#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xf0 s PHE 5 N 0.00 0.58 -0.19 0.54 2.99 -1.26 -1.43 117.98 119.21 2xf0 s PHE 5 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 56.93 56.28 2xf0 s PHE 5 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 43.02 42.67 2xf0 s PHE 5 CO 0.00 -0.16 -0.15 0.08 -0.00 0.00 0.00 175.22 174.99 2xf0 s VAL 6 N -2.06 2.47 0.00 -0.44 1.01 0.52 -4.95 120.40 116.95 2xf0 s VAL 6 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2xf0 s VAL 6 Cb -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2xf0 s VAL 6 CO -0.02 0.50 0.00 -0.62 0.00 0.00 0.00 175.10 174.96 2xf0 n GLU 7 N 4.65 0.00 -0.22 2.72 1.02 -1.26 -0.87 120.64 126.69 2xf0 n GLU 7 Ca -0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 2xf0 n GLU 7 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.98 2xf0 n GLU 7 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2xf0 h ASP 8 N 2.25 1.03 -3.91 1.62 3.32 -1.97 -3.45 116.42 115.31 2xf0 h ASP 8 Ca 0.00 -0.25 -0.53 0.00 0.02 0.00 0.00 57.03 56.27 2xf0 h ASP 8 Cb 0.00 -0.27 0.08 0.00 0.22 0.00 0.00 39.33 39.35 2xf0 h ASP 8 CO 0.00 1.03 0.67 0.26 -1.72 0.00 0.00 179.24 179.48 2xf0 s TRP 9 N -5.15 2.90 -0.12 4.55 0.52 -0.05 -3.53 118.94 118.07 2xf0 s TRP 9 Ca -0.12 1.35 -0.00 0.00 0.02 0.00 0.00 56.10 57.35 2xf0 s TRP 9 Cb 0.14 -3.77 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 2xf0 s TRP 9 CO 0.85 -2.17 -0.11 -0.51 0.02 0.00 0.00 176.95 175.03 2xf0 s ASP 10 N -0.43 4.23 -0.47 2.95 1.11 -0.48 -0.35 116.67 123.23 2xf0 s ASP 10 Ca 0.51 -0.25 -0.26 0.00 0.18 0.00 0.00 52.55 52.73 2xf0 s ASP 10 Cb -0.41 -1.53 0.03 0.00 1.07 0.00 0.00 42.92 42.07 2xf0 s ASP 10 CO 0.55 0.20 0.96 -0.76 1.18 0.00 0.00 175.17 177.30 2xf0 s LEU 11 N 0.15 3.96 -0.14 1.23 1.43 -0.51 -1.53 118.68 123.27 2xf0 s LEU 11 Ca -0.05 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 52.93 2xf0 s LEU 11 Cb -0.15 -3.20 -0.20 0.00 0.03 0.00 0.00 46.19 42.67 2xf0 s LEU 11 CO 0.04 -1.10 0.56 0.58 0.23 0.00 0.00 176.35 176.66 2xf0 h VAL 12 N 6.10 1.35 -3.51 -1.59 2.07 -0.35 -3.40 116.25 116.92 2xf0 h VAL 12 Ca -0.24 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 2xf0 h VAL 12 Cb 1.07 2.60 -0.14 0.00 -1.52 0.00 0.00 31.29 33.30 2xf0 h VAL 12 CO 1.05 0.46 -0.20 0.00 0.02 0.00 0.00 177.57 178.90 2xf0 s GLN 13 N -2.11 0.95 0.11 1.57 -2.07 -1.24 -4.97 119.66 111.90 2xf0 s GLN 13 Ca -0.16 -0.75 -0.30 0.00 -1.82 0.00 0.00 55.36 52.33 2xf0 s GLN 13 Cb -0.02 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.25 2xf0 s GLN 13 CO 0.54 -0.34 1.05 0.99 -1.32 0.00 0.00 175.29 176.22 2xf0 s THR 14 N -3.59 4.24 -0.17 3.63 2.01 -1.26 0.10 115.64 120.59 2xf0 s THR 14 Ca 0.02 1.80 -0.04 0.00 0.31 0.00 0.00 61.69 63.78 2xf0 s THR 14 Cb 0.02 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 2xf0 s THR 14 CO -0.10 0.25 -0.19 0.18 -0.69 0.00 0.00 174.62 174.07 2xf0 n LEU 15 N 2.97 2.06 0.00 4.42 4.77 0.15 -4.87 117.00 126.50 2xf0 n LEU 15 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2xf0 n LEU 15 Cb 0.48 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2xf0 n LEU 15 CO 0.53 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2xf0 n GLY 16 N 2.29 -0.02 3.49 -0.72 0.00 -1.26 -4.99 105.19 103.97 2xf0 n GLY 16 Ca -0.32 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2xf0 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xf0 s GLU 22 N -1.32 1.70 -0.17 1.61 -1.05 -0.90 -4.99 118.70 113.57 2xf0 s GLU 22 Ca 0.00 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 52.91 2xf0 s GLU 22 Cb 0.00 -1.20 0.01 0.00 -0.44 0.00 0.00 34.13 32.50 2xf0 s GLU 22 CO 0.00 -0.06 -0.16 0.08 0.95 0.00 