.11 0.09 -0.06 -0.04 1.20 0.00 0.00 173.24 174.54 3hja s MET 233 N -1.72 1.64 -0.06 5.44 -1.94 0.33 -0.82 119.30 122.17 3hja s MET 233 Ca 0.07 -0.87 -0.28 0.00 -1.71 0.00 0.00 55.69 52.90 3hja s MET 233 Cb -0.10 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 3hja s MET 233 CO 0.04 -0.54 0.90 1.03 -0.01 0.00 0.00 175.02 176.44 3hja s ARG 234 N 1.45 4.47 0.24 2.03 1.81 0.02 -0.15 118.95 128.82 3hja s ARG 234 Ca -0.04 1.24 0.04 0.00 -1.72 0.00 0.00 55.73 55.25 3hja s ARG 234 Cb -0.18 -3.49 -0.05 0.00 -0.45 0.00 0.00 34.95 30.78 3hja s ARG 234 CO -0.07 -0.12 -0.00 0.14 -0.68 0.00 0.00 175.30 174.57 3hja s VAL 235 N 1.32 1.07 -1.38 3.52 -7.23 0.07 -0.78 120.40 116.99 3hja s VAL 235 Ca 0.46 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3hja s VAL 235 Cb -0.19 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 3hja s VAL 235 CO 0.22 -0.31 2.59 -2.65 -0.31 0.00 0.00 175.10 174.64 3hja n PRO 236 N -0.44 3.06 -4.49 4.82 -0.02 -1.26 -2.86 135.00 133.81 3hja n PRO 236 Ca -0.05 -2.04 -0.22 0.00 -2.02 0.00 0.00 63.50 59.16 3hja n PRO 236 Cb 0.64 -2.78 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.78 1.30 -0.08 -1.45 -7.23 -1.26 -5.01 120.40 109.45 3hja s VAL 237 Ca 0.58 -1.01 0.15 0.00 -1.81 0.00 0.00 61.98 59.89 3hja s VAL 237 Cb 0.15 -1.15 0.06 0.00 0.56 0.00 0.00 36.38 36.00 3hja s VAL 237 CO -0.05 0.12 1.49 1.55 -0.31 0.00 0.00 175.10 177.90 3hja h PRO 238 N 5.03 0.00 -3.10 4.82 0.13 -1.87 -2.03 132.00 134.98 3hja h PRO 238 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3hja h PRO 238 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 3hja h PRO 238 CO 0.45 0.51 0.15 -0.08 -0.23 0.00 0.00 178.00 178.79 3hja s THR 239 N -3.07 0.01 0.00 1.56 -1.32 -1.26 -4.67 115.64 106.90 3hja s THR 239 Ca 0.03 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 3hja s THR 239 Cb 0.08 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3hja s THR 239 CO 0.74 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.69 3hja n GLY 240 N -0.36 1.80 3.37 6.08 0.00 -1.26 -4.84 105.19 109.98 3hja n GLY 240 Ca -0.15 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 0.04 -0.11 1.61 0.01 -0.04 -3.11 113.70 112.10 3hja s SER 241 Ca 0.00 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.18 3hja s SER 241 Cb 0.00 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.73 3hja s SER 241 CO 0.00 -0.94 0.26 -0.51 0.41 0.00 0.00 173.24 172.46 3hja s ILE 242 N -4.03 -0.03 -0.05 1.44 2.07 -0.01 -1.02 121.20 119.56 3hja s ILE 242 Ca 0.24 0.12 -0.22 0.00 -1.41 0.00 0.00 60.65 59.38 3hja s ILE 242 Cb 0.03 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 3hja s ILE 242 CO 0.05 0.05 0.64 -0.69 -1.91 0.00 0.00 174.94 173.08 3hja s VAL 243 N 1.09 5.01 -0.45 4.00 1.01 0.12 -1.14 120.40 130.05 3hja s VAL 243 Ca -0.08 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3hja s VAL 243 Cb -0.09 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.44 3hja s VAL 243 CO -0.07 0.32 0.21 -0.62 0.00 0.00 0.00 175.10 174.94 3hja s ASP 244 N 0.43 4.98 -0.27 3.32 2.15 0.62 -0.84 116.67 127.05 3hja s ASP 244 Ca 0.34 -2.37 -0.08 0.00 0.43 0.00 0.00 52.55 50.86 3hja s ASP 244 Cb -0.18 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.67 3hja s ASP 244 CO 0.17 -0.42 0.10 -0.22 -0.17 0.00 0.00 175.17 174.63 3hja s LEU 245 N 0.63 3.65 -0.31 -1.34 2.96 0.74 -1.48 118.68 123.52 3hja s LEU 245 Ca 0.12 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3hja s LEU 245 Cb -0.22 