#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 3.50 -0.05 2.12 1.02 -1.26 -2.85 119.74 122.21 3hja s LYS 2 Ca 0.00 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 3hja s LYS 2 Cb 0.00 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 3hja s LYS 2 CO 0.00 -0.37 0.06 -1.17 -0.92 0.00 0.00 175.35 172.95 3hja s LEU 3 N 1.66 3.83 0.11 3.17 2.96 0.27 -0.17 118.68 130.52 3hja s LEU 3 Ca 0.05 0.19 0.09 0.00 -0.22 0.00 0.00 54.13 54.25 3hja s LEU 3 Cb -0.17 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3hja s LEU 3 CO 0.08 0.34 -0.23 0.00 -1.32 0.00 0.00 176.35 175.21 3hja s ALA 4 N -1.04 2.01 -0.17 5.97 0.00 -0.26 -0.79 121.76 127.48 3hja s ALA 4 Ca 0.18 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3hja s ALA 4 Cb -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3hja s ALA 4 CO 0.08 0.42 -0.19 0.42 0.00 0.00 0.00 175.76 176.48 3hja s ILE 5 N -1.15 2.21 -0.42 0.00 1.01 -0.79 -0.48 121.20 121.58 3hja s ILE 5 Ca 0.09 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 3hja s ILE 5 Cb -0.10 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.49 3hja s ILE 5 CO 0.05 0.53 0.30 0.21 0.00 0.00 0.00 174.94 176.03 3hja s ASN 6 N 1.12 5.97 0.00 3.58 2.47 0.10 -0.42 114.94 127.76 3hja s ASN 6 Ca 0.01 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.18 3hja s ASN 6 Cb -0.14 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3hja s ASN 6 CO -0.08 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.42 3hja n GLY 7 N 5.10 -0.62 2.56 1.21 0.00 0.17 -0.64 105.19 112.98 3hja n GLY 7 Ca -0.11 -0.68 -0.37 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 0.26 2.43 -0.60 1.61 7.35 -1.25 -3.85 117.46 123.41 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 -1.52 0.00 0.00 0.35 0.00 0.00 39.48 38.31 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 0.90 2.07 0.05 7.13 0.00 -1.26 -4.43 105.19 109.64 3hja n GLY 9 Ca 0.55 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 0.02 0.07 1.61 2.47 -1.92 0.98 114.38 117.62 3hja h ARG 10 Ca 0.00 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hja h ARG 10 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3hja h ARG 10 CO 0.00 0.03 -0.03 0.82 0.56 0.00 0.00 179.97 181.34 3hja h ILE 11 N 0.01 1.19 -0.66 2.04 1.08 -1.91 -2.82 117.51 116.45 3hja h ILE 11 Ca 0.01 -0.97 0.14 0.00 -0.39 0.00 0.00 64.86 63.64 3hja h ILE 11 Cb 0.01 1.81 -0.11 0.00 -3.07 0.00 0.00 36.82 35.47 3hja h ILE 11 CO -0.00 0.24 0.06 1.23 -0.69 0.00 0.00 178.15 178.99 3hja h GLY 12 N -0.54 0.78 1.23 5.37 0.00 -1.64 0.55 103.07 108.82 3hja h GLY 12 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 3hja h GLY 12 CO 0.02 -0.20 -0.37 3.21 0.00 0.00 0.00 176.54 179.19 3hja h ARG 13 N 0.17 0.84 -0.47 4.80 3.08 -0.88 -0.79 114.38 121.13 3hja h ARG 13 Ca 0.35 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3hja h ARG 13 Cb 0.58 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3hja h ARG 13 CO -0.52 1.07 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.46 3hja h ASN 14 N 0.69 0.89 -0.44 7.04 2.35 -1.17 -2.41 115.58 122.54 3hja h ASN 14 Ca 0.06 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.53 3hja h ASN 14 Cb 0.94 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.02 3hja h ASN 14 CO 0.09 1.02 0.10 0.58 -1.65 0.00 0.00 177.43 177.58 3hja h VAL 15 N 0.73 0.79 -0.24 2.81 2.07 -0.87 -2.18 116.25 119.37 3hja h VAL 15 Ca 0.12 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3hja h VAL 15 Cb 0.62 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3hja h VAL 15 CO 0.04 0.04 -0.20 0.15 0.02 0.00 0.00 177.57 177.63 3hja h PHE 16 N 0.24 -0.51 -0.53 1.57 3.57 -0.97 0.25 116.94 120.57 3hja h PHE 16 Ca 0.21 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3hja h PHE 16 Cb 0.26 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3hja h PHE 16 CO -0.20 -0.27 0.23 0.87 -2.23 0.00 0.00 178.31 176.71 3hja h LYS 17 N -0.20 0.78 -0.21 1.11 1.57 -1.19 0.23 116.57 118.67 3hja h LYS 17 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3hja h LYS 17 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hja h LYS 17 CO -0.36 0.67 0.02 0.82 -0.57 0.00 0.00 179.45 180.04 3hja h ILE 18 N 0.71 1.24 -0.41 1.86 2.04 -1.19 -1.77 117.51 119.99 3hja h ILE 18 Ca 0.18 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3hja h ILE 18 Cb 0.17 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3hja h ILE 18 CO -0.02 0.24 0.09 0.00 0.00 0.00 0.00 178.15 178.47 3hja h ALA 19 N 0.82 0.54 -0.65 1.87 0.00 -0.81 -2.90 119.26 118.13 3hja h ALA 19 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hja h ALA 19 Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hja h ALA 19 CO 0.01 0.23 0.42 0.35 0.00 0.00 0.00 179.25 180.25 3hja h PHE 20 N 0.52 0.78 -0.06 0.00 3.57 -0.47 -1.25 116.94 120.04 3hja h PHE 20 Ca 0.13 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3hja h PHE 20 Cb 0.33 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3hja h PHE 20 CO 0.02 0.47 0.04 1.49 -2.23 0.00 0.00 178.31 178.10 3hja h GLU 21 N 0.83 0.00 -0.00 1.11 4.57 -1.22 -2.18 114.58 117.70 3hja h GLU 21 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3hja h GLU 21 Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3hja h GLU 21 CO -0.08 0.00 -0.18 0.54 -1.18 0.00 0.00 179.01 178.11 3hja n ARG 22 N -4.46 0.41 -0.52 1.92 1.74 -0.50 -4.91 116.66 110.34 3hja n ARG 22 Ca -0.02 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3hja n ARG 22 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.38 0.70 3.77 -0.13 0.00 -0.82 -5.06 105.19 105.04 3hja n GLY 23 Ca 0.11 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 3.57 -0.73 -0.61 1.01 -1.05 -4.96 121.20 116.43 3hja s ILE 24 Ca 0.00 1.33 -0.22 0.00 0.00 0.00 0.00 60.65 61.76 3hja s ILE 24 Cb 0.00 -3.75 0.08 0.00 0.01 0.00 0.00 42.46 38.80 3hja s ILE 24 CO 0.00 0.13 1.04 -0.62 0.00 0.00 0.00 174.94 175.49 3hja s ASP 25 N -1.30 6.27 -0.53 3.58 2.15 -1.13 -4.62 116.67 121.09 3hja s ASP 25 Ca 0.54 -1.17 -0.24 0.00 0.43 0.00 0.00 52.55 52.11 3hja s ASP 25 Cb -0.26 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 3hja s ASP 25 CO 0.33 -1.40 0.90 -0.63 -0.17 0.00 0.00 175.17 174.19 3hja s ILE 26 N 3.97 4.46 -0.03 4.11 1.01 -1.26 -0.56 121.20 132.91 3hja s ILE 26 Ca 0.26 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 3hja s ILE 26 Cb -0.13 -4.49 -0.27 0.00 0.01 0.00 0.00 42.46 37.57 3hja s ILE 26 CO 0.06 -1.03 0.74 0.58 0.00 0.00 0.00 174.94 175.30 3hja h VAL 27 N 6.01 1.02 -2.30 2.92 2.07 -1.32 -3.44 116.25 121.21 3hja h VAL 27 Ca -0.26 -2.68 -0.06 0.00 0.82 0.00 0.00 66.70 64.52 3hja h VAL 27 Cb 1.08 2.69 -0.18 0.00 -1.52 0.00 0.00 31.29 33.36 3hja h VAL 27 CO 1.06 0.80 0.16 0.00 0.02 0.00 0.00 177.57 179.61 3hja s ALA 28 N -2.60 -1.65 -0.05 1.67 0.00 -1.25 -1.91 121.76 115.97 3hja s ALA 28 Ca -0.11 1.06 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3hja s ALA 28 Cb 0.07 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3hja s ALA 28 CO 0.84 -0.45 -0.16 0.42 0.00 0.00 0.00 175.76 176.41 3hja s ILE 29 N -1.77 1.38 -0.08 0.00 1.01 0.66 -1.88 121.20 120.52 3hja s ILE 29 Ca -0.08 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3hja s ILE 29 Cb -0.00 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3hja s ILE 29 CO 0.05 0.40 -0.19 0.21 0.00 0.00 0.00 174.94 175.41 3hja s ASN 30 N 0.18 3.59 0.00 3.58 2.47 0.44 -0.50 114.94 124.70 3hja s ASN 30 Ca -0.07 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.83 3hja s ASN 30 Cb -0.13 -1.14 0.00 0.00 -1.45 0.00 0.00 41.25 38.53 3hja s ASN 30 CO 0.03 0.24 0.00 -0.67 -3.72 0.00 0.00 177.10 172.97 3hja n ASP 31 N 3.04 0.00 -0.81 -4.21 2.03 -0.74 0.46 116.55 116.31 3hja n ASP 31 Ca -0.18 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.18 3hja n ASP 31 Cb 0.52 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.10 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 2.53 0.00 -2.67 4.77 -1.26 -3.50 117.00 116.88 3hja n LEU 32 Ca 0.00 -3.65 -0.05 0.00 -0.03 0.00 0.00 56.01 52.28 3hja n LEU 32 Cb 0.00 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 3hja n LEU 32 CO 0.00 1.30 0.06 1.07 -1.33 0.00 0.00 177.39 178.49 3hja n THR 33 N -0.85 0.00 -2.82 -5.08 5.66 -1.26 -5.08 114.28 104.84 3hja n THR 33 Ca 0.18 -0.64 -0.22 0.00 -3.05 0.00 0.00 64.05 60.32 3hja n THR 33 Cb 0.77 0.39 0.02 0.00 -1.55 0.00 0.00 70.33 69.97 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 -1.78 5.60 0.46 1.09 1.47 -1.26 -4.76 116.67 117.48 3hja s ASP 34 Ca 0.10 0.19 0.13 0.00 1.18 0.00 0.00 52.55 54.15 3hja s ASP 34 Cb -0.00 -1.28 1.07 0.00 -0.34 0.00 0.00 42.92 42.36 3hja s ASP 34 CO 0.07 -0.89 2.05 -0.65 0.68 0.00 0.00 175.17 176.43 3hja h PRO 35 N 0.24 0.31 -0.56 2.11 0.11 -1.89 -2.77 132.00 129.55 3hja h PRO 35 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3hja h PRO 35 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hja h PRO 35 CO 0.55 0.21 -0.02 0.87 -0.21 0.00 0.00 178.00 179.40 3hja h LYS 36 N 0.32 1.01 -0.25 1.05 6.56 -1.91 0.36 116.57 123.71 3hja h LYS 36 Ca 0.17 -0.33 -0.02 0.00 -1.06 0.00 0.00 60.65 59.41 3hja h LYS 36 Cb 0.27 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 3hja h LYS 36 CO -0.04 1.01 0.08 1.15 -2.06 0.00 0.00 179.45 179.60 3hja h THR 37 N 0.90 1.19 -0.41 -0.16 2.02 -1.91 -1.14 112.91 113.41 3hja h THR 37 Ca 0.16 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3hja h THR 37 Cb 0.57 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3hja h THR 37 CO 0.03 0.20 0.12 -0.07 0.37 0.00 0.00 175.52 176.17 3hja h LEU 38 N 0.25 0.60 -0.40 2.58 3.38 -1.28 -0.97 115.31 119.46 3hja h LEU 38 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hja h LEU 38 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hja h LEU 38 CO -0.00 0.66 0.27 0.00 0.09 0.00 0.00 178.44 179.45 3hja h ALA 39 N 0.96 0.51 -0.31 1.53 0.00 -0.88 -1.20 119.26 119.87 3hja h ALA 39 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hja h ALA 39 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hja h ALA 39 CO -0.00 -0.04 0.18 1.25 0.00 0.00 0.00 179.25 180.65 3hja h HIS 40 N 0.54 0.41 -0.11 0.00 -0.00 -0.96 -0.92 115.15 114.11 3hja h HIS 40 Ca 0.15 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 3hja h HIS 40 Cb -0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3hja h HIS 40 CO -0.05 0.30 -0.12 -0.07 -0.00 0.00 0.00 177.93 178.00 3hja h LEU 41 N 0.39 0.16 -0.31 0.26 3.38 -1.08 -1.29 115.31 116.82 3hja h LEU 41 Ca 0.11 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3hja h LEU 41 Cb 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hja h LEU 41 CO -0.02 0.30 -0.60 0.25 0.09 0.00 0.00 178.44 178.46 3hja h LEU 42 N 0.17 0.89 -0.10 1.67 5.85 -0.79 -3.33 115.31 119.67 3hja h LEU 42 Ca 0.04 -0.50 -0.16 0.00 0.84 0.00 0.00 57.88 58.09 3hja h LEU 42 Cb 0.32 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hja h LEU 42 CO 0.02 1.29 -0.58 0.50 -0.34 0.00 0.00 178.44 179.33 3hja h LYS 43 N 0.59 0.57 -4.74 1.25 1.63 -0.83 -3.41 116.57 111.63 3hja h LYS 43 Ca -0.00 -0.48 -0.68 0.00 -0.85 0.00 0.00 60.65 58.64 3hja h LYS 43 Cb 1.20 