0.00 175.26 176.07 2xf0 s VAL 23 N -3.02 2.48 0.31 1.83 1.01 -1.25 -0.76 120.40 121.00 2xf0 s VAL 23 Ca 0.33 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2xf0 s VAL 23 Cb 0.07 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2xf0 s VAL 23 CO 0.15 0.52 0.13 -1.10 0.00 0.00 0.00 175.10 174.79 2xf0 s GLN 24 N 1.06 2.46 -0.18 2.72 -0.21 -0.28 0.32 119.66 125.54 2xf0 s GLN 24 Ca -0.01 -1.43 -0.18 0.00 0.02 0.00 0.00 55.36 53.76 2xf0 s GLN 24 Cb -0.14 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 2xf0 s GLN 24 CO -0.05 0.21 0.50 -1.17 -2.12 0.00 0.00 175.29 172.66 2xf0 s LEU 25 N -3.82 4.18 -0.10 2.90 2.96 0.12 -0.79 118.68 124.13 2xf0 s LEU 25 Ca 0.36 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2xf0 s LEU 25 Cb -0.04 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 2xf0 s LEU 25 CO 0.23 -0.12 -0.11 0.00 -1.32 0.00 0.00 176.35 175.03 2xf0 s ALA 26 N 1.33 2.77 -0.08 5.97 0.00 0.10 0.40 121.76 132.26 2xf0 s ALA 26 Ca 0.24 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2xf0 s ALA 26 Cb -0.15 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 2xf0 s ALA 26 CO 0.10 0.38 -0.22 0.08 0.00 0.00 0.00 175.76 176.10 2xf0 s VAL 27 N -0.14 1.83 0.02 0.00 1.01 -0.58 0.73 120.40 123.27 2xf0 s VAL 27 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2xf0 s VAL 27 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2xf0 s VAL 27 CO 0.03 0.51 1.06 0.21 0.00 0.00 0.00 175.10 176.91 2xf0 s ASN 28 N 0.22 7.26 0.40 3.32 3.84 0.43 -1.38 114.94 129.03 2xf0 s ASN 28 Ca -0.12 1.79 0.09 0.00 0.21 0.00 0.00 52.86 54.82 2xf0 s ASN 28 Cb -0.16 -2.57 0.82 0.00 -0.55 0.00 0.00 41.25 38.79 2xf0 s ASN 28 CO 0.06 -0.34 1.96 0.03 -2.79 0.00 0.00 177.10 176.02 2xf0 h ARG 29 N 6.81 0.32 0.00 0.43 3.08 -1.91 0.17 114.38 123.28 2xf0 h ARG 29 Ca -0.41 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 2xf0 h ARG 29 Cb 1.22 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2xf0 h ARG 29 CO 0.77 0.36 -0.51 0.28 -1.07 0.00 0.00 179.97 179.80 2xf0 h VAL 30 N 0.32 0.07 0.00 2.04 2.07 -1.91 -3.39 116.25 115.44 2xf0 h VAL 30 Ca 0.07 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2xf0 h VAL 30 Cb 0.24 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2xf0 h VAL 30 CO 0.01 0.02 -0.36 0.71 0.02 0.00 0.00 177.57 177.97 2xf0 h THR 31 N -1.00 0.00 0.00 2.57 1.35 -1.98 -3.47 112.91 110.38 2xf0 h THR 31 Ca -0.02 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2xf0 h THR 31 Cb 0.52 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2xf0 h THR 31 CO -0.01 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.47 2xf0 n GLU 32 N -2.37 -0.52 -2.14 4.72 4.07 0.59 -4.95 120.64 120.04 2xf0 n GLU 32 Ca 0.04 0.13 -0.41 0.00 -0.06 0.00 0.00 57.16 56.86 2xf0 n GLU 32 Cb 0.46 -3.77 -0.02 0.00 -0.06 0.00 0.00 31.44 28.05 2xf0 n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2xf0 s GLU 33 N -0.77 4.34 -0.16 5.31 2.02 -1.26 -4.50 118.70 123.69 2xf0 s GLU 33 Ca 0.00 2.18 -0.08 0.00 0.02 0.00 0.00 54.97 57.09 2xf0 s GLU 33 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2xf0 s GLU 33 CO 0.00 -0.19 0.10 0.00 0.02 0.00 0.00 175.26 175.19 2xf0 s ALA 34 N -1.16 3.61 0.37 5.21 0.00 -1.26 -0.42 121.76 128.11 2xf0 s ALA 34 Ca 0.49 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2xf0 s ALA 34 Cb -0.39 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2xf0 s ALA 34 CO 0.52 0.32 0.11 0.14 0.00 0.00 0.00 175.76 176.85 2xf0 s VAL 35 N -0.11 0.76 -0.13 0.00 -7.23 0.22 -4.44 120.40 109.47 2xf0 s VAL 35 Ca 0.09 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 2xf0 s VAL 35 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2xf0 