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3hja s LEU 245 CO -0.04 -0.07 0.10 -0.89 -1.32 0.00 0.00 176.35 174.12 3hja s THR 246 N 1.62 4.00 0.06 3.68 2.01 0.26 -0.05 115.64 127.23 3hja s THR 246 Ca 0.06 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.32 3hja s THR 246 Cb -0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3hja s THR 246 CO 0.05 -0.02 -0.21 0.68 -0.69 0.00 0.00 174.62 174.43 3hja s VAL 247 N 1.48 1.68 -0.41 3.82 -7.23 0.66 -0.94 120.40 119.46 3hja s VAL 247 Ca 0.01 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3hja s VAL 247 Cb -0.18 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.29 3hja s VAL 247 CO 0.03 0.11 0.43 -1.58 -0.31 0.00 0.00 175.10 173.78 3hja s GLN 248 N -1.43 3.19 0.33 4.82 2.00 -0.27 -0.96 119.66 127.34 3hja s GLN 248 Ca 0.07 -0.68 -0.03 0.00 -2.00 0.00 0.00 55.36 52.72 3hja s GLN 248 Cb -0.09 -3.94 -0.04 0.00 0.80 0.00 0.00 33.01 29.74 3hja s GLN 248 CO 0.03 -0.79 0.57 -0.51 -0.50 0.00 0.00 175.29 174.08 3hja s LEU 249 N 2.13 4.00 0.19 3.68 1.43 0.10 -1.02 118.68 129.20 3hja s LEU 249 Ca 0.12 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 3hja s LEU 249 Cb -0.17 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3hja s LEU 249 CO 0.13 -0.27 1.41 0.11 0.23 0.00 0.00 176.35 177.96 3hja h LYS 250 N 1.18 0.00 -6.26 1.70 1.57 -0.87 -3.41 116.57 110.48 3hja h LYS 250 Ca -0.48 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.77 3hja h LYS 250 Cb 1.20 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 3hja h LYS 250 CO 0.64 0.80 1.16 0.21 -0.57 0.00 0.00 179.45 181.69 3hja s LYS 251 N -3.00 3.06 0.00 3.15 2.20 -1.15 -4.88 119.74 119.12 3hja s LYS 251 Ca 0.01 0.27 0.25 0.00 -0.36 0.00 0.00 55.97 56.15 3hja s LYS 251 Cb 0.10 -4.22 1.13 0.00 -1.51 0.00 0.00 37.83 33.33 3hja s LYS 251 CO 0.79 -2.25 1.82 1.63 -0.36 0.00 0.00 175.35 176.98 3hja n LYS 252 N 9.07 0.09 -0.25 4.03 4.76 -1.26 -2.72 118.16 131.88 3hja n LYS 252 Ca 0.12 0.06 0.09 0.00 -2.87 0.00 0.00 58.31 55.71 3hja n LYS 252 Cb 0.50 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.38 3hja n LYS 252 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3hja n ASP 253 N -1.45 3.02 -4.76 4.39 5.75 -1.26 -2.43 116.55 119.81 3hja n ASP 253 Ca 0.08 -3.08 -0.39 0.00 -0.01 0.00 0.00 54.79 51.39 3hja n ASP 253 Cb 0.27 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.89 3hja n ASP 253 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hja s VAL 254 N -2.87 2.34 0.35 2.12 0.11 -1.10 -5.00 120.40 116.34 3hja s VAL 254 Ca 0.37 0.28 0.09 0.00 -2.93 0.00 0.00 61.98 59.79 3hja s VAL 254 Cb 0.31 -3.16 -0.06 0.00 -1.53 0.00 0.00 36.38 31.94 3hja s VAL 254 CO 0.05 0.03 -0.01 0.42 -3.33 0.00 0.00 175.10 172.26 3hja s THR 255 N -1.27 2.46 0.18 5.04 -4.23 -1.26 -4.72 115.64 111.84 3hja s THR 255 Ca 0.62 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 3hja s THR 255 Cb -0.40 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 70.74 3hja s THR 255 CO 0.50 -0.18 1.80 0.50 -0.54 0.00 0.00 174.62 176.70 3hja h LYS 256 N 1.85 0.54 -0.82 3.99 3.64 -1.94 -0.77 116.57 123.06 3hja h LYS 256 Ca -0.43 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3hja h LYS 256 Cb 1.25 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 3hja h LYS 256 CO 0.69 0.36 0.42 0.93 -2.27 0.00 0.00 179.45 179.58 3hja h GLU 257 N 0.55 1.16 -0.31 1.90 5.08 -1.97 -0.16 114.58 120.83 3hja h GLU 257 Ca 0.23 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3hja h GLU 257 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hja