0.10 -0.35 0.00 -0.60 0.00 0.00 32.23 32.59 3hja h LYS 43 CO 0.13 1.10 -0.70 0.71 -3.45 0.00 0.00 179.45 177.24 3hja s TYR 44 N -3.64 3.36 -0.21 1.91 2.02 -0.52 -0.46 117.35 119.81 3hja s TYR 44 Ca -0.12 -2.15 -0.03 0.00 -0.37 0.00 0.00 57.07 54.40 3hja s TYR 44 Cb 0.06 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.31 3hja s TYR 44 CO 0.84 -0.86 -0.07 0.34 -1.57 0.00 0.00 175.55 174.23 3hja s ASP 45 N 1.27 4.07 0.36 2.29 -1.08 -0.79 -4.60 116.67 118.18 3hja s ASP 45 Ca -0.03 -0.46 0.05 0.00 -0.52 0.00 0.00 52.55 51.60 3hja s ASP 45 Cb -0.20 -1.69 0.67 0.00 -1.46 0.00 0.00 42.92 40.24 3hja s ASP 45 CO -0.03 -0.02 1.94 0.28 0.52 0.00 0.00 175.17 177.86 3hja h SER 46 N 8.08 0.52 0.11 -0.34 0.02 -1.93 0.17 113.55 120.18 3hja h SER 46 Ca -0.42 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.29 3hja h SER 46 Cb 1.15 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.57 3hja h SER 46 CO 0.61 0.50 -0.82 0.74 -1.14 0.00 0.00 176.83 176.72 3hja h THR 47 N 0.57 1.44 -0.00 -2.27 2.02 -1.98 -3.40 112.91 109.28 3hja h THR 47 Ca 0.14 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3hja h THR 47 Cb 0.17 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3hja h THR 47 CO -0.01 0.68 -0.39 0.49 0.37 0.00 0.00 175.52 176.66 3hja n PHE 48 N -4.17 0.00 0.00 3.16 3.72 -1.18 -5.06 117.46 113.93 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 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.13 -1.75 3.68 1.37 0.00 0.60 -4.96 105.19 105.26 3hja n GLY 49 Ca 0.04 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 5.00 0.12 1.61 1.01 -1.26 -1.89 120.40 124.98 3hja s VAL 50 Ca 0.00 1.36 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 3hja s VAL 50 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3hja s VAL 50 CO 0.00 0.13 1.67 -0.47 0.00 0.00 0.00 175.10 176.43 3hja s TYR 51 N 1.63 2.59 -1.91 5.22 5.04 0.40 -4.90 117.35 125.41 3hja s TYR 51 Ca 0.33 0.35 0.19 0.00 -2.44 0.00 0.00 57.07 55.50 3hja s TYR 51 Cb -0.16 -4.00 1.10 0.00 0.35 0.00 0.00 41.96 39.24 3hja s TYR 51 CO 0.13 -3.95 1.53 0.27 -1.34 0.00 0.00 175.55 172.19 3hja n ASN 52 N 5.04 0.00 -4.96 4.32 0.23 -1.26 -4.83 115.26 113.79 3hja n ASN 52 Ca 0.16 -0.50 -0.22 0.00 -0.53 0.00 0.00 54.58 53.49 3hja n ASN 52 Cb 0.39 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3hja n ASN 52 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3hja s LYS 53 N -2.09 3.18 -0.25 -3.83 -0.14 -1.26 -5.06 119.74 110.29 3hja s LYS 53 Ca 0.27 -0.57 -0.29 0.00 -1.36 0.00 0.00 55.97 54.02 3hja s LYS 53 Cb 0.13 -2.64 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 3hja s LYS 53 CO 0.23 -0.09 1.11 0.21 -0.76 0.00 0.00 175.35 176.05 3hja s LYS 54 N -4.41 4.17 -0.14 1.68 2.20 -1.26 -4.92 119.74 117.06 3hja s LYS 54 Ca 0.45 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 3hja s LYS 54 Cb -0.10 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3hja s LYS 54 CO 0.36 -0.77 -0.19 0.08 -0.36 0.00 0.00 175.35 174.47 3hja s VAL 55 N 3.49 2.36 0.21 4.02 1.01 -1.26 -0.59 120.40 129.63 3hja s VAL 55 Ca 0.47 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hja s VAL 55 Cb -0.15 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3hja s VAL 55 CO 0.12 0.54 -0.09 -1.61 0.00 0.00 0.00 175.10 174.06 3hja s GLU 56 N 0.74 1.31 0.09 2.72 2.02 0.57 -4.97 118.70 121.18 3hja s GLU 56 Ca -0.08 -1.62 0.10 0.00 0.02 0.00 0.00 54.97 53.40 3hja s GLU 56 Cb -0.16 -0.90 -0.03 0.00 0.10 0.00 0.00 34.13 33.14 3hja s GLU 56 CO 0.00 0.07 -0.27 -1.54 0.02 0.00 0.00 175.26 173.54 3hja s SER 57 N -3.31 3.25 0.35 -0.19 1.04 -1.26 -0.03 113.70 113.55 3hja s SER 57 Ca 0.24 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 56.04 3hja s SER 57 Cb 0.02 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 3hja s SER 57 CO 0.07 0.22 0.20 -0.13 0.98 0.00 0.00 173.24 174.58 3hja s ARG 58 N -1.67 1.78 0.11 4.02 0.52 0.92 -4.96 118.95 119.67 3hja s ARG 58 Ca 0.13 -2.05 -0.31 0.00 -0.52 0.00 0.00 55.73 52.98 3hja s ARG 58 Cb -0.10 -0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.19 3hja s ARG 58 CO 0.04 -0.55 1.85 -0.51 0.02 0.00 0.00 175.30 176.15 3hja s ASP 59 N -3.45 6.42 -1.75 0.23 1.11 -1.26 -2.92 116.67 115.05 3hja s ASP 59 Ca 0.34 2.76 0.00 0.00 0.18 0.00 0.00 52.55 55.82 3hja s ASP 59 Cb 0.03 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3hja s ASP 59 CO 0.21 -1.02 0.00 0.61 1.18 0.00 0.00 175.17 176.15 3hja n GLY 60 N 4.28 1.04 3.53 0.21 0.00 -1.26 -4.96 105.19 108.04 3hja n GLY 60 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.60 -1.85 0.21 4.61 0.00 -1.15 -1.52 121.76 119.47 3hja s ALA 61 Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.34 3hja s ALA 61 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3hja s ALA 61 CO 0.00 -0.46 -0.02 0.96 0.00 0.00 0.00 175.76 176.24 3hja s ILE 62 N -1.86 3.53 -0.09 0.00 -4.36 -0.51 -0.06 121.20 117.86 3hja s ILE 62 Ca -0.02 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3hja s ILE 62 Cb -0.01 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.91 3hja s ILE 62 CO -0.01 -0.21 -0.11 -0.69 0.24 0.00 0.00 174.94 174.17 3hja s VAL 63 N -1.94 1.14 -0.23 8.37 1.01 0.95 -0.52 120.40 129.18 3hja s VAL 63 Ca 0.28 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3hja s VAL 63 Cb -0.08 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.27 3hja s VAL 63 CO 0.18 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.90 3hja s VAL 64 N 1.16 1.61 -1.45 2.92 1.01 0.23 -0.32 120.40 125.56 3hja s VAL 64 Ca -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 3hja s VAL 64 Cb -0.14 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3hja s VAL 64 CO -0.02 -0.06 0.46 0.47 0.00 0.00 0.00 175.10 175.95 3hja n ASP 65 N 4.65 -0.75 0.00 3.32 9.92 0.24 -1.27 116.55 132.65 3hja n ASP 65 Ca -0.13 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 3hja n ASP 65 Cb 0.44 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 37.94 3hja n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hja n GLY 66 N -1.93 2.48 3.67 0.44 0.00 -1.26 -4.99 105.19 103.61 3hja n GLY 66 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 4.31 -0.16 1.61 1.04 -0.40 -5.03 118.95 120.32 3hja s ARG 67 Ca 0.00 1.03 -0.15 0.00 -1.04 0.00 0.00 55.73 55.56 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 -0.31 0.36 -2.00 -0.04 0.00 0.00 175.30 173.31 3hja s GLU 68 N 2.09 4.25 -0.15 3.89 2.12 -1.26 -0.60 118.70 129.05 3hja s GLU 68 Ca 0.39 0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.94 3hja s GLU 68 Cb -0.17 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.77 3hja s GLU 68 CO 0.13 0.14 -0.21 0.42 -0.54 0.00 0.00 175.26 175.20 3hja s ILE 69 N 0.76 2.14 0.32 -3.70 1.09 0.32 -4.93 121.20 117.19 3hja s ILE 69 Ca 0.19 -0.95 -0.29 0.00 -1.10 0.00 0.00 60.65 58.51 3hja s ILE 69 Cb -0.14 -1.87 -0.10 0.00 -1.06 0.00 0.00 42.46 39.29 3hja s ILE 69 CO 0.06 0.54 1.25 -0.54 -0.10 0.00 0.00 174.94 176.16 3hja s LYS 70 N 0.88 4.43 -0.16 2.79 1.02 -0.80 -1.42 119.74 126.48 3hja s LYS 70 Ca -0.05 2.11 -0.03 0.00 0.02 0.00 0.00 55.97 58.01 3hja s LYS 70 Cb -0.15 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3hja s LYS 70 CO -0.03 -0.08 -0.05 0.42 -0.92 0.00 0.00 175.35 174.68 3hja s ILE 71 N -1.14 3.69 0.11 2.17 -1.09 -0.58 -0.24 121.20 124.12 3hja s ILE 71 Ca 0.48 -0.43 0.10 0.00 -2.23 0.00 0.00 60.65 58.57 3hja s ILE 71 Cb -0.38 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 3hja s ILE 71 CO 0.50 0.49 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.84 3hja s ILE 72 N 0.47 2.49 -0.54 2.92 1.01 0.35 -4.69 121.20 123.21 3hja s ILE 72 Ca -0.05 -1.58 0.06 0.00 0.00 0.00 0.00 60.65 59.08 3hja s ILE 72 Cb -0.15 -2.10 0.23 0.00 0.01 0.00 0.00 42.46 40.45 3hja s ILE 72 CO 0.03 0.15 0.58 0.00 0.00 0.00 0.00 174.94 175.70 3hja n ALA 73 N 1.03 3.26 -3.94 9.38 0.00 -1.26 -1.79 120.51 127.19 3hja n ALA 73 Ca -0.17 -4.05 -0.30 0.00 0.00 0.00 0.00 53.44 48.92 3hja n ALA 73 Cb 0.53 -0.87 -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 -1.54 1.70 0.31 0.00 2.56 -1.23 -4.96 118.70 115.54 3hja s GLU 74 Ca 0.35 -0.79 0.06 0.00 0.00 0.00 0.00 54.97 54.59 3hja s GLU 74 Cb 0.11 -2.36 0.49 0.00 2.00 0.00 0.00 34.13 34.38 3hja s GLU 74 CO -0.10 -0.49 1.73 -0.09 -0.56 0.00 0.00 175.26 175.76 3hja h ARG 75 N 8.01 0.27 -4.53 4.30 2.43 -1.97 -3.42 114.38 119.48 3hja h ARG 75 Ca -0.23 -0.11 -0.72 0.00 -0.81 0.00 0.00 59.98 58.11 3hja h ARG 75 Cb 1.09 -0.01 -0.21 0.00 -0.42 0.00 0.00 29.97 30.42 3hja h ARG 75 CO 0.43 0.59 -0.41 0.34 -1.51 0.00 0.00 179.97 179.42 3hja s ASP 76 N -6.87 6.12 0.58 -3.80 -1.08 -1.26 -4.96 116.67 105.40 3hja s ASP 76 Ca -0.05 -0.90 0.29 0.00 -0.52 0.00 0.00 52.55 51.38 3hja s ASP 76 Cb 0.14 -2.17 1.78 0.00 -1.46 0.00 0.00 42.92 41.21 3hja s ASP 76 CO 0.77 -0.47 2.24 1.55 0.52 0.00 0.00 175.17 179.77 3hja h PRO 77 N 8.64 0.00 -0.43 4.34 0.13 -1.86 -0.29 132.00 142.53 3hja h PRO 77 Ca -0.27 0.00 0.10 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 0.74 0.02 0.30 0.87 -0.23 0.00 0.00 178.00 179.70 3hja h LYS 78 N 0.00 0.11 -0.18 0.86 1.57 -1.92 -2.53 116.57 114.48 3hja h LYS 78 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hja h LYS 78 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hja h LYS 78 CO 0.00 0.07 0.00 0.09 -0.57 0.00 0.00 179.45 179.04 3hja n ASN 79 N -4.44 1.43 -4.76 0.86 3.02 -0.12 -4.05 115.26 107.20 3hja n ASN 79 Ca 0.07 -1.76 -0.40 0.00 -0.03 0.00 0.00 54.58 52.46 3hja n ASN 79 Cb 0.42 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.40 4.57 -0.07 3.41 1.43 -0.95 -4.94 118.68 120.72 3hja s LEU 80 Ca 0.28 2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 55.46 3hja s LEU 80 Cb 0.15 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 3hja s LEU 80 CO 0.22 -0.02 2.48 -0.81 0.23 0.00 0.00 176.35 178.46 3hja n PRO 81 N 1.25 1.46 0.01 1.29 -0.04 -1.26 -4.58 135.00 133.12 3hja n PRO 81 Ca -0.01 -0.62 -0.07 0.00 -0.04 0.00 0.00 63.50 62.76 3hja n PRO 81 Cb 0.46 -1.42 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.72 0.62 0.04 0.54 -0.00 -1.80 -2.19 115.95 114.88 3hja h TRP 82 Ca 0.11 -0.20 -0.00 0.00 -0.00 0.00 0.00 58.89 58.81 3hja h TRP 82 Cb 1.11 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 3hja h TRP 82 CO 0.80 0.88 -0.02 0.00 -0.00 0.00 0.00 178.44 180.10 3hja h ALA 83 N 1.09 -0.06 -0.81 1.49 0.00 -1.27 -0.85 119.26 118.85 3hja h ALA 83 Ca 0.03 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3hja h ALA 83 Cb 0.97 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 3hja h ALA 83 CO 0.09 -0.42 0.04 0.87 0.00 0.00 0.00 179.25 179.83 3hja h LYS 84 N -0.29 0.11 -0.01 0.00 1.57 -1.83 -0.96 116.57 115.16 3hja h LYS 84 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hja h LYS 84 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hja h LYS 84 CO 0.01 0.07 -0.08 1.28 -0.57 0.00 0.00 179.45 180.16 3hja n LEU 85 N -5.35 0.64 -2.14 2.94 4.77 -0.83 -4.94 117.00 112.10 3hja n LEU 85 Ca 0.16 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 3hja n LEU 85 Cb 0.54 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3hja n LEU 85 