s VAL 35 CO 0.01 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.93 2xf0 s ALA 36 N -3.30 3.84 -0.09 1.32 0.00 0.13 -0.73 121.76 122.93 2xf0 s ALA 36 Ca 0.29 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2xf0 s ALA 36 Cb 0.05 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2xf0 s ALA 36 CO 0.15 0.56 -0.23 0.08 0.00 0.00 0.00 175.76 176.32 2xf0 s VAL 37 N -0.86 1.95 -0.21 0.00 1.01 0.03 -1.18 120.40 121.15 2xf0 s VAL 37 Ca 0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2xf0 s VAL 37 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2xf0 s VAL 37 CO 0.03 0.54 0.03 -0.75 0.00 0.00 0.00 175.10 174.95 2xf0 s LYS 38 N 0.37 3.70 -0.30 2.72 2.47 0.30 -1.13 119.74 127.86 2xf0 s LYS 38 Ca -0.18 -0.47 -0.03 0.00 -1.56 0.00 0.00 55.97 53.72 2xf0 s LYS 38 Cb -0.18 -3.16 0.04 0.00 -1.46 0.00 0.00 37.83 33.07 2xf0 s LYS 38 CO 0.08 0.02 0.03 0.42 0.16 0.00 0.00 175.35 176.06 2xf0 s ILE 39 N 1.00 3.27 -0.08 5.43 1.01 0.06 -1.29 121.20 130.61 2xf0 s ILE 39 Ca 0.03 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.50 2xf0 s ILE 39 Cb -0.14 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2xf0 s ILE 39 CO 0.02 -0.08 -0.23 -0.69 0.00 0.00 0.00 174.94 173.97 2xf0 s VAL 40 N 1.32 1.93 -0.26 2.92 1.01 -0.63 -2.11 120.40 124.58 2xf0 s VAL 40 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.08 2xf0 s VAL 40 Cb -0.19 -1.66 0.45 0.00 0.00 0.00 0.00 36.38 34.98 2xf0 s VAL 40 CO -0.00 0.53 1.20 -0.90 0.00 0.00 0.00 175.10 175.93 2xf0 n ASP 41 N 3.33 3.68 0.00 3.32 5.68 -1.26 0.12 116.55 131.41 2xf0 n ASP 41 Ca -0.19 -3.72 0.00 0.00 -0.50 0.00 0.00 54.79 50.39 2xf0 n ASP 41 Cb 0.53 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2xf0 n ASP 41 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2xf0 n ASN 51 N -0.82 0.00 -0.11 -1.12 3.02 -1.26 -5.00 115.26 109.97 2xf0 n ASN 51 Ca 0.34 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.87 2xf0 n ASN 51 Cb 0.87 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 40.27 2xf0 n ASN 51 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2xf0 h ILE 52 N 0.00 1.21 -0.76 2.41 2.10 -2.00 -2.69 117.51 117.78 2xf0 h ILE 52 Ca 0.00 -0.73 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 2xf0 h ILE 52 Cb 0.00 0.66 -0.04 0.00 -1.09 0.00 0.00 36.82 36.36 2xf0 h ILE 52 CO 0.00 0.28 0.46 0.11 -1.08 0.00 0.00 178.15 177.92 2xf0 h LYS 53 N 0.75 1.03 -0.74 2.19 1.57 -2.01 -1.68 116.57 117.69 2xf0 h LYS 53 Ca 0.17 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2xf0 h LYS 53 Cb 0.24 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2xf0 h LYS 53 CO -0.01 0.73 0.22 -0.22 -0.57 0.00 0.00 179.45 179.60 2xf0 h LYS 54 N 1.04 1.15 -0.67 3.15 3.64 -1.91 -1.68 116.57 121.29 2xf0 h LYS 54 Ca 0.27 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2xf0 h LYS 54 Cb -0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2xf0 h LYS 54 CO -0.05 0.99 0.33 1.49 -2.27 0.00 0.00 179.45 179.94 2xf0 h GLU 55 N 1.10 0.96 -0.61 1.90 4.81 -1.14 0.11 114.58 121.71 2xf0 h GLU 55 Ca 0.24 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2xf0 h GLU 55 Cb 0.32 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2xf0 h GLU 55 CO -0.01 0.75 0.20 0.82 -0.73 0.00 0.00 179.01 180.05 2xf0 h ILE 56 N 0.93 1.24 -0.47 2.32 2.04 -1.14 -1.18 117.51 121.25 2xf0 h ILE 56 Ca 0.23 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2xf0 h ILE 56 Cb 0.10 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2xf0 h ILE 56 CO -0.03 0.31 0.15 0.00 0.00 0.00 0.00 178.15 178.58 2xf0 h ILE 58 N 0.62 1.26 -0.72 0.00 2.04 -0.66 -3.07 117.51 116.98 2xf0 h ILE 58 Ca 0.15 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2xf0 