h GLU 257 CO -0.14 0.87 -0.03 0.93 -1.00 0.00 0.00 179.01 179.64 3hja h GLU 258 N 1.14 0.57 -0.21 2.33 5.08 -1.89 -0.09 114.58 121.51 3hja h GLU 258 Ca 0.28 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hja h GLU 258 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hja h GLU 258 CO -0.04 0.73 0.14 0.82 -1.00 0.00 0.00 179.01 179.66 3hja h ILE 259 N 0.35 1.06 -0.57 3.13 2.04 -0.88 -1.85 117.51 120.79 3hja h ILE 259 Ca 0.08 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3hja h ILE 259 Cb 0.50 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3hja h ILE 259 CO 0.02 0.05 0.06 0.78 0.00 0.00 0.00 178.15 179.06 3hja h ASN 260 N 0.28 0.89 -0.38 1.72 2.35 -1.00 -2.29 115.58 117.15 3hja h ASN 260 Ca 0.08 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3hja h ASN 260 Cb -0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3hja h ASN 260 CO -0.02 0.92 0.19 -1.28 -1.65 0.00 0.00 177.43 175.59 3hja h SER 261 N 0.87 0.49 0.24 5.81 0.87 -0.82 0.18 113.55 121.19 3hja h SER 261 Ca 0.17 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 3hja h SER 261 Cb 0.43 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3hja h SER 261 CO 0.01 0.47 -0.33 -0.37 -0.53 0.00 0.00 176.83 176.09 3hja h VAL 262 N 0.48 1.26 -0.12 2.23 -1.51 -1.15 -1.47 116.25 115.96 3hja h VAL 262 Ca 0.13 -1.24 -0.17 0.00 -1.23 0.00 0.00 66.70 64.19 3hja h VAL 262 Cb 0.10 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 30.84 3hja h VAL 262 CO -0.02 0.37 -0.60 -0.07 -1.23 0.00 0.00 177.57 176.02 3hja h LEU 263 N 0.12 0.74 -0.06 4.19 3.38 -1.14 -0.55 115.31 121.99 3hja h LEU 263 Ca 0.02 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 3hja h LEU 263 Cb 0.64 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hja h LEU 263 CO 0.05 1.26 0.04 -0.09 0.09 0.00 0.00 178.44 179.78 3hja h ARG 264 N 0.27 0.08 -0.54 1.13 2.43 -0.91 -1.82 114.38 115.03 3hja h ARG 264 Ca -0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hja h ARG 264 Cb 1.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3hja h ARG 264 CO 0.12 0.09 0.36 0.87 -1.51 0.00 0.00 179.97 179.90 3hja h LYS 265 N 0.05 0.71 -0.95 0.20 1.57 -1.27 -2.61 116.57 114.26 3hja h LYS 265 Ca 0.02 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3hja h LYS 265 Cb 0.02 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 3hja h LYS 265 CO -0.00 0.47 0.62 0.00 -0.57 0.00 0.00 179.45 179.97 3hja h ALA 266 N 1.20 1.41 0.00 3.86 0.00 -0.96 -2.23 119.26 122.54 3hja h ALA 266 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hja h ALA 266 Cb -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3hja h ALA 266 CO -0.04 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3hja h SER 267 N 1.17 0.00 0.03 0.00 4.64 -0.94 -1.75 113.55 116.70 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hja h SER 267 CO -0.13 0.00 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.04 3hja n GLU 268 N -2.63 1.58 -2.72 4.77 1.02 -0.84 -3.93 120.64 117.88 3hja n GLU 268 Ca 0.00 -1.16 -0.33 0.00 -0.02 0.00 0.00 57.16 55.66 3hja n GLU 268 Cb 0.18 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.22 4.49 0.31 2.62 -4.23 -0.66 -4.84 115.64 111.11 3hja s THR 269 Ca 0.28 1.30 0.03 0.00 -1.18 0.00 0.00 61.69 62.12 3hja s THR 269 Cb 0.20 -3.65 0.29 0.00 1.34 0.00 0.00 72.50 70.68 3hja s THR 269 CO 0.42 -0.43 1.88 -0.65 -0.54 0.00 0.00 174.62 175.30 3hja h PRO 270 N 1.60 0.89 -0.77 3.99 0.11 -1.93 0.11 132.00 136.00 3hja h PRO 270 