CO 0.03 0.11 0.04 0.61 -1.33 0.00 0.00 177.39 176.86 3hja n GLY 86 N 1.22 -0.06 3.67 -0.72 0.00 -0.36 -4.93 105.19 104.00 3hja n GLY 86 Ca 0.17 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.01 3.71 -0.12 -0.61 -1.09 -0.45 -4.70 121.20 114.93 3hja s ILE 87 Ca 0.24 0.93 -0.28 0.00 -2.23 0.00 0.00 60.65 59.31 3hja s ILE 87 Cb -0.11 -3.60 -0.25 0.00 -1.58 0.00 0.00 42.46 36.92 3hja s ILE 87 CO 0.30 -0.06 0.82 0.44 -1.23 0.00 0.00 174.94 175.21 3hja h ASP 88 N 8.89 -0.00 -3.39 3.58 3.32 -0.92 -2.36 116.42 125.54 3hja h ASP 88 Ca -0.37 -0.92 -0.45 0.00 0.02 0.00 0.00 57.03 55.31 3hja h ASP 88 Cb 1.16 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 3hja h ASP 88 CO 0.95 0.93 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.92 3hja s VAL 89 N -2.47 0.69 -0.17 -1.35 1.01 -0.79 -1.47 120.40 115.85 3hja s VAL 89 Ca -0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3hja s VAL 89 Cb -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 3hja s VAL 89 CO 0.68 0.27 0.21 -0.69 0.00 0.00 0.00 175.10 175.57 3hja s VAL 90 N 1.10 5.36 -0.36 2.92 1.01 0.19 -1.10 120.40 129.52 3hja s VAL 90 Ca -0.08 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 3hja s VAL 90 Cb -0.14 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3hja s VAL 90 CO -0.01 0.44 0.51 -0.63 0.00 0.00 0.00 175.10 175.41 3hja s ILE 91 N 0.23 5.02 -0.74 2.22 -1.09 0.37 -0.82 121.20 126.40 3hja s ILE 91 Ca 0.13 0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.65 3hja s ILE 91 Cb -0.12 -3.97 0.16 0.00 -1.58 0.00 0.00 42.46 36.95 3hja s ILE 91 CO 0.01 -0.24 0.77 -0.70 -1.23 0.00 0.00 174.94 173.55 3hja s GLU 92 N 2.38 3.35 -0.19 2.79 2.56 0.77 0.02 118.70 130.38 3hja s GLU 92 Ca 0.18 -1.92 0.16 0.00 0.00 0.00 0.00 54.97 53.39 3hja s GLU 92 Cb -0.16 -4.45 0.45 0.00 2.00 0.00 0.00 34.13 31.98 3hja s GLU 92 CO 0.14 -1.45 1.18 -1.13 -0.56 0.00 0.00 175.26 173.44 3hja n SER 93 N 5.24 2.36 0.13 -1.70 3.41 0.19 -2.23 113.62 121.02 3hja n SER 93 Ca 0.05 -3.04 0.06 0.00 -0.26 0.00 0.00 58.87 55.68 3hja n SER 93 Cb 0.45 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 3.65 0.44 0.00 6.66 1.35 -1.75 -3.43 112.91 119.84 3hja h THR 94 Ca 0.01 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 3hja h THR 94 Cb 1.41 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 3hja h THR 94 CO 0.26 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3hja n GLY 95 N 1.22 2.51 0.53 5.82 0.00 -1.26 -4.88 105.19 109.14 3hja n GLY 95 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.29 -2.78 1.61 0.24 -1.26 -4.67 118.33 109.76 3hja n VAL 96 Ca 0.00 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.34 61.43 3hja n VAL 96 Cb 0.00 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.64 2.75 1.31 6.34 3.72 -1.26 -4.87 117.46 126.09 3hja n PHE 97 Ca 0.08 -3.47 0.13 0.00 -0.05 0.00 0.00 57.45 54.14 3hja n PHE 97 Cb 0.34 -0.32 0.43 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.21 1.77 -4.95 4.37 3.41 -1.26 -2.90 113.62 113.86 3hja n SER 98 Ca 0.29 -1.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.01 3hja n SER 98 Cb 0.60 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.84 6.34 0.15 4.04 0.01 -1.26 -0.81 113.70 120.33 3hja s SER 99 Ca 0.35 0.18 -0.17 0.00 1.31 0.00 0.00 55.95 57.62 3hja s SER 99 Cb 0.20 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.55 3hja s SER 99 CO 0.31 0.04 1.75 0.00 0.41 0.00 0.00 173.24 175.75 3hja h ALA 100 N 2.08 0.38 -2.50 1.44 0.00 -1.92 -1.24 119.26 117.49 3hja h ALA 100 Ca -0.49 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 3hja h ALA 100 Cb 1.20 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 3hja h ALA 100 CO 0.68 -0.27 -0.46 0.95 0.00 0.00 0.00 179.25 180.15 3hja s THR 101 N -6.16 0.15 0.14 0.00 -4.23 -1.26 -1.10 115.64 103.17 3hja s THR 101 Ca -0.13 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 58.92 3hja s THR 101 Cb 0.11 -1.18 0.07 0.00 1.34 0.00 0.00 72.50 72.84 3hja s THR 101 CO 0.71 -0.67 0.99 -0.55 -0.54 0.00 0.00 174.62 174.56 3hja s SER 102 N -2.55 -0.15 0.13 3.99 0.15 -1.22 -4.75 113.70 109.29 3hja s SER 102 Ca 0.01 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.06 3hja s SER 102 Cb 0.03 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 3hja s SER 102 CO -0.08 -0.87 1.71 -2.24 1.20 0.00 0.00 173.24 172.96 3hja h ASP 103 N 2.00 -0.16 1.68 5.45 3.04 -2.02 -2.88 116.42 123.53 3hja h ASP 103 Ca -0.25 0.06 -0.06 0.00 -3.24 0.00 0.00 57.03 53.54 3hja h ASP 103 Cb 1.23 0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.62 3hja h ASP 103 CO 0.26 -0.05 -0.33 0.07 -2.04 0.00 0.00 179.24 177.15 3hja h LYS 104 N 0.02 0.00 0.00 4.15 5.09 -2.00 -3.50 116.57 120.34 3hja h LYS 104 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 3hja h LYS 104 Cb 0.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.48 3hja h LYS 104 CO -0.20 0.27 0.00 0.41 -2.09 0.00 0.00 179.45 177.84 3hja n GLY 105 N 1.18 2.38 3.74 0.07 0.00 -1.09 -4.76 105.19 106.71 3hja n GLY 105 Ca 0.02 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.23 0.42 -0.02 0.00 -1.26 -3.42 107.32 102.80 3hja s GLY 106 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 44.72 44.75 3hja s GLY 106 CO 0.00 -0.02 1.94 0.10 0.00 0.00 0.00 173.10 175.12 3hja h TYR 107 N 2.00 0.08 0.00 1.90 -0.00 -0.93 -1.41 116.97 118.61 3hja h TYR 107 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.49 3hja h TYR 107 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.97 3hja h TYR 107 CO 0.38 0.27 0.00 -0.07 -0.00 0.00 0.00 178.16 178.74 3hja h LEU 108 N 0.07 0.00 -1.72 0.10 3.38 -1.34 -2.81 115.31 112.99 3hja h LEU 108 Ca 0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3hja h LEU 108 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3hja h LEU 108 CO 0.03 0.00 0.37 0.44 0.09 0.00 0.00 178.44 179.36 3hja h ASP 109 N 0.00 0.28 -0.15 -0.43 3.32 -1.36 -0.10 116.42 117.99 3hja h ASP 109 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3hja h ASP 109 Cb 0.43 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hja h ASP 109 CO 0.00 0.17 0.10 0.45 -1.72 0.00 0.00 179.24 178.24 3hja h HIS 110 N 0.32 0.16 0.00 4.55 3.86 -1.67 -1.72 115.15 120.65 3hja h HIS 110 Ca 0.25 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.10 3hja h HIS 110 Cb 0.57 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 3hja h HIS 110 CO -0.00 0.10 -2.34 1.33 0.86 0.00 0.00 177.93 177.88 3hja n VAL 111 N -4.51 1.34 0.12 2.45 0.24 -0.63 -1.30 118.33 116.03 3hja n VAL 111 Ca -0.01 -0.49 0.01 0.00 -2.04 0.00 0.00 64.34 61.81 3hja n VAL 111 Cb 0.10 -1.39 -0.01 0.00 -1.47 0.00 0.00 33.84 31.07 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 -0.11 0.00 0.00 -1.34 2.35 -1.11 -3.27 115.58 112.10 3hja h ASN 112 Ca -0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3hja h ASN 112 Cb 1.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.15 3hja h ASN 112 CO -0.12 0.58 -0.72 1.57 -1.65 0.00 0.00 177.43 177.09 3hja n HIS 113 N -3.20 0.00 0.23 1.19 -0.00 -1.04 -4.80 115.22 107.60 3hja n HIS 113 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 3hja n HIS 113 Cb 0.78 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.82 3hja n HIS 113 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hja h ALA 114 N 0.00 0.98 0.00 1.57 0.00 -1.45 -3.48 119.26 116.87 3hja h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hja h ALA 114 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hja h ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hja n GLY 115 N 1.11 0.79 3.78 0.00 0.00 -1.15 -1.26 105.19 108.46 3hja n GLY 115 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.08 2.66 0.06 4.61 0.00 -0.42 -3.77 121.76 122.82 3hja s ALA 116 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 3hja s ALA 116 Cb 0.00 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 3hja s ALA 116 CO 0.00 -0.86 1.48 0.87 0.00 0.00 0.00 175.76 177.25 3hja h LYS 117 N 0.81 0.33 -3.60 0.00 6.56 -1.46 -3.38 116.57 115.82 3hja h LYS 117 Ca -0.49 -0.11 -0.13 0.00 -1.06 0.00 0.00 60.65 58.86 3hja h LYS 117 Cb 1.25 -0.03 -0.19 0.00 -0.57 0.00 0.00 32.23 32.69 3hja h LYS 117 CO 0.56 0.56 -0.48 0.15 -2.06 0.00 0.00 179.45 178.19 3hja s LYS 118 N -4.88 0.56 -0.05 3.15 1.02 -0.54 -4.71 119.74 114.29 3hja s LYS 118 Ca -0.14 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.32 3hja s LYS 118 Cb 0.06 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.61 3hja s LYS 118 CO 0.73 -0.14 -0.09 0.54 -0.92 0.00 0.00 175.35 175.46 3hja s VAL 119 N -2.01 0.89 -0.27 3.17 0.11 -0.27 -0.64 120.40 121.38 3hja s VAL 119 Ca -0.10 -0.36 -0.10 0.00 -2.93 0.00 0.00 61.98 58.49 3hja s VAL 119 Cb -0.04 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3hja s VAL 119 CO -0.01 0.29 0.15 -0.63 -3.33 0.00 0.00 175.10 171.57 3hja s ILE 120 N 0.56 4.92 -0.18 7.04 1.01 -0.00 -1.60 121.20 132.96 3hja s ILE 120 Ca -0.10 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 3hja s ILE 120 Cb -0.13 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 3hja s ILE 120 CO 0.02 0.26 0.75 -0.22 0.00 0.00 0.00 174.94 175.75 3hja s LEU 121 N 1.70 4.17 -0.44 2.97 2.96 0.65 -0.17 118.68 130.52 3hja s LEU 121 Ca 0.07 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3hja s LEU 121 Cb -0.16 -3.10 0.28 0.00 0.50 0.00 0.00 46.19 43.71 3hja s LEU 121 CO 0.08 -0.34 2.07 0.35 -1.32 0.00 0.00 176.35 177.19 3hja n THR 122 N 4.70 3.08 -3.51 3.68 -2.24 -0.95 -1.78 114.28 117.25 3hja n THR 122 Ca 0.02 -2.15 -0.10 0.00 -2.27 0.00 0.00 64.05 59.55 3hja n THR 122 Cb 0.49 -1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.09 0.00 0.45 2.28 0.11 -1.23 -4.93 120.40 114.00 3hja s VAL 123 Ca 0.43 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.23 3hja s VAL 123 Cb 0.33 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 3hja s VAL 123 CO -0.03 0.00 1.42 -2.16 -3.33 0.00 0.00 175.10 171.01 3hja s PRO 124 N -2.54 3.72 0.53 1.54 0.04 -1.24 -4.39 135.00 132.65 3hja s PRO 124 Ca 0.02 2.41 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 3hja s PRO 124 Cb -0.01 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 3hja s PRO 124 CO -0.05 -0.79 1.05 0.00 0.04 0.00 0.00 177.00 177.25 3hja s ALA 125 N -1.20 2.82 -0.89 8.56 0.00 -1.26 -4.94 121.76 124.85 3hja s ALA 125 Ca 0.60 0.53 0.28 0.00 0.00 0.00 0.00 51.96 53.37 3hja s ALA 125 Cb -0.43 -3.25 1.06 0.00 0.00 0.00 0.00 23.12 20.50 3hja s ALA 125 CO 0.56 -0.51 1.86 1.63 0.00 0.00 0.00 175.76 179.30 3hja n LYS 126 N -1.38 0.11 -1.76 0.00 4.76 0.01 -4.89 118.16 115.00 3hja n LYS 126 Ca 0.09 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3hja n LYS 126 Cb 0.53 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3hja n LYS 126 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3hja n ASP 127 N -1.81 1.56 -4.74 4.39 5.68 -1.26 -5.04 116.55 115.33 3hja n ASP 127 Ca 0.06 -0.88 -0.41 0.00 -0.50 0.00 0.00 54.79 53.07 3hja n ASP 127 Cb 0.38 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.63 4.60 -0.08 0.11 2.12 -1.26 -5.03 118.70 117.52 3hja s GLU 128 Ca 0.00 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 56.72 