h ILE 58 Cb 0.26 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2xf0 h ILE 58 CO -0.01 0.38 0.36 0.78 0.00 0.00 0.00 178.15 179.67 2xf0 h ASN 59 N 0.96 0.91 -0.74 1.72 2.35 -1.09 -2.39 115.58 117.30 2xf0 h ASN 59 Ca 0.19 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2xf0 h ASN 59 Cb 0.45 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 2xf0 h ASN 59 CO 0.02 0.76 0.40 0.11 -1.65 0.00 0.00 177.43 177.06 2xf0 h LYS 60 N 1.01 1.06 0.00 0.81 1.57 -1.40 -2.27 116.57 117.35 2xf0 h LYS 60 Ca 0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2xf0 h LYS 60 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2xf0 h LYS 60 CO -0.04 0.79 0.00 -1.33 -0.57 0.00 0.00 179.45 178.31 2xf0 n MET 61 N -4.34 0.15 -3.34 3.15 2.81 -0.90 -4.81 117.12 109.84 2xf0 n MET 61 Ca 0.08 0.41 -0.38 0.00 -1.81 0.00 0.00 57.70 55.99 2xf0 n MET 61 Cb 0.11 -1.81 -0.07 0.00 -0.71 0.00 0.00 33.22 30.74 2xf0 n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2xf0 s LEU 62 N -4.20 4.17 -0.42 4.03 1.43 -0.85 -5.02 118.68 117.81 2xf0 s LEU 62 Ca 0.04 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 2xf0 s LEU 62 Cb 0.09 -2.60 0.18 0.00 0.03 0.00 0.00 46.19 43.90 2xf0 s LEU 62 CO 0.35 -0.09 0.42 -3.20 0.23 0.00 0.00 176.35 174.06 2xf0 n ASN 63 N 4.41 -0.84 -4.07 2.29 5.15 -1.26 -4.75 115.26 116.19 2xf0 n ASN 63 Ca -0.07 -2.50 -0.09 0.00 -0.60 0.00 0.00 54.58 51.32 2xf0 n ASN 63 Cb 0.51 -0.22 -0.11 0.00 -0.53 0.00 0.00 39.78 39.43 2xf0 n ASN 63 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2xf0 s HIS 64 N 0.02 0.53 -0.97 1.20 2.46 -1.26 -5.05 115.29 112.23 2xf0 s HIS 64 Ca 0.33 -0.79 0.27 0.00 0.47 0.00 0.00 55.06 55.34 2xf0 s HIS 64 Cb 0.06 -0.36 1.15 0.00 -0.13 0.00 0.00 32.58 33.30 2xf0 s HIS 64 CO -0.17 -0.24 1.88 -0.85 -2.47 0.00 0.00 174.74 172.89 2xf0 n GLU 65 N 0.73 0.02 -0.98 2.88 0.00 -1.26 -3.06 120.64 118.98 2xf0 n GLU 65 Ca -0.18 0.04 -0.09 0.00 0.00 0.00 0.00 57.16 56.93 2xf0 n GLU 65 Cb 0.58 -1.53 0.17 0.00 0.00 0.00 0.00 31.44 30.67 2xf0 n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2xf0 n ASN 66 N -1.57 3.03 -3.80 -1.84 4.13 -1.26 -4.78 115.26 109.18 2xf0 n ASN 66 Ca 0.07 -3.79 -0.14 0.00 1.68 0.00 0.00 54.58 52.40 2xf0 n ASN 66 Cb 0.33 -0.64 -0.15 0.00 -1.54 0.00 0.00 39.78 37.78 2xf0 n ASN 66 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2xf0 s VAL 67 N -3.48 -0.03 0.27 2.41 1.01 -1.17 -0.70 120.40 118.71 2xf0 s VAL 67 Ca 0.47 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 2xf0 s VAL 67 Cb 0.42 -0.10 -0.12 0.00 0.00 0.00 0.00 36.38 36.58 2xf0 s VAL 67 CO 0.00 0.05 1.63 0.52 0.00 0.00 0.00 175.10 177.31 2xf0 n VAL 68 N 3.73 0.77 -2.29 2.92 0.31 -0.21 -4.66 118.33 118.91 2xf0 n VAL 68 Ca -0.21 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.52 2xf0 n VAL 68 Cb 0.54 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 2xf0 n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2xf0 s LYS 69 N -0.10 4.47 -0.21 5.55 -0.14 -1.26 -4.82 119.74 123.23 2xf0 s LYS 69 Ca 0.67 2.01 -0.05 0.00 -1.36 0.00 0.00 55.97 57.23 2xf0 s LYS 69 Cb -0.50 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 2xf0 s LYS 69 CO 0.44 -0.01 0.01 0.12 -0.76 0.00 0.00 175.35 175.16 2xf0 s PHE 70 N -1.17 3.06 -0.17 3.18 5.36 -1.26 -0.43 117.98 126.54 2xf0 s PHE 70 Ca 0.47 -0.43 0.09 0.00 -0.96 0.00 0.00 56.93 56.11 2xf0 s PHE 70 Cb -0.36 -2.11 -0.23 0.00 -0.34 0.00 0.00 43.02 39.99 2xf0 s PHE 70 CO 0.47 -0.24 0.16 0.66 -1.46 0.00 0.00 175.22 174.80 2xf0 n TYR 71 N 4.32 0.38 0.00 10.12 4.01 0.94 -4.97 117.16 131.96 2xf0 n TYR 71 Ca -0.17 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2xf0 