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3hja h PRO 270 Cb 1.18 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3hja h PRO 270 CO 0.62 0.59 0.51 0.93 -0.21 0.00 0.00 178.00 180.44 3hja h GLU 271 N 0.92 0.94 0.00 1.05 3.07 -1.93 -3.33 114.58 115.30 3hja h GLU 271 Ca 0.43 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3hja h GLU 271 Cb 0.41 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3hja h GLU 271 CO -0.19 0.62 0.00 1.28 -1.40 0.00 0.00 179.01 179.32 3hja n LEU 272 N -4.44 0.68 -4.72 1.33 4.77 -0.77 -4.53 117.00 109.32 3hja n LEU 272 Ca 0.10 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.82 3hja n LEU 272 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3hja n LEU 272 CO 0.35 0.17 1.36 -0.54 -1.33 0.00 0.00 177.39 177.41 3hja s LYS 273 N -0.32 4.14 0.00 3.23 -0.14 0.30 -0.58 119.74 126.37 3hja s LYS 273 Ca 0.00 2.57 0.00 0.00 -1.36 0.00 0.00 55.97 57.18 3hja s LYS 273 Cb 0.00 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 3hja s LYS 273 CO 0.00 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.26 3hja n GLY 274 N 3.98 2.43 0.39 -3.33 0.00 -1.26 -4.81 105.19 102.59 3hja n GLY 274 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 1.39 -3.65 -0.61 5.41 0.25 -4.13 119.36 116.02 3hja n ILE 275 Ca 0.00 0.18 -0.37 0.00 1.00 0.00 0.00 62.75 63.56 3hja n ILE 275 Cb 0.00 -2.08 -0.11 0.00 -0.71 0.00 0.00 39.64 36.74 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 -7.58 3.97 0.41 1.39 2.96 -0.17 -0.23 118.68 119.44 3hja s LEU 276 Ca -0.21 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 3hja s LEU 276 Cb 0.03 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3hja s LEU 276 CO 0.30 0.00 0.38 -0.83 -1.32 0.00 0.00 176.35 174.88 3hja s GLY 277 N 1.44 2.13 -0.07 7.98 0.00 0.27 -4.47 107.32 114.60 3hja s GLY 277 Ca 0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 3hja s GLY 277 CO 0.07 -1.69 0.16 -0.47 0.00 0.00 0.00 173.10 171.18 3hja s TYR 278 N -2.46 -0.19 0.08 1.90 5.04 -1.26 -1.18 117.35 119.28 3hja s TYR 278 Ca 0.48 0.48 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 3hja s TYR 278 Cb -0.03 0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.25 3hja s TYR 278 CO 0.28 -0.13 -0.08 -0.08 -1.34 0.00 0.00 175.55 174.20 3hja s THR 279 N 0.59 0.74 -0.16 4.34 -1.32 0.06 -4.91 115.64 114.98 3hja s THR 279 Ca -0.04 -1.55 0.08 0.00 -1.21 0.00 0.00 61.69 58.97 3hja s THR 279 Cb -0.06 -1.22 0.17 0.00 -1.51 0.00 0.00 72.50 69.88 3hja s THR 279 CO -0.03 -0.59 1.11 -0.62 -2.21 0.00 0.00 174.62 172.28 3hja n GLU 280 N 0.67 2.44 -2.89 7.08 1.02 -1.26 -0.25 120.64 127.45 3hja n GLU 280 Ca -0.17 -2.01 -0.38 0.00 -0.02 0.00 0.00 57.16 54.59 3hja n GLU 280 Cb 0.58 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.66 7.34 -1.35 1.62 1.11 -1.26 -4.74 116.67 117.73 3hja s ASP 281 Ca 0.16 1.73 -0.16 0.00 0.18 0.00 0.00 52.55 54.45 3hja s ASP 281 Cb 0.13 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.65 3hja s ASP 281 CO 0.03 0.05 1.90 -0.81 1.18 0.00 0.00 175.17 177.52 3hja n PRO 282 N 0.95 3.10 -2.66 8.23 -0.04 -1.26 -4.90 135.00 138.42 3hja n PRO 282 Ca -0.01 -3.08 -0.22 0.00 -0.04 0.00 0.00 63.50 60.14 3hja n PRO 282 Cb 0.49 -3.38 0.08 0.00 -0.04 0.00 0.00 33.50 30.65 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 3.59 2.31 0.32 0.52 -4.36 -1.26 -5.13 121.20 117.18 3hja s ILE 283 Ca 0.50 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 3hja s ILE 283 Cb 0.07 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 