3hja s GLU 128 Cb 0.00 -3.29 0.09 0.00 0.26 0.00 0.00 34.13 31.19 3hja s GLU 128 CO 0.00 0.08 0.77 -1.50 -0.54 0.00 0.00 175.26 174.06 3hja s ILE 129 N -0.18 0.00 0.03 -3.70 2.07 -1.26 -5.00 121.20 113.16 3hja s ILE 129 Ca 0.49 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.43 3hja s ILE 129 Cb -0.29 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.22 3hja s ILE 129 CO 0.34 0.00 1.86 -0.75 -1.91 0.00 0.00 174.94 174.49 3hja s LYS 130 N -1.15 4.15 -0.14 3.50 2.47 -1.26 -4.89 119.74 122.43 3hja s LYS 130 Ca -0.08 2.51 0.00 0.00 -1.56 0.00 0.00 55.97 56.83 3hja s LYS 130 Cb -0.00 -4.01 -0.01 0.00 -1.46 0.00 0.00 37.83 32.35 3hja s LYS 130 CO 0.08 -0.90 -0.14 0.99 0.16 0.00 0.00 175.35 175.53 3hja s THR 131 N 4.01 2.86 -0.05 3.43 2.01 -1.26 -0.90 115.64 125.73 3hja s THR 131 Ca 0.83 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.17 3hja s THR 131 Cb -0.41 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 3hja s THR 131 CO 0.38 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.96 3hja s ILE 132 N 0.53 1.97 -0.19 1.82 -1.09 -0.39 -4.80 121.20 119.05 3hja s ILE 132 Ca -0.09 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 3hja s ILE 132 Cb -0.16 -1.66 0.03 0.00 -1.58 0.00 0.00 42.46 39.09 3hja s ILE 132 CO 0.04 0.55 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.46 3hja s VAL 133 N -0.21 1.89 0.37 2.92 1.01 -1.26 -4.21 120.40 120.91 3hja s VAL 133 Ca -0.01 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3hja s VAL 133 Cb -0.13 -1.82 -0.11 0.00 0.00 0.00 0.00 36.38 34.32 3hja s VAL 133 CO 0.03 0.35 1.43 -0.76 0.00 0.00 0.00 175.10 176.15 3hja s LEU 134 N 1.32 4.34 0.00 3.92 1.43 -1.26 -1.36 118.68 127.06 3hja s LEU 134 Ca 0.01 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 3hja s LEU 134 Cb -0.15 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3hja s LEU 134 CO -0.10 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.30 3hja n GLY 135 N 0.57 1.85 0.85 -3.19 0.00 -1.26 -4.86 105.19 99.14 3hja n GLY 135 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.48 1.61 0.31 -0.47 -4.90 118.33 111.31 3hja n VAL 136 Ca 0.00 0.28 -0.18 0.00 -0.01 0.00 0.00 64.34 64.43 3hja n VAL 136 Cb 0.00 -1.55 0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 -3.33 3.52 -0.25 4.52 6.94 -0.97 -4.87 115.26 120.83 3hja n ASN 137 Ca -0.02 -3.25 0.15 0.00 -0.02 0.00 0.00 54.58 51.43 3hja n ASN 137 Cb 0.07 -0.46 0.43 0.00 -2.36 0.00 0.00 39.78 37.47 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 2.61 0.55 0.71 0.53 3.32 -1.91 -2.10 116.42 120.12 3hja h ASP 138 Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hja h ASP 138 Cb 1.16 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3hja h ASP 138 CO 0.66 0.26 0.00 0.45 -1.72 0.00 0.00 179.24 178.88 3hja h HIS 139 N 0.57 0.00 0.00 4.55 3.86 -1.97 -2.13 115.15 120.03 3hja h HIS 139 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 3hja h HIS 139 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3hja h HIS 139 CO -0.00 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.54 3hja n ASP 140 N -2.68 0.00 -4.69 2.45 8.00 -0.79 -4.70 116.55 114.15 3hja n ASP 140 Ca 0.01 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 3hja n ASP 140 Cb 0.23 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.82 4.74 0.25 0.53 1.01 -0.80 -5.05 121.20 119.07 3hja s ILE 141 Ca 0.12 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.81 3hja s ILE 141 Cb 0.11 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3hja s ILE 141 CO 0.29 0.02 0.02 0.54 0.00 0.00 0.00 174.94 175.81 3hja s ASN 142 N 1.12 1.92 0.52 3.58 2.20 -1.26 -5.06 114.94 117.96 3hja s ASN 142 Ca 0.49 -1.27 0.32 0.00 -0.94 0.00 0.00 52.86 51.47 3hja s ASN 142 Cb -0.19 -0.00 1.31 0.00 -2.00 0.00 0.00 41.25 40.37 3hja s ASN 142 CO 0.19 -0.54 1.95 0.28 -2.94 0.00 0.00 177.10 176.04 3hja h SER 143 N 2.38 0.00 0.41 3.54 0.02 -1.94 -3.00 113.55 114.96 3hja h SER 143 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3hja h SER 143 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3hja h SER 143 CO 0.65 0.00 -0.13 0.47 -1.14 0.00 0.00 176.83 176.68 3hja n ASP 144 N -3.00 0.46 -4.73 3.07 8.00 -1.26 -4.90 116.55 114.18 3hja n ASP 144 Ca 0.01 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3hja n ASP 144 Cb 0.30 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.55 4.36 -0.14 0.64 1.43 -1.14 -4.92 118.68 116.36 3hja s LEU 145 Ca 0.26 2.86 0.13 0.00 -1.03 0.00 0.00 54.13 56.35 3hja s LEU 145 Cb 0.20 -3.61 -0.18 0.00 0.03 0.00 0.00 46.19 42.62 3hja s LEU 145 CO 0.50 -0.91 0.06 2.29 0.23 0.00 0.00 176.35 178.51 3hja n LYS 146 N 3.17 1.59 -3.75 1.70 -0.00 -1.26 -4.83 118.16 114.77 3hja n LYS 146 Ca 0.12 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.29 3hja n LYS 146 Cb 0.37 -1.38 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 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 -0.33 -0.00 0.58 0.00 -1.26 -1.11 121.76 117.26 3hja s ALA 147 Ca -0.07 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3hja s ALA 147 Cb 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hja s ALA 147 CO 0.60 -0.15 0.05 0.14 0.00 0.00 0.00 175.76 176.39 3hja s VAL 148 N 1.06 0.06 -0.13 0.00 -7.23 -0.63 -4.30 120.40 109.23 3hja s VAL 148 Ca -0.08 -0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.56 3hja s VAL 148 Cb -0.10 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 3hja s VAL 148 CO -0.06 -0.25 0.11 -0.55 -0.31 0.00 0.00 175.10 174.04 3hja s SER 149 N -0.78 6.12 -0.10 4.85 0.15 -0.08 -0.25 113.70 123.61 3hja s SER 149 Ca -0.09 0.36 0.09 0.00 0.70 0.00 0.00 55.95 57.01 3hja s SER 149 Cb -0.05 -1.97 0.42 0.00 -1.71 0.00 0.00 66.02 62.71 3hja s SER 149 CO 0.00 0.36 1.20 -3.20 1.20 0.00 0.00 173.24 172.80 3hja n ASN 150 N 2.33 3.21 0.00 5.45 5.15 -0.74 -1.26 115.26 129.40 3hja n ASN 150 Ca -0.19 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 3hja n ASN 150 Cb 0.54 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.42 0.00 -2.43 5.20 0.00 -1.26 -4.81 120.51 117.63 3hja n ALA 151 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 3hja n ALA 151 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 4.98 0.23 0.00 1.04 -1.26 -3.46 113.70 111.23 3hja s SER 152 Ca 0.00 -0.69 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 3hja s SER 152 Cb 0.00 -0.75 0.28 0.00 0.10 0.00 0.00 66.02 65.64 3hja s SER 152 CO 0.00 -0.43 1.86 0.00 0.98 0.00 0.00 173.24 175.64 3hja h THR 154 N 0.96 1.27 -0.76 0.00 2.02 -1.95 -1.71 112.91 112.74 3hja h THR 154 Ca 0.34 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3hja h THR 154 Cb 0.09 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3hja h THR 154 CO -0.14 0.38 0.35 0.74 0.37 0.00 0.00 175.52 177.22 3hja h THR 155 N 0.60 1.24 -0.20 3.16 2.02 -1.73 0.82 112.91 118.82 3hja h THR 155 Ca 0.11 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 3hja h THR 155 Cb 0.58 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hja h THR 155 CO 0.03 0.30 -0.01 0.78 0.37 0.00 0.00 175.52 176.99 3hja h ASN 156 N 1.09 0.26 -0.04 4.18 2.35 -0.91 0.17 115.58 122.68 3hja h ASN 156 Ca 0.26 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 3hja h ASN 156 Cb 0.14 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.44 3hja h ASN 156 CO -0.03 0.32 -0.34 0.00 -1.65 0.00 0.00 177.43 175.73 3hja h LEU 158 N -0.22 0.45 -0.69 0.00 5.85 -0.51 -3.32 115.31 116.86 3hja h LEU 158 Ca -0.03 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 57.93 3hja h LEU 158 Cb 1.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 3hja h LEU 158 CO 0.07 1.17 0.44 0.00 -0.34 0.00 0.00 178.44 179.78 3hja h ALA 159 N 0.29 0.89 -0.74 1.25 0.00 -0.88 0.40 119.26 120.47 3hja h ALA 159 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hja h ALA 159 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3hja h ALA 159 CO 0.10 0.25 0.24 -1.35 0.00 0.00 0.00 179.25 178.48 3hja h PRO 160 N 0.88 1.14 -0.09 0.00 0.11 -1.75 0.41 132.00 132.71 3hja h PRO 160 Ca 0.27 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3hja h PRO 160 Cb -0.03 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.90 3hja h PRO 160 CO -0.09 0.97 0.05 1.25 -0.21 0.00 0.00 178.00 179.97 3hja h LEU 161 N 1.10 0.11 -1.06 2.35 5.85 -1.54 -2.64 115.31 119.48 3hja h LEU 161 Ca 0.24 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hja h LEU 161 Cb 0.30 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3hja h LEU 161 CO -0.01 0.14 0.20 0.00 -0.34 0.00 0.00 178.44 178.43 3hja h ALA 162 N 0.97 1.25 -0.48 1.25 0.00 -0.79 -1.92 119.26 119.53 3hja h ALA 162 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hja h ALA 162 Cb 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3hja h ALA 162 CO -0.01 0.54 0.26 -0.22 0.00 0.00 0.00 179.25 179.83 3hja h LYS 163 N 0.85 0.50 -0.18 0.00 3.64 -0.73 0.47 116.57 121.12 3hja h LYS 163 Ca 0.20 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 3hja h LYS 163 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hja h LYS 163 CO -0.01 0.33 -0.43 0.28 -2.27 0.00 0.00 179.45 177.35 3hja h VAL 164 N 0.52 1.33 -0.59 2.00 2.07 -1.20 -1.23 116.25 119.14 3hja h VAL 164 Ca 0.20 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 3hja h VAL 164 Cb 0.07 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3hja h VAL 164 CO -0.12 0.52 0.26 -0.07 0.02 0.00 0.00 177.57 178.18 3hja h LEU 165 N 0.29 0.78 -0.09 2.57 3.38 -1.26 -0.67 115.31 120.31 3hja h LEU 165 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hja h LEU 165 Cb 1.