n TYR 71 Cb 0.52 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 2xf0 n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xf0 n GLY 72 N 1.87 0.24 3.14 2.72 0.00 -1.22 -5.00 105.19 106.94 2xf0 n GLY 72 Ca -0.33 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 2xf0 n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2xf0 s HIS 73 N -1.77 0.89 -0.09 1.61 -3.43 -1.26 -0.78 115.29 110.46 2xf0 s HIS 73 Ca 0.00 -0.68 -0.04 0.00 -0.80 0.00 0.00 55.06 53.53 2xf0 s HIS 73 Cb 0.00 -0.51 0.05 0.00 -1.43 0.00 0.00 32.58 30.69 2xf0 s HIS 73 CO 0.00 -0.07 0.20 0.50 -2.00 0.00 0.00 174.74 173.37 2xf0 s ARG 74 N -2.72 0.14 0.28 -0.38 6.06 -0.76 -4.99 118.95 116.59 2xf0 s ARG 74 Ca 0.02 0.50 -0.11 0.00 -2.50 0.00 0.00 55.73 53.64 2xf0 s ARG 74 Cb -0.03 -0.15 -0.08 0.00 0.06 0.00 0.00 34.95 34.76 2xf0 s ARG 74 CO -0.01 -0.19 0.64 0.50 -2.50 0.00 0.00 175.30 173.73 2xf0 s ARG 75 N 1.44 3.85 0.01 5.12 3.52 -1.26 -1.46 118.95 130.17 2xf0 s ARG 75 Ca -0.07 0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2xf0 s ARG 75 Cb -0.11 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2xf0 s ARG 75 CO -0.07 0.22 -0.01 0.39 -0.81 0.00 0.00 175.30 175.01 2xf0 n GLU 76 N -0.40 0.02 -1.49 5.12 -0.58 -1.26 -4.98 120.64 117.07 2xf0 n GLU 76 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2xf0 n GLU 76 Cb 0.53 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 2xf0 n GLU 76 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2xf0 n ILE 79 N -2.75 -0.75 -4.30 -3.67 5.41 -1.26 -5.14 119.36 106.90 2xf0 n ILE 79 Ca -0.01 0.35 -0.31 0.00 1.00 0.00 0.00 62.75 63.78 2xf0 n ILE 79 Cb 0.02 -0.45 -0.09 0.00 -0.71 0.00 0.00 39.64 38.40 2xf0 n ILE 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2xf0 s GLN 80 N -1.41 2.53 -0.24 0.38 2.00 0.31 -4.93 119.66 118.31 2xf0 s GLN 80 Ca 0.00 -0.78 0.02 0.00 -2.00 0.00 0.00 55.36 52.60 2xf0 s GLN 80 Cb 0.00 -2.52 0.06 0.00 0.80 0.00 0.00 33.01 31.35 2xf0 s GLN 80 CO 0.00 0.57 -0.09 0.71 -0.50 0.00 0.00 175.29 175.99 2xf0 s TYR 81 N -1.14 2.77 -0.20 1.67 1.51 -0.54 -1.61 117.35 119.82 2xf0 s TYR 81 Ca 0.21 -1.97 -0.14 0.00 -1.01 0.00 0.00 57.07 54.16 2xf0 s TYR 81 Cb -0.11 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2xf0 s TYR 81 CO 0.12 -0.82 0.29 -0.51 -1.11 0.00 0.00 175.55 173.53 2xf0 s LEU 82 N 1.27 4.17 -0.30 -1.29 1.02 -0.41 -1.82 118.68 121.32 2xf0 s LEU 82 Ca -0.06 0.38 -0.11 0.00 0.02 0.00 0.00 54.13 54.36 2xf0 s LEU 82 Cb -0.19 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.65 2xf0 s LEU 82 CO -0.06 0.02 0.18 -0.36 0.02 0.00 0.00 176.35 176.15 2xf0 s PHE 83 N 0.99 3.20 0.07 0.29 0.08 0.04 -0.54 117.98 122.12 2xf0 s PHE 83 Ca 0.15 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 57.09 2xf0 s PHE 83 Cb -0.14 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 2xf0 s PHE 83 CO 0.05 -0.29 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.26 2xf0 s LEU 84 N 1.71 2.32 0.23 -0.37 1.43 -0.32 -0.04 118.68 123.63 2xf0 s LEU 84 Ca 0.06 -0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2xf0 s LEU 84 Cb -0.16 -0.36 -0.14 0.00 0.03 0.00 0.00 46.19 45.55 2xf0 s LEU 84 CO 0.09 -0.17 1.28 1.21 0.23 0.00 0.00 176.35 178.99 2xf0 n GLU 85 N 1.07 1.68 -3.50 1.70 2.13 0.42 0.20 120.64 124.34 2xf0 n GLU 85 Ca -0.20 0.60 -0.37 0.00 0.66 0.00 0.00 57.16 57.85 2xf0 n GLU 85 Cb 0.55 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 30.02 2xf0 n GLU 85 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2xf0 s TYR 86 N -0.25 3.43 -0.31 4.31 5.04 -1.26 -4.41 117.35 123.89 2xf0 s TYR 86 Ca 0.68 0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 55.80 2xf0 s TYR 