3hja s ILE 283 CO 0.01 0.00 0.13 0.68 0.24 0.00 0.00 174.94 176.01 3hja s VAL 284 N -2.96 0.50 0.32 8.37 -7.23 -1.26 -5.06 120.40 113.08 3hja s VAL 284 Ca 0.63 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3hja s VAL 284 Cb -0.07 -2.54 0.29 0.00 0.56 0.00 0.00 36.38 34.62 3hja s VAL 284 CO 0.42 0.00 1.91 0.77 -0.31 0.00 0.00 175.10 177.89 3hja h SER 285 N 2.16 0.83 -0.59 4.85 4.64 -1.96 -1.27 113.55 122.20 3hja h SER 285 Ca -0.35 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.13 3hja h SER 285 Cb 1.25 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3hja h SER 285 CO 0.56 0.52 0.42 0.28 -0.87 0.00 0.00 176.83 177.73 3hja h SER 286 N 0.94 0.11 0.97 4.97 0.02 -1.97 -1.79 113.55 116.79 3hja h SER 286 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3hja h SER 286 Cb 0.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3hja h SER 286 CO -0.15 0.06 0.00 0.44 -1.14 0.00 0.00 176.83 176.03 3hja h ASP 287 N 0.12 0.00 -0.02 3.07 3.32 -1.64 -2.80 116.42 118.47 3hja h ASP 287 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3hja h ASP 287 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3hja h ASP 287 CO -0.03 0.00 -0.33 2.30 -1.72 0.00 0.00 179.24 179.46 3hja n ILE 288 N -2.41 0.00 -1.68 0.35 -6.64 -0.68 -4.87 119.36 103.44 3hja n ILE 288 Ca 0.03 -0.34 -0.48 0.00 -1.77 0.00 0.00 62.75 60.19 3hja n ILE 288 Cb 0.29 1.29 -0.05 0.00 -1.44 0.00 0.00 39.64 39.74 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 0.28 2.06 -0.87 6.28 4.81 -1.06 -0.80 118.16 128.87 3hja n LYS 289 Ca 0.10 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3hja n LYS 289 Cb 0.46 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.95 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 4.01 0.77 3.73 3.14 0.00 -1.26 -5.02 105.19 110.56 3hja n GLY 290 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 7.28 0.00 1.61 3.84 0.02 -4.97 114.94 120.19 3hja s ASN 291 Ca 0.00 2.01 0.27 0.00 0.21 0.00 0.00 52.86 55.35 3hja s ASN 291 Cb 0.00 -2.60 0.90 0.00 -0.55 0.00 0.00 41.25 39.01 3hja s ASN 291 CO 0.00 -0.23 1.66 -1.54 -2.79 0.00 0.00 177.10 174.20 3hja n SER 292 N 2.71 0.84 -4.77 -4.21 3.41 -1.26 -3.26 113.62 107.07 3hja n SER 292 Ca 0.04 -0.77 -0.33 0.00 -0.26 0.00 0.00 58.87 57.55 3hja n SER 292 Cb 0.47 0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.50 2.61 -0.16 7.33 3.76 -1.26 -4.58 115.29 120.49 3hja s HIS 293 Ca 0.25 1.55 0.15 0.00 -0.15 0.00 0.00 55.06 56.87 3hja s HIS 293 Cb 0.19 -3.14 0.05 0.00 1.11 0.00 0.00 32.58 30.80 3hja s HIS 293 CO 0.51 -1.71 1.38 0.77 -0.85 0.00 0.00 174.74 174.84 3hja h SER 294 N -0.23 0.00 -1.84 1.40 0.02 -0.80 -3.39 113.55 108.71 3hja h SER 294 Ca -0.46 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 3hja h SER 294 Cb 1.24 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.58 3hja h SER 294 CO 0.53 0.49 -0.09 -0.55 -1.14 0.00 0.00 176.83 176.07 3hja s SER 295 N -6.37 -1.09 -0.28 3.07 0.15 -0.76 -3.47 113.70 104.94 3hja s SER 295 Ca 0.03 1.46 0.03 0.00 0.70 0.00 0.00 55.95 58.16 3hja s SER 295 Cb 0.08 2.22 0.08 0.00 -1.71 0.00 0.00 66.02 66.68 3hja s SER 295 CO 0.75 -0.21 -0.03 -0.63 1.20 0.00 0.00 173.24 174.32 3hja s ILE 296 N 2.84 1.96 0.08 6.45 1.01 0.28 0.97 121.20 134.79 3hja s ILE 296 Ca -0.05 -1.75 -0.31 0.00 0.00 0.00 0.00 60.65 58.54 3hja s ILE 296 Cb -0.11 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 3hja s ILE 296 CO -0.19 -0.28 1.62 -0.69 0.00 0.00 0.00 174.94 175.40 3hja s VAL 297 N 1.14 3.05 -0.85 