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hja h LEU 165 CO 0.09 0.72 0.02 -0.74 0.09 0.00 0.00 178.44 178.62 3hja h HIS 166 N 0.80 0.15 -0.21 1.13 2.76 -0.83 0.59 115.15 119.53 3hja h HIS 166 Ca 0.20 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3hja h HIS 166 Cb 0.15 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3hja h HIS 166 CO 0.00 0.32 0.01 0.93 -1.30 0.00 0.00 177.93 177.89 3hja h GLU 167 N -0.06 0.31 0.12 5.26 5.08 -1.15 0.58 114.58 124.71 3hja h GLU 167 Ca 0.03 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3hja h GLU 167 Cb 0.24 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hja h GLU 167 CO 0.00 0.33 -1.41 0.77 -1.00 0.00 0.00 179.01 177.70 3hja h SER 168 N 0.30 0.40 0.00 1.42 0.02 -1.00 -3.43 113.55 111.27 3hja h SER 168 Ca 0.07 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 3hja h SER 168 Cb 0.19 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3hja h SER 168 CO 0.00 1.62 -0.52 0.49 -1.14 0.00 0.00 176.83 177.29 3hja n PHE 169 N -3.91 0.00 -0.50 3.45 3.72 0.15 -5.02 117.46 115.35 3hja n PHE 169 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3hja n PHE 169 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 1.43 -3.77 3.58 1.37 0.00 0.19 -2.69 105.19 105.30 3hja n GLY 170 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.90 4.96 -0.11 -0.61 1.01 -1.26 -0.78 121.20 123.51 3hja s ILE 171 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 3hja s ILE 171 Cb 0.00 -3.31 -0.23 0.00 0.01 0.00 0.00 42.46 38.92 3hja s ILE 171 CO 0.00 0.35 0.86 -0.33 0.00 0.00 0.00 174.94 175.82 3hja h GLU 172 N 7.72 -0.01 -2.68 2.79 5.08 -0.74 -3.47 114.58 123.26 3hja h GLU 172 Ca -0.37 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3hja h GLU 172 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 3hja h GLU 172 CO 0.62 0.82 0.34 1.14 -1.00 0.00 0.00 179.01 180.94 3hja s GLN 173 N -2.70 1.30 -0.06 2.33 -2.07 -1.21 -4.89 119.66 112.36 3hja s GLN 173 Ca -0.17 -0.62 -0.17 0.00 -1.82 0.00 0.00 55.36 52.58 3hja s GLN 173 Cb -0.02 0.51 0.03 0.00 -1.09 0.00 0.00 33.01 32.44 3hja s GLN 173 CO 0.66 -0.58 0.39 0.20 -1.32 0.00 0.00 175.29 174.63 3hja s GLY 174 N -2.79 -0.25 0.11 2.60 0.00 -0.08 -0.63 107.32 106.29 3hja s GLY 174 Ca 0.07 0.68 0.09 0.00 0.00 0.00 0.00 44.72 45.56 3hja s GLY 174 CO -0.03 0.46 -0.22 1.08 0.00 0.00 0.00 173.10 174.39 3hja s LEU 175 N -0.91 2.31 0.07 0.66 1.43 0.17 -2.32 118.68 120.11 3hja s LEU 175 Ca -0.10 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3hja s LEU 175 Cb -0.04 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3hja s LEU 175 CO 0.04 0.08 0.04 0.00 0.23 0.00 0.00 176.35 176.74 3hja s MET 176 N -1.99 0.71 -0.01 1.70 0.23 -0.57 -0.04 119.30 119.33 3hja s MET 176 Ca 0.09 -1.18 0.03 0.00 -1.03 0.00 0.00 55.69 53.60 3hja s MET 176 Cb -0.10 0.25 -0.01 0.00 -1.53 0.00 0.00 34.83 33.45 3hja s MET 176 CO 0.05 -0.17 -0.10 0.99 -2.03 0.00 0.00 175.02 173.76 3hja s THR 177 N -3.92 0.81 -0.20 3.16 2.01 -0.42 -1.40 115.64 115.68 3hja s THR 177 Ca 0.09 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 3hja s THR 177 Cb 0.07 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 3hja s THR 177 CO -0.09 0.23 0.02 0.28 -0.69 0.00 0.00 174.62 174.38 3hja s THR 178 N -0.15 4.14 -0.36 -0.82 -1.32 -0.62 0.15 115.64 116.66 3hja s THR 178 Ca 0.02 -0.25 -0.16 0.00 -1.21 0.00 0.00 61.69 60.10 3hja s THR 178 Cb -0.05 -2.88 -0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3hja s THR 178 CO -0.00 0.42 0.37 -0.69 -2.21 0.00 0.00 174.62 172.51 3hja s VAL 179 N 0.97 5.16 -0.03 5.08 1.01 -0.39 -0.71 120.40 131.49 3hja s VAL 179 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3hja s VAL 179 Cb -0.14 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3hja s VAL 179 CO 0.02 -0.18 -0.06 -2.28 0.00 0.00 0.00 175.10 172.60 3hja s HIS 180 N 2.02 0.75 0.65 5.22 5.04 0.39 -1.15 115.29 128.21 3hja s HIS 180 Ca 0.11 -0.18 -0.17 0.00 -1.54 0.00 0.00 55.06 53.28 3hja s HIS 180 Cb -0.17 -0.58 -0.03 0.00 0.04 0.00 0.00 32.58 31.85 3hja s HIS 180 CO 0.12 -0.11 0.94 0.00 -2.34 0.00 0.00 174.74 173.35 3hja n ALA 181 N 3.48 -0.06 -1.37 1.58 0.00 -1.15 -1.05 120.51 121.94 3hja n ALA 181 Ca -0.20 -0.07 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 3hja n ALA 181 Cb 0.54 -2.10 0.07 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 -1.63 2.56 0.30 0.00 -0.85 -0.79 -4.71 117.35 112.22 3hja s TYR 182 Ca 0.75 1.56 0.02 0.00 -0.52 0.00 0.00 57.07 58.88 3hja s TYR 182 Cb -0.39 -3.13 -0.05 0.00 0.38 0.00 0.00 41.96 38.78 3hja s TYR 182 CO 0.48 -1.79 0.10 0.95 -1.52 0.00 0.00 175.55 173.77 3hja s THR 183 N -2.59 0.65 -1.09 -3.49 -4.23 -1.26 -4.73 115.64 98.89 3hja s THR 183 Ca 0.65 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3hja s THR 183 Cb -0.19 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.06 3hja s THR 183 CO 0.49 0.00 1.05 0.59 -0.54 0.00 0.00 174.62 176.20 3hja n ASN 184 N -0.68 0.00 0.09 3.99 3.02 -1.26 -1.03 115.26 119.38 3hja n ASN 184 Ca -0.01 0.45 0.11 0.00 -0.03 0.00 0.00 54.58 55.10 3hja n ASN 184 Cb 0.66 -0.46 0.45 0.00 -0.61 0.00 0.00 39.78 39.82 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 -1.46 0.50 -3.16 6.41 2.03 -1.26 -4.85 116.55 114.75 3hja n ASP 185 Ca 0.01 0.60 -0.09 0.00 0.52 0.00 0.00 54.79 55.82 3hja n ASP 185 Cb 0.03 -0.71 0.04 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.02 0.50 -4.93 -0.67 6.02 -0.20 -4.97 117.38 111.12 3hja n GLN 186 Ca 0.03 -1.24 -0.28 0.00 -0.01 0.00 0.00 57.00 55.51 3hja n GLN 186 Cb 0.27 -0.22 -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 -3.40 1.69 0.12 -1.09 1.81 -1.24 -5.02 118.95 111.83 3hja s ARG 187 Ca 0.28 -0.92 -0.13 0.00 -1.72 0.00 0.00 55.73 53.24 3hja s ARG 187 Cb -0.02 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.70 3hja s ARG 187 CO 0.18 0.46 1.49 0.97 -0.68 0.00 0.00 175.30 177.72 3hja h ILE 188 N 4.43 1.28 -3.61 1.52 6.09 -1.93 0.14 117.51 125.43 3hja h ILE 188 Ca -0.42 -1.34 -0.35 0.00 -1.37 0.00 0.00 64.86 61.37 3hja h ILE 188 Cb 1.14 1.35 -0.14 0.00 0.47 0.00 0.00 36.82 39.64 3hja h ILE 188 CO 0.45 0.44 -0.63 -0.76 -3.07 0.00 0.00 178.15 174.58 3hja s LEU 189 N -9.10 1.90 -0.02 2.19 1.43 -1.26 -3.90 118.68 109.93 3hja s LEU 189 Ca -0.12 -1.30 -0.35 0.00 -1.03 0.00 0.00 54.13 51.33 3hja s LEU 189 Cb 0.10 -0.09 -0.13 0.00 0.03 0.00 0.00 46.19 46.10 3hja s LEU 189 CO 0.83 -0.64 1.73 0.47 0.23 0.00 0.00 176.35 178.97 3hja n ASP 190 N -0.42 3.07 -3.59 2.29 8.00 -1.26 -4.37 116.55 120.28 3hja n ASP 190 Ca -0.03 1.03 -0.17 0.00 0.71 0.00 0.00 54.79 56.34 3hja n ASP 190 Cb 0.65 -1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.34 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 2.74 -0.33 0.34 0.64 2.96 -0.08 -4.97 118.68 119.99 3hja s LEU 191 Ca 0.88 0.67 -0.27 0.00 -0.22 0.00 0.00 54.13 55.19 3hja s LEU 191 Cb -0.75 2.24 -0.13 0.00 0.50 0.00 0.00 46.19 48.05 3hja s LEU 191 CO 0.49 -0.53 1.03 -2.65 -1.32 0.00 0.00 176.35 173.36 3hja n PRO 192 N 1.22 1.42 -3.59 0.98 -0.02 -1.26 -4.47 135.00 129.28 3hja n PRO 192 Ca -0.19 0.50 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 3hja n PRO 192 Cb 0.57 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.15 -0.57 0.34 6.00 2.46 -1.26 -4.92 115.29 116.19 3hja s HIS 193 Ca 0.60 1.06 0.17 0.00 0.47 0.00 0.00 55.06 57.35 3hja s HIS 193 Cb -0.64 0.32 0.87 0.00 -0.13 0.00 0.00 32.58 33.01 3hja s HIS 193 CO 0.59 -0.52 1.86 0.66 -2.47 0.00 0.00 174.74 174.86 3hja h SER 194 N 3.51 0.00 -3.58 9.88 4.64 -1.97 -3.37 113.55 122.66 3hja h SER 194 Ca -0.28 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.38 3hja h SER 194 Cb 1.15 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.08 3hja h SER 194 CO 0.35 0.31 0.08 -0.62 -0.87 0.00 0.00 176.83 176.08 3hja s ASP 195 N -6.68 6.31 0.49 4.97 -1.08 -1.26 -4.96 116.67 114.46 3hja s ASP 195 Ca -0.02 -0.38 0.33 0.00 -0.52 0.00 0.00 52.55 51.96 3hja s ASP 195 Cb 0.14 -2.31 1.63 0.00 -1.46 0.00 0.00 42.92 40.92 3hja s ASP 195 CO 0.69 -0.75 2.00 -0.07 0.52 0.00 0.00 175.17 177.56 3hja h LEU 196 N 9.60 0.00 0.15 -1.34 3.38 -2.00 -1.48 115.31 123.63 3hja h LEU 196 Ca -0.26 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 3hja h LEU 196 Cb 1.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.87 3hja h LEU 196 CO 0.88 0.00 -1.11 0.03 0.09 0.00 0.00 178.44 178.33 3hja h ARG 197 N 0.00 0.32 0.00 1.13 2.47 -1.93 -3.26 114.38 113.12 3hja h ARG 197 Ca 0.00 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 3hja h ARG 197 Cb 0.19 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3hja h ARG 197 CO 0.00 1.27 0.00 0.54 0.56 0.00 0.00 179.97 182.34 3hja n ARG 198 N -3.99 0.03 0.18 0.04 1.74 -0.78 -1.93 116.66 111.94 3hja n ARG 198 Ca -0.18 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.29 3hja n ARG 198 Cb 0.89 -1.50 0.61 0.00 -1.02 0.00 0.00 32.46 31.44 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 2.49 1.00 -2.78 7.54 0.00 -1.34 -3.28 119.26 122.89 3hja h ALA 199 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3hja h ALA 199 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3hja h ALA 199 CO 0.00 0.00 -0.43 1.03 0.00 0.00 0.00 179.25 179.85 3hja s ARG 200 N -3.50 3.52 -0.43 0.00 1.81 -0.81 -0.90 118.95 118.64 3hja s ARG 200 Ca 0.01 -0.22 -0.41 0.00 -1.72 0.00 0.00 55.73 53.39 3hja s ARG 200 Cb 0.09 -3.05 -0.17 0.00 -0.45 0.00 0.00 34.95 31.37 3hja s ARG 200 CO 0.37 0.63 2.03 0.00 -0.68 0.00 0.00 175.30 177.64 3hja n ALA 201 N 0.79 0.19 0.13 2.13 0.00 -1.26 -4.36 120.51 118.13 3hja n ALA 201 Ca -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 3hja n ALA 201 Cb 0.52 -2.21 0.20 0.00 0.00 0.00 0.00 19.45 17.96 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 9.15 1.03 -0.11 0.00 0.00 -1.07 -2.78 119.26 125.48 3hja h ALA 202 Ca -0.24 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hja h ALA 202 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hja h ALA 202 CO 1.04 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.99 3hja n ALA 203 N -2.44 2.53 0.62 0.00 0.00 -1.26 -4.12 120.51 115.83 3hja n ALA 203 Ca -0.02 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.95 3hja n ALA 203 Cb 0.57 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 0.46 0.62 -3.85 0.00 4.77 -1.05 -4.79 117.00 113.16 3hja n LEU 204 Ca 0.17 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 3hja n LEU 204 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3hja n LEU 204 CO 0.15 0.16 -0.10 -0.44 -1.33 0.00 0.00 177.39 175.82 3hja s SER 205 N -2.82 0.08 -0.10 -1.43 0.01 -1.24 -5.07 113.70 103.14 3hja s SER 205 Ca 0.04 -0.52 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 3hja s SER 205 Cb 0.12 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.65 3hja s SER 205 CO 0.68 -0.65 0.97 -0.63 0.41 0.00 0.00 173.24 174.02 3hja s ILE 206 N -3.25 4.82 -0.29 1.44 1.01 -1.26 -4.19 121.20 119.48 3hja s ILE 206 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3hja s ILE 206 Cb 0.02 -4.28 0.09 0.00 0.01 0.00 0.00 42.46 38.29 3hja s ILE 206 CO -0.08 0.04 0.05 -0.63 0.00 0.00 0.00 174.94 174.32 3hja s ILE 207 N 1.84 1.28 0.36 2.92 1.01 0.36 -4.95 121.20 124.04 3hja s ILE 207 Ca 0.47 -1.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 3hja s ILE 207 Cb -0.18 -1.85 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 3hja s ILE 207 CO 0.19 -0.48 1.31 -2.84 0.00 0.00 0.00 174.94 173.12 3hja s PRO 208 N 1.44 4.20 -0.06 2.79 0.02 -1.26 -0.39 135.00 141.73 3hja s PRO 208 Ca 0.05 2.21 -0.20 0.00 0.02 0.00 0.00 61.00 63.09 3hja s PRO 208 Cb -0.18 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.44 3hja s PRO 208 CO -0.16 -0.32 0.45 -0.08 -0.33 0.00 0.00 177.00 176.56 3hja s THR 209 N -1.19 0.03 0.66 0.99 -1.32 0.24 -4.75 115.64 110.29 3hja s THR 209 Ca 0.52 -0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 60.64 3hja s THR 209 Cb -0.39 -0.