86 Cb -0.72 -2.39 -0.00 0.00 0.35 0.00 0.00 41.96 39.19 2xf0 s TYR 86 CO 0.52 0.15 0.15 0.00 -1.34 0.00 0.00 175.55 175.03 2xf0 h SER 88 N 8.35 1.08 -0.86 0.00 0.02 -1.79 -2.87 113.55 117.48 2xf0 h SER 88 Ca -0.32 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 2xf0 h SER 88 Cb 1.14 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.35 2xf0 h SER 88 CO 0.62 0.97 0.56 1.23 -1.14 0.00 0.00 176.83 179.07 2xf0 h GLY 89 N 1.15 1.23 0.00 -3.77 0.00 -0.28 -3.48 103.07 97.91 2xf0 h GLY 89 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2xf0 h GLY 89 CO -0.02 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.45 2xf0 n GLY 90 N -1.41 -1.72 3.78 4.60 0.00 -1.02 -4.79 105.19 104.62 2xf0 n GLY 90 Ca 0.12 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 2xf0 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xf0 s GLU 91 N 0.00 3.68 0.53 1.61 2.02 -1.26 0.21 118.70 125.49 2xf0 s GLU 91 Ca 0.00 1.66 0.28 0.00 0.02 0.00 0.00 54.97 56.93 2xf0 s GLU 91 Cb 0.00 -2.27 1.47 0.00 0.10 0.00 0.00 34.13 33.43 2xf0 s GLU 91 CO 0.00 -0.59 2.08 1.25 0.02 0.00 0.00 175.26 178.02 2xf0 h LEU 92 N 1.79 0.00 -0.92 1.80 5.85 -0.99 -2.81 115.31 120.03 2xf0 h LEU 92 Ca -0.49 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.23 2xf0 h LEU 92 Cb 1.25 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2xf0 h LEU 92 CO 0.59 0.11 0.61 0.15 -0.34 0.00 0.00 178.44 179.56 2xf0 h PHE 93 N 0.00 1.17 -0.49 1.25 3.57 -1.79 -1.95 116.94 118.70 2xf0 h PHE 93 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2xf0 h PHE 93 Cb 0.33 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2xf0 h PHE 93 CO 0.00 0.74 0.11 -0.44 -2.23 0.00 0.00 178.31 176.48 2xf0 h ASP 94 N 1.26 0.69 0.84 0.41 3.32 -1.83 -3.02 116.42 118.09 2xf0 h ASP 94 Ca 0.34 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2xf0 h ASP 94 Cb -0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 2xf0 h ASP 94 CO -0.07 0.69 -0.07 0.03 -1.72 0.00 0.00 179.24 178.10 2xf0 h ARG 95 N 0.72 0.00 -6.74 3.56 2.47 -1.45 -3.43 114.38 109.51 2xf0 h ARG 95 Ca 0.16 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.38 2xf0 h ARG 95 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2xf0 h ARG 95 CO -0.00 0.07 0.44 0.42 0.56 0.00 0.00 179.97 181.46 2xf0 s ILE 96 N -3.76 3.78 -0.17 2.04 1.01 -1.13 -4.69 121.20 118.28 2xf0 s ILE 96 Ca 0.00 1.69 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 2xf0 s ILE 96 Cb 0.10 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2xf0 s ILE 96 CO 0.56 0.37 0.04 -0.70 0.00 0.00 0.00 174.94 175.21 2xf0 s GLU 97 N -1.01 3.88 0.14 2.79 2.12 -0.97 -4.92 118.70 120.74 2xf0 s GLU 97 Ca 0.45 -0.38 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 2xf0 s GLU 97 Cb -0.29 -3.13 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 2xf0 s GLU 97 CO 0.37 0.28 1.68 -2.14 -0.54 0.00 0.00 175.26 174.91 2xf0 s PRO 98 N 0.32 4.17 0.00 4.30 0.02 -1.26 0.30 135.00 142.85 2xf0 s PRO 98 Ca 0.02 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2xf0 s PRO 98 Cb -0.13 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2xf0 s PRO 98 CO 0.01 -0.72 0.00 -3.47 -0.33 0.00 0.00 177.00 172.49 2xf0 n ASP 99 N 4.72 0.00 -0.01 2.53 2.03 0.16 -4.75 116.55 121.24 2xf0 n ASP 99 Ca 0.16 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.45 2xf0 n ASP 99 Cb 0.38 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 2xf0 n ASP 99 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2xf0 n ILE 100 N -2.00 0.11 -1.91 5.18 2.08 -0.58 -4.71 119.36 117.52 2xf0 n ILE 100 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2xf0 n ILE 100 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 