2.92 1.01 -0.32 -0.38 120.40 126.97 3hja s VAL 297 Ca -0.01 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 3hja s VAL 297 Cb -0.19 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 32.93 3hja s VAL 297 CO -0.08 0.00 1.16 -0.62 0.00 0.00 0.00 175.10 175.57 3hja s ASP 298 N 2.19 6.42 0.37 3.32 -1.08 -0.13 -0.76 116.67 127.00 3hja s ASP 298 Ca 0.72 -1.45 0.07 0.00 -0.52 0.00 0.00 52.55 51.37 3hja s ASP 298 Cb -0.39 -2.46 0.71 0.00 -1.46 0.00 0.00 42.92 39.32 3hja s ASP 298 CO 0.32 -1.35 1.92 1.23 0.52 0.00 0.00 175.17 177.81 3hja h GLY 299 N 11.44 0.45 2.00 2.66 0.00 -0.92 -1.68 103.07 117.02 3hja h GLY 299 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3hja h GLY 299 CO 1.21 0.24 -0.12 1.41 0.00 0.00 0.00 176.54 179.28 3hja h LEU 300 N 0.41 0.00 -0.04 3.11 3.38 -1.85 -2.87 115.31 117.44 3hja h LEU 300 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hja h LEU 300 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hja h LEU 300 CO 0.01 0.12 -0.26 -0.62 0.09 0.00 0.00 178.44 177.78 3hja n GLU 301 N -3.60 0.10 -1.82 1.13 -0.58 -0.63 -4.92 120.64 110.32 3hja n GLU 301 Ca -0.02 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 3hja n GLU 301 Cb 0.25 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 3hja n GLU 301 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3hja s THR 302 N -2.93 2.27 -0.04 2.62 2.01 -1.09 -4.72 115.64 113.77 3hja s THR 302 Ca 0.14 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3hja s THR 302 Cb 0.18 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.59 3hja s THR 302 CO 0.61 0.02 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.19 3hja s MET 303 N 0.82 0.73 -0.05 4.92 0.00 -0.65 -4.99 119.30 120.08 3hja s MET 303 Ca 0.71 -0.09 0.02 0.00 0.00 0.00 0.00 55.69 56.33 3hja s MET 303 Cb -0.47 -0.75 0.01 0.00 0.00 0.00 0.00 34.83 33.62 3hja s MET 303 CO 0.35 -0.07 -0.11 0.08 0.00 0.00 0.00 175.02 175.27 3hja s VAL 304 N 0.83 1.02 0.00 10.11 1.01 -1.26 -0.15 120.40 131.96 3hja s VAL 304 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3hja s VAL 304 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3hja s VAL 304 CO 0.00 0.32 0.00 0.18 0.00 0.00 0.00 175.10 175.60 3hja n LEU 305 N 3.65 0.00 -4.86 3.92 4.77 0.32 -4.93 117.00 119.87 3hja n LEU 305 Ca -0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.45 3hja n LEU 305 Cb 0.52 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3hja n LEU 305 CO 0.25 -0.05 0.72 -1.61 -1.33 0.00 0.00 177.39 175.37 3hja s GLU 306 N 2.46 3.29 -1.47 3.23 2.02 -1.26 -4.33 118.70 122.63 3hja s GLU 306 Ca 0.00 0.72 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 3hja s GLU 306 Cb 0.00 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.19 3hja s GLU 306 CO 0.00 -0.78 0.88 0.09 0.02 0.00 0.00 175.26 175.47 3hja n ASN 307 N -2.89 -6.29 -0.64 -0.19 3.02 -1.02 -2.93 115.26 104.32 3hja n ASN 307 Ca 0.06 -0.41 -0.08 0.00 -0.03 0.00 0.00 54.58 54.12 3hja n ASN 307 Cb 0.55 -5.02 -0.04 0.00 -0.61 0.00 0.00 39.78 34.67 3hja n ASN 307 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hja n GLY 308 N -1.76 1.03 3.53 7.41 0.00 -1.21 -4.68 105.19 109.51 3hja n GLY 308 Ca -0.06 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.31 3.06 0.05 1.61 5.36 -1.15 0.02 117.98 124.62 3hja s PHE 309 Ca 0.00 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 3hja s PHE 309 Cb 0.00 -3.40 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 3hja s PHE 309 CO 0.00 -0.87 -0.07 0.00 -1.46 0.00 0.00 