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 3hja s THR 209 CO 0.52 -0.13 1.05 -0.94 -2.21 0.00 0.00 174.62 172.91 3hja s SER 210 N -0.94 5.60 -0.05 8.08 1.04 -1.26 -1.51 113.70 124.67 3hja s SER 210 Ca -0.10 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 3hja s SER 210 Cb -0.03 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3hja s SER 210 CO 0.05 -1.29 0.11 0.28 0.98 0.00 0.00 173.24 173.37 3hja s THR 211 N -2.90 -0.01 -2.38 2.02 -1.32 -1.26 -4.73 115.64 105.05 3hja s THR 211 Ca 0.59 0.04 0.24 0.00 -1.21 0.00 0.00 61.69 61.35 3hja s THR 211 Cb -0.14 -0.18 0.48 0.00 -1.51 0.00 0.00 72.50 71.16 3hja s THR 211 CO 0.50 0.02 1.61 0.61 -2.21 0.00 0.00 174.62 175.14 3hja n GLY 212 N 3.30 0.26 0.26 6.08 0.00 -1.26 -4.58 105.19 109.25 3hja n GLY 212 Ca -0.16 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 4.20 1.71 0.22 4.61 0.00 -1.95 0.23 119.26 128.28 3hja h ALA 213 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 3hja h ALA 213 Cb 0.52 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hja h ALA 213 CO 0.00 0.22 -1.37 0.00 0.00 0.00 0.00 179.25 178.11 3hja h ALA 214 N 1.79 -0.09 -0.73 0.00 0.00 -1.88 -3.18 119.26 115.17 3hja h ALA 214 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 54.91 54.11 3hja h ALA 214 Cb 0.17 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hja h ALA 214 CO 0.00 0.67 0.48 0.87 0.00 0.00 0.00 179.25 181.27 3hja h LYS 215 N -0.00 0.90 0.00 0.00 1.57 -1.49 -2.85 116.57 114.70 3hja h LYS 215 Ca -0.25 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hja h LYS 215 Cb 2.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.13 3hja h LYS 215 CO 0.23 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 3hja h ALA 216 N 1.56 1.00 -0.60 3.86 0.00 -0.97 -1.87 119.26 122.25 3hja h ALA 216 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.32 3hja h ALA 216 Cb -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hja h ALA 216 CO -0.07 0.00 0.41 0.28 0.00 0.00 0.00 179.25 179.87 3hja h VAL 217 N 0.00 0.81 0.00 0.00 2.07 -1.48 -0.93 116.25 116.72 3hja h VAL 217 Ca 0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3hja h VAL 217 Cb 0.35 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3hja h VAL 217 CO 0.00 0.04 -0.08 1.23 0.02 0.00 0.00 177.57 178.79 3hja h GLY 218 N 0.24 0.00 1.72 2.17 0.00 -1.51 0.30 103.07 105.98 3hja h GLY 218 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 3hja h GLY 218 CO -0.06 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.50 3hja h LEU 219 N 0.00 0.33 0.00 3.11 3.38 -1.34 -3.19 115.31 117.60 3hja h LEU 219 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hja h LEU 219 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hja h LEU 219 CO 0.01 0.70 -1.67 1.33 0.09 0.00 0.00 178.44 178.90 3hja n VAL 220 N -4.04 0.00 -3.60 1.22 0.24 -0.75 -4.68 118.33 106.73 3hja n VAL 220 Ca -0.01 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.34 61.64 3hja n VAL 220 Cb 0.48 0.22 -0.11 0.00 -1.47 0.00 0.00 33.84 32.96 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 -4.03 2.53 0.55 1.34 1.43 0.97 -4.57 118.68 116.90 3hja s LEU 221 Ca -0.05 -3.10 0.23 0.00 -1.03 0.00 0.00 54.13 50.19 3hja s LEU 221 Cb 0.12 -0.87 1.51 0.00 0.03 0.00 0.00 46.19 46.98 3hja s LEU 221 CO 0.74 -0.18 2.15 -0.65 0.23 0.00 0.00 176.35 178.63 3hja h PRO 222 N 5.93 0.00 0.00 1.29 0.11 -1.78 0.46 132.00 138.00 3hja h PRO 222 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3hja h PRO 222 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3hja h PRO 222 CO 0.48 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.17 3hja h GLU 223 N 0.00 0.00 -0.63 1.05 5.08 -1.94 -2.15 114.58 115.99 3hja h GLU 223 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hja h GLU 223 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hja h GLU 223 CO -0.00 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 3hja n LEU 224 N -3.66 3.80 -4.72 1.33 4.77 0.15 -4.91 117.00 113.76 3hja n LEU 224 Ca -0.03 -1.86 -0.43 0.00 -0.03 0.00 0.00 56.01 53.67 3hja n LEU 224 Cb 0.12 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3hja n LEU 224 CO 0.27 0.92 1.32 1.17 -1.33 0.00 0.00 177.39 179.74 3hja n LYS 225 N 1.58 2.68 -0.82 3.23 4.81 -0.81 -1.42 118.16 127.41 3hja n LYS 225 Ca 0.23 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 3hja n LYS 225 Cb 0.61 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.88 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 3.59 1.02 0.00 3.14 0.00 -1.26 -4.88 105.19 106.80 3hja n GLY 226 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 0.22 -4.53 1.61 5.02 -0.50 -4.96 118.16 113.02 3hja n LYS 227 Ca 0.00 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.04 3hja n LYS 227 Cb 0.00 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.31 2.04 0.28 -0.35 1.43 -1.26 -0.90 118.68 116.62 3hja s LEU 228 Ca 0.05 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3hja s LEU 228 Cb 0.15 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 3hja s LEU 228 CO 0.87 0.14 0.43 0.21 0.23 0.00 0.00 176.35 178.23 3hja s ASN 229 N -0.35 0.36 0.00 2.29 3.84 -0.98 -3.40 114.94 116.70 3hja s ASN 229 Ca 0.04 -1.23 0.00 0.00 0.21 0.00 0.00 52.86 51.88 3hja s ASN 229 Cb -0.05 0.59 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 3hja s ASN 229 CO -0.00 -1.17 0.00 0.61 -2.79 0.00 0.00 177.10 173.74 3hja n GLY 230 N -0.44 0.55 3.33 1.21 0.00 -1.26 -1.51 105.19 107.06 3hja n GLY 230 Ca -0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.08 0.01 0.05 2.61 -1.32 -0.49 -4.42 115.64 109.99 3hja s THR 231 Ca 0.00 -1.78 0.07 0.00 -1.21 0.00 0.00 61.69 58.77 3hja s THR 231 Cb 0.00 -2.35 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 3hja s THR 231 CO 0.00 -0.04 -0.20 -0.55 -2.21 0.00 0.00 174.62 171.63 3hja s SER 232 N -3.10 2.34 -0.21 8.08 0.15 -0.57 -1.58 113.70 118.81 3hja s SER 232 Ca 0.32 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.45 3hja s SER 232 Cb 0.04 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 3hja s SER 232 CO 0.10 0.12 -0.10 -0.04 1.20 0.00 0.00 173.24 174.53 3hja s MET 233 N -1.26 1.98 -0.16 5.44 -1.94 0.11 -0.59 119.30 122.88 3hja s MET 233 Ca 0.06 -0.88 -0.27 0.00 -1.71 0.00 0.00 55.69 52.89 3hja s MET 233 Cb -0.09 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 3hja s MET 233 CO 0.02 -0.45 0.93 1.03 -0.01 0.00 0.00 175.02 176.53 3hja s ARG 234 N 1.38 4.33 0.30 2.03 1.81 0.47 -0.46 118.95 128.81 3hja s ARG 234 Ca -0.02 1.20 0.09 0.00 -1.72 0.00 0.00 55.73 55.28 3hja s ARG 234 Cb -0.17 -3.58 -0.06 0.00 -0.45 0.00 0.00 34.95 30.70 3hja s ARG 234 CO -0.08 -0.39 -0.10 0.14 -0.68 0.00 0.00 175.30 174.19 3hja s VAL 235 N 2.32 2.02 -1.33 3.52 -7.23 -0.21 -0.49 120.40 119.00 3hja s VAL 235 Ca 0.43 -2.21 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 3hja s VAL 235 Cb -0.17 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3hja s VAL 235 CO 0.13 -0.31 2.40 -2.65 -0.31 0.00 0.00 175.10 174.36 3hja n PRO 236 N -0.65 2.80 -4.45 4.82 -0.02 -1.26 -2.90 135.00 133.34 3hja n PRO 236 Ca -0.05 -2.19 -0.24 0.00 -2.02 0.00 0.00 63.50 58.99 3hja n PRO 236 Cb 0.63 -2.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.01 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 3.18 1.62 0.07 -1.45 -7.23 -1.26 -5.02 120.40 110.32 3hja s VAL 237 Ca 0.55 -1.33 0.11 0.00 -1.81 0.00 0.00 61.98 59.50 3hja s VAL 237 Cb 0.15 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 3hja s VAL 237 CO -0.04 0.06 1.44 1.55 -0.31 0.00 0.00 175.10 177.80 3hja h PRO 238 N 4.52 0.00 -3.27 4.82 0.13 -1.87 -2.10 132.00 134.23 3hja h PRO 238 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3hja h PRO 238 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3hja h PRO 238 CO 0.42 0.72 0.03 -0.08 -0.23 0.00 0.00 178.00 178.86 3hja s THR 239 N -3.03 0.04 0.00 1.56 -1.32 -1.26 -4.65 115.64 106.97 3hja s THR 239 Ca 0.01 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 3hja s THR 239 Cb 0.10 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3hja s THR 239 CO 0.77 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 3hja n GLY 240 N -0.31 1.84 3.22 6.08 0.00 -1.26 -4.85 105.19 109.92 3hja n GLY 240 Ca -0.14 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 0.17 -0.10 1.61 0.01 0.20 -2.94 113.70 112.64 3hja s SER 241 Ca 0.00 -1.29 -0.04 0.00 1.31 0.00 0.00 55.95 55.92 3hja s SER 241 Cb 0.00 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.66 3hja s SER 241 CO 0.00 -0.84 0.21 -0.51 0.41 0.00 0.00 173.24 172.52 3hja s ILE 242 N -4.12 -0.15 -0.02 1.44 2.07 -0.30 -1.32 121.20 118.81 3hja s ILE 242 Ca 0.33 0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 59.58 3hja s ILE 242 Cb 0.06 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 3hja s ILE 242 CO 0.09 0.09 0.62 -0.69 -1.91 0.00 0.00 174.94 173.13 3hja s VAL 243 N 1.64 4.93 -0.34 4.00 1.01 0.36 -1.26 120.40 130.74 3hja s VAL 243 Ca -0.05 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.24 3hja s VAL 243 Cb -0.11 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.41 3hja s VAL 243 CO -0.08 0.39 0.06 -0.62 0.00 0.00 0.00 175.10 174.85 3hja s ASP 244 N 0.00 4.66 -0.23 3.32 2.15 0.12 -0.86 116.67 125.84 3hja s ASP 244 Ca 0.32 -2.08 -0.06 0.00 0.43 0.00 0.00 52.55 51.16 3hja s ASP 244 Cb -0.18 -1.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.90 3hja s ASP 244 CO 0.17 -0.38 0.04 -0.22 -0.17 0.00 0.00 175.17 174.60 3hja s LEU 245 N 1.01 3.32 -0.33 -1.34 2.96 0.26 -1.30 118.68 123.26 3hja s LEU 245 Ca 0.11 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3hja s LEU 245 Cb -0.19 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3hja s LEU 245 CO -0.11 -0.00 0.13 -0.89 -1.32 0.00 0.00 176.35 174.16 3hja s THR 246 N 1.42 4.11 0.07 3.68 2.01 0.94 -0.61 115.64 127.26 3hja s THR 246 Ca 0.05 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.28 3hja s THR 246 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3hja s THR 246 CO 0.02 -0.09 -0.24 0.68 -0.69 0.00 0.00 174.62 174.30 3hja s VAL 247 N 1.49 2.34 -0.35 3.82 -7.23 0.37 -0.65 120.40 120.18 3hja s VAL 247 Ca 0.01 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3hja s VAL 247 Cb -0.18 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3hja s VAL 247 CO 0.04 0.28 0.37 -1.10 -0.31 0.00 0.00 175.10 174.38 3hja s GLN 248 N -1.52 3.49 0.13 4.82 -0.21 0.20 -1.36 119.66 125.20 3hja s GLN 248 Ca 0.13 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 55.03 3hja s GLN 248 Cb -0.10 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 3hja s GLN 248 CO 0.04 -0.57 0.29 -0.51 -2.12 0.00 0.00 175.29 172.42 3hja s LEU 249 N 2.02 4.32 0.35 2.90 1.43 0.42 0.01 118.68 130.12 3hja s LEU 249 Ca 0.12 0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.69 3hja s LEU 249 Cb -0.17 -3.02 0.53 0.00 0.03 0.00 0.00 46.19 43.56 3hja s LEU 249 CO 0.12 0.07 1.66 0.11 0.23 0.00 0.00 176.35 178.54 3hja h LYS 250 N 2.51 0.00 -6.45 1.70 1.57 -0.74 -3.41 116.57 111.76 3hja h LYS 250 Ca -0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 3hja h LYS 250 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 3hja h LYS 250 CO 0.71 0.41 1.04 0.21 -0.57 0.00 0.00 179.45 181.26 3hja s LYS 251 N -3.43 3.33 0.00 3.15 2.20 -1.10 -4.87 119.74 119.01 3hja s LYS 251 Ca 0.01 0.13 0.28 0.00 -0.36 0.00 0.00 55.97 56.04 3hja s LYS 251 Cb 0.10 -4.11 1.15 0.00 -1.51 0.00 0.00 37.83 33.46 3hja s LYS 251 CO 0.70 -1.93 1.85 1.63 -0.36 0.00 0.00 175.35 177.24 3hja n LYS 252 N 8.84 0.10 -0.61 4.03 4.76 -1.26 -2.80 118.16 131.22 3hja n LYS 252 Ca 0.08 -0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.53 3hja n LYS 252 Cb 0.49 -1.50 0.24 0.00 -1.84 0.00 0.00 35.03 32.42 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 -1.44 3.52 -4.77 4.39 5.75 -1.26 -2.34 116.55 120.41 3hja n ASP 253 Ca 0.08 -3.27 -0.40 0.00 -0.01 0.00 0.00 54.79 51.19 