2xf0 n ILE 100 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2xf0 n GLY 101 N 3.07 -0.08 3.22 7.39 0.00 0.15 -4.16 105.19 114.77 2xf0 n GLY 101 Ca -0.04 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2xf0 n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2xf0 s MET 102 N 0.00 0.98 0.25 1.61 0.23 0.11 -2.29 119.30 120.18 2xf0 s MET 102 Ca 0.00 -1.43 -0.31 0.00 -1.03 0.00 0.00 55.69 52.92 2xf0 s MET 102 Cb 0.00 -0.38 -0.13 0.00 -1.53 0.00 0.00 34.83 32.79 2xf0 s MET 102 CO 0.00 -0.01 1.49 -2.30 -2.03 0.00 0.00 175.02 172.17 2xf0 n PRO 103 N -0.15 2.27 -0.32 3.16 -0.02 -1.26 -4.69 135.00 134.00 2xf0 n PRO 103 Ca -0.10 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 2xf0 n PRO 103 Cb 0.61 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.93 2xf0 n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2xf0 h GLU 104 N 4.64 0.36 -0.94 -0.52 4.81 -1.97 0.22 114.58 121.18 2xf0 h GLU 104 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2xf0 h GLU 104 Cb 1.26 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2xf0 h GLU 104 CO 0.79 0.24 0.57 -1.35 -0.73 0.00 0.00 179.01 178.53 2xf0 h PRO 105 N 0.37 1.27 -0.41 0.92 0.11 -1.90 -1.48 132.00 130.88 2xf0 h PRO 105 Ca 0.61 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 2xf0 h PRO 105 Cb 1.24 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2xf0 h PRO 105 CO -0.56 0.88 0.22 -0.44 -0.21 0.00 0.00 178.00 177.89 2xf0 h ASP 106 N 1.29 0.51 -0.31 -2.05 3.45 -0.93 -2.47 116.42 115.91 2xf0 h ASP 106 Ca 0.34 -0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.61 2xf0 h ASP 106 Cb -0.06 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 2xf0 h ASP 106 CO -0.06 0.46 -0.12 0.00 -1.57 0.00 0.00 179.24 177.94 2xf0 h ALA 107 N 1.08 1.02 -0.15 3.45 0.00 -1.23 -1.95 119.26 121.47 2xf0 h ALA 107 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2xf0 h ALA 107 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xf0 h ALA 107 CO -0.02 0.59 0.01 0.37 0.00 0.00 0.00 179.25 180.20 2xf0 h GLN 108 N 0.67 0.25 -0.39 0.00 4.15 -1.20 0.84 115.11 119.43 2xf0 h GLN 108 Ca 0.11 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2xf0 h GLN 108 Cb 0.59 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2xf0 h GLN 108 CO 0.04 0.46 0.24 -0.09 -1.93 0.00 0.00 178.83 177.55 2xf0 h ARG 109 N 0.01 0.48 -0.57 1.69 2.43 -1.37 -0.04 114.38 117.00 2xf0 h ARG 109 Ca 0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2xf0 h ARG 109 Cb 0.33 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2xf0 h ARG 109 CO 0.01 0.32 0.38 0.74 -1.51 0.00 0.00 179.97 179.90 2xf0 h PHE 110 N 0.49 0.72 0.00 2.20 0.04 -1.28 -2.06 116.94 117.05 2xf0 h PHE 110 Ca 0.15 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.88 2xf0 h PHE 110 Cb -0.02 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 2xf0 h PHE 110 CO -0.06 0.45 -0.30 0.35 -0.60 0.00 0.00 178.31 178.15 2xf0 h PHE 111 N 0.78 0.00 -0.21 -0.55 3.57 -0.49 -1.78 116.94 118.26 2xf0 h PHE 111 Ca 0.21 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2xf0 h PHE 111 Cb -0.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2xf0 h PHE 111 CO -0.04 0.30 -0.07 0.45 -2.23 0.00 0.00 178.31 176.73 2xf0 h HIS 112 N 0.00 0.46 -0.11 0.41 3.86 -0.60 -2.06 115.15 117.12 2xf0 h HIS 112 Ca -0.00 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 2xf0 h HIS 112 Cb 0.53 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2xf0 h HIS 112 CO 0.00 0.67 -0.20 1.96 0.86 0.00 0.00 177.93 181.22 2xf0 h GLN 113 N 0.12 0.19 -0.33 2.45 4.20 -1.18 -1.33 115.11 119.22 2xf0 h GLN 113 Ca 0.05 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2xf0 