175.22 172.82 3hja s ALA 310 N 2.91 0.61 -0.07 11.12 0.00 -0.13 -0.53 121.76 135.67 3hja s ALA 310 Ca 0.24 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3hja s ALA 310 Cb -0.14 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3hja s ALA 310 CO 0.19 -0.12 -0.13 0.21 0.00 0.00 0.00 175.76 175.92 3hja s LYS 311 N -2.28 1.83 -0.06 0.00 2.20 0.79 -0.25 119.74 121.97 3hja s LYS 311 Ca -0.04 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3hja s LYS 311 Cb -0.05 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.76 3hja s LYS 311 CO -0.02 0.01 -0.13 0.42 -0.36 0.00 0.00 175.35 175.27 3hja s ILE 312 N 0.74 1.20 -0.12 5.43 1.09 0.93 -1.64 121.20 128.84 3hja s ILE 312 Ca -0.13 -0.53 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 3hja s ILE 312 Cb -0.16 -1.08 -0.03 0.00 -1.06 0.00 0.00 42.46 40.14 3hja s ILE 312 CO 0.03 0.37 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.44 3hja s LEU 313 N 0.55 3.31 -0.05 2.97 1.02 -1.26 -0.19 118.68 125.03 3hja s LEU 313 Ca -0.13 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 53.96 3hja s LEU 313 Cb -0.15 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.33 3hja s LEU 313 CO 0.04 0.26 0.08 -0.55 0.02 0.00 0.00 176.35 176.20 3hja s SER 314 N -0.20 0.53 0.43 2.29 0.15 -0.02 -0.96 113.70 115.92 3hja s SER 314 Ca 0.04 0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.66 3hja s SER 314 Cb -0.13 0.02 -0.10 0.00 -1.71 0.00 0.00 66.02 64.10 3hja s SER 314 CO 0.02 -0.20 0.91 0.26 1.20 0.00 0.00 173.24 175.44 3hja s TRP 315 N 1.70 3.36 -0.22 3.44 0.52 0.49 0.16 118.94 128.39 3hja s TRP 315 Ca -0.02 1.48 -0.20 0.00 0.02 0.00 0.00 56.10 57.39 3hja s TRP 315 Cb -0.12 -2.76 0.06 0.00 -1.15 0.00 0.00 33.47 29.49 3hja s TRP 315 CO -0.04 -0.14 0.59 1.52 0.02 0.00 0.00 176.95 178.90 3hja s TYR 316 N -2.27 -0.68 -0.63 -1.98 -0.00 -0.19 -0.55 117.35 111.04 3hja s TYR 316 Ca 0.59 1.62 -0.28 0.00 -0.00 0.00 0.00 57.07 59.01 3hja s TYR 316 Cb -0.09 0.26 0.03 0.00 -0.00 0.00 0.00 41.96 42.15 3hja s TYR 316 CO 0.19 -0.33 1.29 0.34 -0.00 0.00 0.00 175.55 177.04 3hja s ASP 317 N 0.48 6.25 0.60 -0.18 -1.08 -1.26 -0.86 116.67 120.61 3hja s ASP 317 Ca -0.01 -0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.28 3hja s ASP 317 Cb -0.04 -2.55 1.79 0.00 -1.46 0.00 0.00 42.92 40.65 3hja s ASP 317 CO -0.02 -1.68 2.20 -0.55 0.52 0.00 0.00 175.17 175.64 3hja h ASN 318 N 10.18 0.00 0.00 -0.34 -1.07 -1.91 -1.22 115.58 121.22 3hja h ASN 318 Ca -0.26 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.97 3hja h ASN 318 Cb 1.06 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 3hja h ASN 318 CO 1.22 0.00 -0.84 -0.33 0.07 0.00 0.00 177.43 177.55 3hja h GLU 319 N 0.00 0.00 0.22 4.14 5.08 -1.96 -3.38 114.58 118.67 3hja h GLU 319 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.07 3hja h GLU 319 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hja h GLU 319 CO -0.00 0.77 -1.47 0.35 -1.00 0.00 0.00 179.01 177.66 3hja h PHE 320 N -1.00 0.85 -0.05 4.33 3.57 -1.77 -1.12 116.94 121.74 3hja h PHE 320 Ca -0.21 -0.62 -0.00 0.00 3.53 0.00 0.00 57.97 60.67 3hja h PHE 320 Cb 1.04 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 3hja h PHE 320 CO 0.07 1.57 0.01 0.78 -2.23 0.00 0.00 178.31 178.51 3hja h GLY 321 N 0.21 0.09 0.90 2.40 0.00 -1.21 -0.96 103.07 104.51 3hja h GLY 321 Ca -0.27 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3hja h GLY 321 CO 0.23 0.05 0.15 -1.82 0.00 0.00 0.00 176.54 175.15 3hja h TYR 322 N -0.12 0.28 -0.98 5.60 3.20 -1.67 -1.50 116.97 121.78 3hja h TYR 322 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3hja h TYR 322 Cb 0.23 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3hja h TYR 322 CO 0.00 0.16 0.64 0.77 -1.64 0.00 0.00 178.16 178.09 3hja h SER 323 N 0.31 1.10 -0.71 -2.11 0.02 -1.15 -0.47 113.55 110.53 3hja h SER 323 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3hja h SER 323 Cb 0.02 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3hja h SER 323 CO -0.07 0.77 0.45 0.74 -1.14 0.00 0.00 176.83 177.59 3hja h THR 324 N 1.28 1.19 -0.60 -2.27 2.02 -0.82 -2.70 112.91 111.02 3hja h THR 324 Ca 0.37 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3hja h THR 324 Cb -0.08 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3hja h THR 324 CO -0.10 0.19 0.24 0.03 0.37 0.00 0.00 175.52 176.25 3hja h ARG 325 N 0.96 0.87 -0.59 6.66 2.47 -0.36 -0.92 114.38 123.47 3hja h ARG 325 Ca 0.26 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.85 3hja h ARG 325 Cb -0.08 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.06 3hja h ARG 325 CO -0.05 0.71 0.39 0.28 0.56 0.00 0.00 179.97 181.86 3hja h VAL 326 N 0.85 1.15 -0.28 2.04 2.07 -0.83 0.41 116.25 121.67 3hja h VAL 326 Ca 0.20 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 3hja h VAL 326 Cb 0.16 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3hja h VAL 326 CO -0.02 0.15 -0.27 0.58 0.02 0.00 0.00 177.57 178.03 3hja h VAL 327 N 0.80 1.30 -0.58 2.57 2.07 -1.24 -0.74 116.25 120.44 3hja h VAL 327 Ca 0.22 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.39 3hja h VAL 327 Cb -0.09 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3hja h VAL 327 CO -0.05 0.46 0.19 0.44 0.02 0.00 0.00 177.57 178.63 3hja h ASP 328 N 0.42 0.16 -0.33 0.57 3.32 -1.00 -2.09 116.42 117.47 3hja h ASP 328 Ca 0.05 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3hja h ASP 328 Cb 0.84 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3hja h ASP 328 CO 0.07 0.10 0.14 0.25 -1.72 0.00 0.00 179.24 178.08 3hja h LEU 329 N 0.36 0.45 -0.48 1.55 5.85 -0.75 -1.79 115.31 120.51 3hja h LEU 329 Ca 0.29 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.94 3hja h LEU 329 Cb 0.38 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3hja h LEU 329 CO -0.32 0.49 0.05 0.00 -0.34 0.00 0.00 178.44 178.32 3hja h ALA 330 N 0.99 0.50 -0.12 1.25 0.00 -0.86 -1.23 119.26 119.79 3hja h ALA 330 Ca 0.11 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hja h ALA 330 Cb 0.17 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hja h ALA 330 CO -0.01 -0.35 -0.14 1.96 0.00 0.00 0.00 179.25 180.71 3hja h GLN 331 N 0.17 0.18 -0.02 0.00 4.20 -1.18 -2.76 115.11 115.70 3hja h GLN 331 Ca 0.24 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 3hja h GLN 331 Cb 0.34 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3hja h GLN 331 CO -0.35 0.33 -0.74 0.87 -0.67 0.00 0.00 178.83 178.27 3hja h LYS 332 N 0.17 0.13 0.00 1.46 1.57 -0.50 -3.27 116.57 116.13 3hja h LYS 332 Ca 0.04 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3hja h LYS 332 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3hja h LYS 332 CO 0.02 0.81 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.40 3hja h LEU 333 N 0.08 0.00 -1.80 2.94 3.38 -0.95 -3.49 115.31 115.47 3hja h LEU 333 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hja h LEU 333 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3hja h LEU 333 CO 0.11 0.24 0.00 1.33 0.09 0.00 0.00 178.44 180.20