3hja n ASP 253 Cb 0.32 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.81 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 -2.98 2.71 0.33 2.12 0.11 -1.12 -5.01 120.40 116.57 3hja s VAL 254 Ca 0.44 0.67 0.09 0.00 -2.93 0.00 0.00 61.98 60.25 3hja s VAL 254 Cb 0.37 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.76 3hja s VAL 254 CO 0.07 0.13 0.04 0.42 -3.33 0.00 0.00 175.10 172.42 3hja s THR 255 N -1.22 2.82 0.18 5.04 -4.23 -1.26 -4.71 115.64 112.26 3hja s THR 255 Ca 0.53 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 3hja s THR 255 Cb -0.38 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 70.76 3hja s THR 255 CO 0.50 -0.22 1.65 0.50 -0.54 0.00 0.00 174.62 176.50 3hja h LYS 256 N 1.77 -0.03 -0.82 3.99 3.64 -1.94 -1.49 116.57 121.68 3hja h LYS 256 Ca -0.43 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3hja h LYS 256 Cb 1.25 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3hja h LYS 256 CO 0.65 -0.02 0.36 0.93 -2.27 0.00 0.00 179.45 179.09 3hja h GLU 257 N -0.03 1.21 -0.54 1.90 5.08 -1.97 -0.34 114.58 119.89 3hja h GLU 257 Ca 0.23 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3hja h GLU 257 Cb 0.38 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hja h GLU 257 CO -0.50 0.96 0.12 0.93 -1.00 0.00 0.00 179.01 179.51 3hja h GLU 258 N 1.19 0.88 0.19 2.33 5.08 -1.86 0.76 114.58 123.14 3hja h GLU 258 Ca 0.28 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hja h GLU 258 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hja h GLU 258 CO -0.03 0.84 -0.09 0.82 -1.00 0.00 0.00 179.01 179.55 3hja h ILE 259 N 0.77 0.85 -0.80 3.13 2.04 -0.96 -1.82 117.51 120.73 3hja h ILE 259 Ca 0.17 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hja h ILE 259 Cb 0.36 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3hja h ILE 259 CO 0.00 0.05 0.53 0.78 0.00 0.00 0.00 178.15 179.51 3hja h ASN 260 N -0.35 0.92 -0.13 1.72 2.35 -1.00 -1.77 115.58 117.31 3hja h ASN 260 Ca -0.03 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3hja h ASN 260 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3hja h ASN 260 CO 0.04 0.67 0.03 -1.28 -1.65 0.00 0.00 177.43 175.23 3hja h SER 261 N 1.09 0.21 0.13 5.81 0.87 -0.72 0.36 113.55 121.30 3hja h SER 261 Ca 0.29 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3hja h SER 261 Cb -0.12 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3hja h SER 261 CO -0.06 0.40 -0.24 -0.37 -0.53 0.00 0.00 176.83 176.03 3hja h VAL 262 N 0.00 1.22 -0.19 2.23 -1.51 -1.15 -1.35 116.25 115.51 3hja h VAL 262 Ca 0.04 -1.03 -0.14 0.00 -1.23 0.00 0.00 66.70 64.34 3hja h VAL 262 Cb 0.28 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3hja h VAL 262 CO 0.00 0.31 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.14 3hja h LEU 263 N 0.18 0.71 0.02 4.19 3.38 -1.07 -0.87 115.31 121.85 3hja h LEU 263 Ca 0.03 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.44 3hja h LEU 263 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hja h LEU 263 CO 0.04 1.15 -0.04 -0.09 0.09 0.00 0.00 178.44 179.58 3hja h ARG 264 N 0.30 -0.09 -0.51 1.13 2.43 -0.81 -2.12 114.38 114.71 3hja h ARG 264 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3hja h ARG 264 Cb 1.05 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3hja h ARG 264 CO 0.10 -0.06 0.32 0.87 -1.51 0.00 0.00 179.97 179.69 3hja h LYS 265 N -0.09 0.62 -0.85 0.20 1.57 -1.24 -2.42 116.57 114.36 3hja h LYS 265 Ca 0.01 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3hja h LYS 265 Cb 0.10 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3hja h LYS 265 CO -0.03 0.41 0.55 0.00 -0.57 0.00 0.00 179.45 179.82 3hja h ALA 266 N 1.21 1.56 0.00 3.86 0.00 -1.05 -1.74 119.26 123.10 3hja h ALA 266 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hja h ALA 266 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hja h ALA 266 CO -0.07 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.16 3hja h SER 267 N 0.96 0.00 -0.01 0.00 4.64 -0.87 -2.70 113.55 115.57 3hja h SER 267 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hja h SER 267 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hja h SER 267 CO -0.13 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.10 3hja n GLU 268 N -2.85 1.89 -2.66 4.77 1.02 -0.66 -3.89 120.64 118.25 3hja n GLU 268 Ca 0.00 -1.47 -0.32 0.00 -0.02 0.00 0.00 57.16 55.35 3hja n GLU 268 Cb 0.22 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.12 4.59 0.37 2.62 -4.23 -1.02 -4.86 115.64 110.99 3hja s THR 269 Ca 0.28 1.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.94 3hja s THR 269 Cb 0.20 -3.69 0.18 0.00 1.34 0.00 0.00 72.50 70.52 3hja s THR 269 CO 0.37 -0.53 1.92 -0.65 -0.54 0.00 0.00 174.62 175.19 3hja h PRO 270 N 1.31 0.41 0.00 3.99 0.11 -1.93 0.58 132.00 136.46 3hja h PRO 270 Ca -0.47 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3hja h PRO 270 Cb 1.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hja h PRO 270 CO 0.62 0.45 -0.11 0.93 -0.21 0.00 0.00 178.00 179.68 3hja h GLU 271 N 0.39 0.00 0.00 1.05 3.07 -1.93 -3.32 114.58 113.84 3hja h GLU 271 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3hja h GLU 271 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3hja h GLU 271 CO 0.01 0.11 0.00 1.28 -1.40 0.00 0.00 179.01 179.01 3hja n LEU 272 N -4.19 0.55 -4.71 1.33 4.77 -0.81 -4.49 117.00 109.45 3hja n LEU 272 Ca -0.03 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 3hja n LEU 272 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3hja n LEU 272 CO 0.34 0.14 1.32 0.29 -1.33 0.00 0.00 177.39 178.14 3hja n LYS 273 N -0.38 2.64 0.00 3.23 4.76 0.13 -0.64 118.16 127.90 3hja n LYS 273 Ca 0.00 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 3hja n LYS 273 Cb 0.01 -2.77 0.00 0.00 -1.84 0.00 0.00 35.03 30.43 3hja n LYS 273 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hja n GLY 274 N 3.60 2.76 0.31 0.72 0.00 -1.26 -4.80 105.19 106.52 3hja n GLY 274 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 1.36 -3.52 -0.61 5.41 0.18 -4.04 119.36 116.14 3hja n ILE 275 Ca 0.00 0.21 -0.38 0.00 1.00 0.00 0.00 62.75 63.59 3hja n ILE 275 Cb 0.00 -2.13 -0.09 0.00 -0.71 0.00 0.00 39.64 36.71 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 -7.55 4.09 0.43 1.39 2.96 -0.05 -0.86 118.68 119.09 3hja s LEU 276 Ca -0.21 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3hja s LEU 276 Cb 0.03 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3hja s LEU 276 CO 0.31 -0.04 0.28 -0.83 -1.32 0.00 0.00 176.35 174.75 3hja s GLY 277 N 1.29 2.26 -0.09 7.98 0.00 0.26 -4.47 107.32 114.55 3hja s GLY 277 Ca 0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 44.72 42.84 3hja s GLY 277 CO 0.08 -1.83 0.23 -0.47 0.00 0.00 0.00 173.10 171.11 3hja s TYR 278 N -2.57 -0.27 0.04 1.90 5.04 -1.26 -0.99 117.35 119.24 3hja s TYR 278 Ca 0.43 0.66 -0.03 0.00 -2.44 0.00 0.00 57.07 55.69 3hja s TYR 278 Cb 0.00 0.08 -0.02 0.00 0.35 0.00 0.00 41.96 42.37 3hja s TYR 278 CO 0.24 -0.15 0.03 -0.08 -1.34 0.00 0.00 175.55 174.25 3hja s THR 279 N 0.40 0.15 -0.06 4.34 -1.32 -0.39 -4.92 115.64 113.84 3hja s THR 279 Ca -0.02 -1.27 0.07 0.00 -1.21 0.00 0.00 61.69 59.26 3hja s THR 279 Cb -0.04 -0.94 0.11 0.00 -1.51 0.00 0.00 72.50 70.13 3hja s THR 279 CO -0.02 -0.70 1.06 -0.62 -2.21 0.00 0.00 174.62 172.13 3hja n GLU 280 N 0.76 2.39 -2.78 7.08 1.02 -1.26 -0.20 120.64 127.64 3hja n GLU 280 Ca -0.19 -1.90 -0.38 0.00 -0.02 0.00 0.00 57.16 54.67 3hja n GLU 280 Cb 0.58 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.67 7.44 -1.32 1.62 1.01 -1.26 -4.73 116.67 117.76 3hja s ASP 281 Ca 0.12 1.87 -0.17 0.00 0.71 0.00 0.00 52.55 55.08 3hja s ASP 281 Cb 0.10 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.49 3hja s ASP 281 CO 0.01 0.02 1.90 -0.81 0.21 0.00 0.00 175.17 176.50 3hja n PRO 282 N 0.90 2.95 -2.70 8.23 -0.04 -1.26 -4.90 135.00 138.18 3hja n PRO 282 Ca 0.00 -2.99 -0.22 0.00 -0.04 0.00 0.00 63.50 60.26 3hja n PRO 282 Cb 0.49 -3.44 0.07 0.00 -0.04 0.00 0.00 33.50 30.58 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 4.39 2.38 0.29 0.52 -4.36 -1.26 -5.13 121.20 118.03 3hja s ILE 283 Ca 0.53 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 3hja s ILE 283 Cb 0.07 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 3hja s ILE 283 CO 0.04 0.00 0.12 0.68 0.24 0.00 0.00 174.94 176.01 3hja s VAL 284 N -2.88 0.55 0.34 8.37 -7.23 -1.26 -5.05 120.40 113.24 3hja s VAL 284 Ca 0.62 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3hja s VAL 284 Cb -0.07 -2.59 0.24 0.00 0.56 0.00 0.00 36.38 34.52 3hja s VAL 284 CO 0.41 0.00 1.98 0.77 -0.31 0.00 0.00 175.10 177.95 3hja h SER 285 N 2.25 0.71 -0.62 4.85 4.64 -1.97 -0.48 113.55 122.94 3hja h SER 285 Ca -0.37 -0.04 0.13 0.00 -0.47 0.00 0.00 61.79 61.04 3hja h SER 285 Cb 1.25 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 3hja h SER 285 CO 0.59 0.56 0.42 0.28 -0.87 0.00 0.00 176.83 177.80 3hja h SER 286 N 0.82 0.25 0.74 4.97 0.02 -1.97 -1.36 113.55 117.01 3hja h SER 286 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3hja h SER 286 Cb -0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3hja h SER 286 CO -0.04 0.14 0.00 0.44 -1.14 0.00 0.00 176.83 176.23 3hja h ASP 287 N 0.27 0.00 -0.02 3.07 3.32 -1.49 -2.63 116.42 118.94 3hja h ASP 287 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hja h ASP 287 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3hja h ASP 287 CO -0.07 0.00 -0.25 2.30 -1.72 0.00 0.00 179.24 179.50 3hja n ILE 288 N -2.67 0.00 -1.69 0.35 -6.64 -0.52 -4.89 119.36 103.30 3hja n ILE 288 Ca 0.01 -0.37 -0.44 0.00 -1.77 0.00 0.00 62.75 60.17 3hja n ILE 288 Cb 0.23 1.37 -0.03 0.00 -1.44 0.00 0.00 39.64 39.77 3hja n ILE 288 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3hja n LYS 289 N 0.62 2.32 -0.99 6.28 5.02 -1.00 -1.43 118.16 128.99 3hja n LYS 289 Ca 0.11 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3hja n LYS 289 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 3hja n LYS 289 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hja n GLY 290 N 3.19 0.50 3.73 0.72 0.00 -1.26 -5.02 105.19 107.06 3hja n GLY 290 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.15 7.37 0.00 1.61 3.84 -0.52 -4.97 114.94 120.13 3hja s ASN 291 Ca 0.00 1.64 0.27 0.00 0.21 0.00 0.00 52.86 54.98 3hja s ASN 291 Cb 0.00 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 39.11 3hja s ASN 291 CO 0.00 -0.04 1.68 -1.54 -2.79 0.00 0.00 177.10 174.41 3hja n SER 292 N 2.86 1.02 -4.77 -4.21 3.41 -1.26 -3.11 113.62 107.55 3hja n SER 292 Ca 0.00 -0.99 -0.34 0.00 -0.26 0.00 0.00 58.87 57.28 3hja n SER 292 Cb 0.50 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.36 2.64 0.16 7.33 3.76 -1.26 -4.58 115.29 120.99 3hja s HIS 293 Ca 0.29 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.85 3hja s HIS 293 Cb 0.20 -3.26 0.15 0.00 1.11 0.00 0.00 32.58 30.77 3hja s HIS 293 CO 0.46 -1.63 1.48 0.77 -0.85 0.00 0.00 174.74 174.97 3hja h SER 294 N 0.84 0.00 -1.74 1.40 0.02 -1.19 -3.40 113.55 109.49 3hja h SER 294 Ca -0.49 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.55 3hja h SER 294 Cb 1.26 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.59 3hja h SER 294 CO 0.56 0.73 -0.12 -0.55 -1.14 0.00 0.00 176.83 176.31 3hja s SER 295 N -6.71 -1.13 -0.29 3.07 0.15 -0.91 -3.58 113.70 104.29 3hja s SER 295 Ca 0.00 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.07 3hja s SER 295 Cb 0.11 2.22 0.08 0.00 -1.71 0.00 0.00 66.02 66.72 3hja s SER 295 CO 0.77 -0.22 -0.02 -0.63 1.20 0.00 0.00 173.24 174.34 3hja s ILE 296 N 2.86 2.10 0.08 6.45 1.01 0.55 0.91 121.20 135.16 3hja s ILE 296 Ca -0.01 -1.90 -0.31 0.00 0.00 0.00 0.00 60.65 58.43 3hja s ILE 296 Cb -0.12 -2.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 3hja s ILE 296 CO -0.19 -0.32 1.60 -0.69 0.00 0.00 0.00 174.94 175.34 3hja s VAL 297 N 1.06 3.03 -0.89 2.92 1.01 -0.16 0.17 120.40 127.54 3hja s VAL 297 Ca 0.01 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 3hja s VAL 297 Cb -0.19 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 32.92 3hja s VAL 297 CO -0.07 0.01 1.18 -0.62 0.00 0.00 0.00 175.10 175.59 3hja s ASP 298 N 2.02 6.50 0.44 3.32 -1.08 0.03 -1.26 116.67 126.64 3hja s ASP 298 Ca 0.72 -1.66 0.10 0.00 -0.52 0.00 0.00 52.55 51.19 3hja s ASP 298 Cb -0.40 -2.45 0.97 0.00 -1.46 0.00 0.00 42.92 39.59 3hja s ASP 298 CO 0.31 -1.26 2.07 1.23 0.52 0.00 0.00 175.17 178.04 3hja h GLY 299 N 11.22 0.35 2.00 2.66 0.00 -0.88 -1.73 103.07 116.70 3hja h GLY 299 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3hja h GLY 299 CO 1.20 0.14 -0.04 1.41 0.00 0.00 0.00 176.54 179.25 3hja h LEU 300 N 0.34 0.00 -0.14 3.11 3.38 -1.85 -2.95 115.31 117.20 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hja h LEU 300 CO -0.01 0.04 -0.45 -0.62 0.09 0.00 0.00 178.44 177.49 3hja n GLU 301 N -3.82 0.23 -1.80 1.13 -0.58 -0.65 -4.92 120.64 110.23 3hja n GLU 301 Ca -0.03 -0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.16 3hja n GLU 301 Cb 0.14 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.86 2.17 -0.04 2.62 2.01 -1.12 -4.75 115.64 113.68 3hja s THR 302 Ca 0.15 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3hja s THR 302 Cb 0.18 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.63 3hja s THR 302 CO 0.66 0.02 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.27 3hja s MET 303 N 0.19 0.49 -0.06 4.92 0.00 -0.68 -4.99 119.30 119.18 3hja s MET 303 Ca 0.67 0.03 0.01 0.00 0.00 0.00 0.00 55.69 56.40 3hja s MET 303 Cb -0.47 -0.64 0.02 0.00 0.00 0.00 0.00 34.83 33.73 3hja s MET 303 CO 0.41 -0.14 -0.08 0.08 0.00 0.00 0.00 175.02 175.29 3hja s VAL 304 N 1.10 0.88 0.00 10.11 1.01 -1.26 -0.41 120.40 131.82 3hja s VAL 304 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3hja s VAL 304 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3hja s VAL 304 CO -0.01 0.31 0.00 0.18 0.00 0.00 0.00 175.10 175.57 3hja n LEU 305 N 4.10 0.00 -4.82 3.92 4.77 -0.04 -4.89 117.00 120.04 3hja n LEU 305 Ca -0.22 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.45 3hja n LEU 305 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3hja n LEU 305 CO 0.23 -0.31 0.71 -1.61 -1.33 0.00 0.00 177.39 175.08 3hja s GLU 306 N -0.20 3.14 -1.21 3.23 2.02 -1.26 -4.21 118.70 120.20 3hja s GLU 306 Ca 0.00 1.02 -0.07 0.00 0.02 0.00 0.00 54.97 55.94 3hja s GLU 306 Cb 0.00 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.22 3hja s GLU 306 CO 0.00 -0.94 0.92 0.09 0.02 0.00 0.00 175.26 175.35 3hja n ASN 307 N -2.69 -5.76 -0.73 -0.19 3.02 -0.99 -3.01 115.26 104.91 3hja n ASN 307 Ca 0.08 -0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.11 3hja n ASN 307 Cb 0.53 -4.42 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 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 -1.73 1.09 3.58 7.41 0.00 -1.20 -4.70 105.19 109.64 3hja n GLY 308 Ca -0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.26 3.14 0.03 1.61 5.36 -1.16 -0.44 117.98 124.26 3hja s PHE 309 Ca 0.00 0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 56.36 3hja s PHE 309 Cb 0.00 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.45 3hja s PHE 309 CO 0.00 -0.65 0.07 0.00 -1.46 0.00 0.00 175.22 173.17 3hja s ALA 310 N 2.83 -0.01 -0.07 11.12 0.00 -0.47 -0.86 121.76 134.31 3hja s ALA 310 Ca 0.27 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3hja s ALA 310 Cb -0.14 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3hja s ALA 310 CO 0.15 -0.28 -0.12 0.21 0.00 0.00 0.00 175.76 175.72 3hja s LYS 311 N -2.40 1.66 -0.05 0.00 2.20 0.45 -0.48 119.74 121.13 3hja s LYS 311 Ca -0.07 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 3hja s LYS 311 Cb -0.03 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 3hja s LYS 311 CO -0.04 0.01 -0.16 0.42 -0.36 0.00 0.00 175.35 175.22 3hja s ILE 312 N 0.71 1.37 -0.11 5.43 1.09 0.23 -1.68 121.20 128.24 3hja s ILE 312 Ca -0.14 -0.67 -0.01 0.00 -1.10 0.00 0.00 60.65 58.74 3hja s ILE 312 Cb -0.16 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.03 3hja s ILE 312 CO 0.03 0.40 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.42 3hja s LEU 313 N 0.18 3.00 -0.04 2.97 1.02 -1.26 -0.57 118.68 123.99 3hja s LEU 313 Ca -0.07 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 3hja s LEU 313 Cb -0.12 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.44 3hja s LEU 313 CO 0.03 0.24 0.04 -0.55 0.02 0.00 0.00 176.35 176.12 3hja s SER 314 N -0.08 0.79 0.51 2.29 0.15 -0.03 -0.79 113.70 116.54 3hja s SER 314 Ca -0.00 0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.53 3hja s SER 314 Cb -0.13 -0.17 -0.08 0.00 -1.71 0.00 0.00 66.02 63.93 3hja s SER 314 CO 0.03 -0.19 0.97 0.26 1.20 0.00 0.00 173.24 175.51 3hja s TRP 315 N 1.68 3.46 -0.25 3.44 0.52 0.13 -0.49 118.94 127.43 3hja s TRP 315 Ca -0.01 1.42 -0.26 0.00 0.02 0.00 0.00 56.10 57.27 3hja s TRP 315 Cb -0.13 -2.75 0.07 0.00 -1.15 0.00 0.00 33.47 29.51 3hja s TRP 315 CO -0.03 -0.36 0.71 1.52 0.02 0.00 0.00 176.95 178.81 3hja s TYR 316 N -2.63 -0.77 -0.63 -1.98 -0.00 -0.43 -0.33 117.35 110.58 3hja s TYR 316 Ca 0.58 1.84 -0.25 0.00 -0.00 0.00 0.00 57.07 59.24 3hja s TYR 316 Cb -0.10 0.28 0.04 0.00 -0.00 0.00 0.00 41.96 42.19 3hja s TYR 316 CO 0.32 -0.40 1.09 0.34 -0.00 0.00 0.00 175.55 176.90 3hja s ASP 317 N 0.22 6.28 0.55 -0.18 -1.08 -1.26 -0.63 116.67 120.57 3hja s ASP 317 Ca -0.01 -0.40 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 3hja s ASP 317 Cb -0.04 -2.49 1.45 0.00 -1.46 0.00 0.00 42.92 40.37 3hja s ASP 317 CO 0.02 -1.49 2.07 -0.55 0.52 0.00 0.00 175.17 175.74 3hja h ASN 318 N 9.60 0.00 0.00 -0.34 -1.07 -1.91 -1.37 115.58 120.48 3hja h ASN 318 Ca -0.27 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.03 3hja h ASN 318 Cb 1.06 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.30 3hja h ASN 318 CO 1.18 0.00 -0.43 -0.33 0.07 0.00 0.00 177.43 177.92 3hja h GLU 319 N 0.00 0.00 0.20 4.14 5.08 -1.97 -3.38 114.58 118.66 3hja h GLU 319 Ca 0.13 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.22 3hja h GLU 319 Cb 0.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.86 3hja h GLU 319 CO -0.00 0.69 -1.22 0.35 -1.00 0.00 0.00 179.01 177.83 3hja h PHE 320 N -1.00 0.78 -0.13 4.33 3.57 -1.76 -1.18 116.94 121.55 3hja h PHE 320 Ca -0.10 -0.57 -0.00 0.00 3.53 0.00 0.00 57.97 60.83 3hja h PHE 320 Cb 0.84 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3hja h PHE 320 CO 0.11 1.47 0.07 0.78 -2.23 0.00 0.00 178.31 178.51 3hja h GLY 321 N -0.05 0.19 1.00 2.40 0.00 -1.20 -1.66 103.07 103.75 3hja h GLY 321 Ca -0.22 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3hja h GLY 321 CO 0.21 0.08 0.29 -1.82 0.00 0.00 0.00 176.54 175.30 3hja h TYR 322 N 0.13 0.58 -0.53 5.60 3.20 -1.67 -1.83 116.97 122.44 3hja h TYR 322 Ca 0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3hja h TYR 322 Cb 0.05 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3hja h TYR 322 CO -0.05 0.38 0.15 0.77 -1.64 0.00 0.00 178.16 177.76 3hja h SER 323 N 0.61 0.74 -0.50 -2.11 0.02 -1.14 -0.81 113.55 110.36 3hja h SER 323 Ca 0.17 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3hja h SER 323 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3hja h SER 323 CO -0.03 0.72 0.28 0.74 -1.14 0.00 0.00 176.83 177.39 3hja h THR 324 N 0.78 1.17 -0.97 -2.27 2.02 -0.92 -2.46 112.91 110.26 3hja h THR 324 Ca 0.17 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.98 3hja h THR 324 Cb 0.26 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 3hja h THR 324 CO -0.01 0.18 0.63 0.03 0.37 0.00 0.00 175.52 176.73 3hja h ARG 325 N 0.67 1.13 -0.31 6.66 2.47 -0.50 0.89 114.38 125.39 3hja h ARG 325 Ca 0.18 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3hja h ARG 325 Cb 0.04 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 3hja h ARG 325 CO -0.03 0.75 0.19 0.28 0.56 0.00 0.00 179.97 181.72 3hja h VAL 326 N 1.17 1.10 -0.26 2.04 2.07 -0.84 0.19 116.25 121.72 3hja h VAL 326 Ca 0.41 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3hja h VAL 326 Cb 0.11 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3hja h VAL 326 CO -0.15 0.10 0.08 0.58 0.02 0.00 0.00 177.57 178.20 3hja h VAL 327 N 0.41 1.20 -0.73 2.57 2.07 -1.04 -0.08 116.25 120.65 3hja h VAL 327 Ca 0.11 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 67.12 3hja h VAL 327 Cb -0.00 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 3hja h VAL 327 CO -0.02 0.21 0.28 0.44 0.02 0.00 0.00 177.57 178.50 3hja h ASP 328 N 0.25 0.25 -0.31 0.57 3.32 -0.55 -1.86 116.42 118.10 3hja h ASP 328 Ca 0.08 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hja h ASP 328 Cb 0.25 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hja h ASP 328 CO -0.00 0.10 0.01 0.25 -1.72 0.00 0.00 179.24 177.88 3hja h LEU 329 N 0.43 0.53 -0.51 1.55 5.85 -0.34 -2.56 115.31 120.27 3hja h LEU 329 Ca 0.40 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3hja h LEU 329 Cb 0.60 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 3hja h LEU 329 CO -0.40 0.70 0.12 0.00 -0.34 0.00 0.00 178.44 178.53 3hja h ALA 330 N 0.85 0.59 -0.33 1.25 0.00 -0.41 -0.63 119.26 120.57 3hja h ALA 330 Ca 0.09 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hja h ALA 330 Cb 0.42 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hja h ALA 330 CO 0.01 -0.28 -0.05 1.96 0.00 0.00 0.00 179.25 180.89 3hja h GLN 331 N 0.27 0.53 -0.09 0.00 4.20 -1.28 -2.69 115.11 116.06 3hja h GLN 331 Ca 0.25 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.68 3hja h GLN 331 Cb 0.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3hja h GLN 331 CO -0.31 0.60 -0.59 0.87 -0.67 0.00 0.00 178.83 178.74 3hja h LYS 332 N 0.50 0.28 0.00 1.46 1.57 -0.94 -3.11 116.57 116.33 3hja h LYS 332 Ca 0.10 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3hja h LYS 332 Cb 0.41 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hja h LYS 332 CO 0.02 0.78 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.51 3hja h LEU 333 N 0.21 0.00 -1.85 2.94 3.38 -0.79 -3.49 115.31 115.70 3hja h LEU 333 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hja h LEU 333 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hja h LEU 333 CO 0.09 0.11 0.00 1.33 0.09 0.00 0.00 178.44 180.06