h GLN 113 Cb 0.53 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2xf0 h GLN 113 CO 0.02 0.39 -0.31 1.25 -0.67 0.00 0.00 178.83 179.52 2xf0 h LEU 114 N 0.17 0.85 -0.76 1.46 5.85 -1.30 -1.69 115.31 119.89 2xf0 h LEU 114 Ca 0.03 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2xf0 h LEU 114 Cb 0.46 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2xf0 h LEU 114 CO 0.03 1.13 0.36 0.24 -0.34 0.00 0.00 178.44 179.86 2xf0 h MET 115 N 0.57 1.10 0.42 1.25 2.86 -1.02 -0.40 114.93 119.71 2xf0 h MET 115 Ca 0.06 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2xf0 h MET 115 Cb 0.88 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2xf0 h MET 115 CO 0.08 0.87 -0.38 0.00 1.06 0.00 0.00 176.91 178.53 2xf0 h ALA 116 N 1.18 -0.85 -0.68 6.32 0.00 -1.13 0.26 119.26 124.36 2xf0 h ALA 116 Ca 0.26 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2xf0 h ALA 116 Cb 0.14 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2xf0 h ALA 116 CO -0.03 -1.01 0.39 0.78 0.00 0.00 0.00 179.25 179.38 2xf0 h GLY 117 N -0.81 1.00 1.13 0.00 0.00 -1.19 -1.86 103.07 101.33 2xf0 h GLY 117 Ca -0.04 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 2xf0 h GLY 117 CO -0.04 0.19 -0.68 -2.08 0.00 0.00 0.00 176.54 173.92 2xf0 h VAL 118 N 0.73 1.29 -0.57 4.60 2.07 -0.97 -2.20 116.25 121.19 2xf0 h VAL 118 Ca 0.30 -1.89 0.10 0.00 0.82 0.00 0.00 66.70 66.03 2xf0 h VAL 118 Cb 0.15 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 2xf0 h VAL 118 CO -0.16 0.60 0.16 0.58 0.02 0.00 0.00 177.57 178.76 2xf0 h VAL 119 N 0.52 0.71 0.80 2.57 2.07 -0.36 -1.31 116.25 121.25 2xf0 h VAL 119 Ca -0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2xf0 h VAL 119 Cb 1.31 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2xf0 h VAL 119 CO 0.14 0.06 -0.41 0.22 0.02 0.00 0.00 177.57 177.60 2xf0 h TYR 120 N 0.31 -1.08 -0.51 1.57 3.20 -1.15 -0.96 116.97 118.35 2xf0 h TYR 120 Ca 0.29 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.24 2xf0 h TYR 120 Cb 0.40 0.36 -0.10 0.00 1.54 0.00 0.00 36.73 38.93 2xf0 h TYR 120 CO -0.21 -0.65 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.34 2xf0 h LEU 121 N -1.11 -0.86 -1.47 2.82 3.38 -1.32 -0.71 115.31 116.03 2xf0 h LEU 121 Ca -0.11 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2xf0 h LEU 121 Cb 0.87 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 2xf0 h LEU 121 CO 0.16 -0.27 0.48 0.45 0.09 0.00 0.00 178.44 179.36 2xf0 h HIS 122 N -0.13 0.63 0.00 1.13 3.86 -1.06 0.21 115.15 119.78 2xf0 h HIS 122 Ca 0.23 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2xf0 h HIS 122 Cb 0.50 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2xf0 h HIS 122 CO -0.53 0.28 0.00 0.78 0.86 0.00 0.00 177.93 179.32 2xf0 h GLY 123 N 0.58 0.00 -3.13 2.45 0.00 0.26 -2.52 103.07 100.71 2xf0 h GLY 123 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.44 2xf0 h GLY 123 CO -0.12 0.00 0.23 0.29 0.00 0.00 0.00 176.54 176.94 2xf0 n ILE 124 N -2.95 2.82 -1.67 2.60 -5.35 -0.70 -4.95 119.36 109.15 2xf0 n ILE 124 Ca 0.03 -1.93 -0.15 0.00 -0.27 0.00 0.00 62.75 60.44 2xf0 n ILE 124 Cb 0.46 -0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 2xf0 n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2xf0 n GLY 125 N -0.55 1.02 3.45 3.28 0.00 -0.95 -4.93 105.19 106.50 2xf0 n GLY 125 Ca 0.40 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2xf0 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xf0 s ILE 126 N -2.60 3.49 -0.13 -0.61 1.01 0.65 -1.07 121.20 121.95 2xf0 s ILE 126 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2xf0 s ILE 126 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2xf0 s ILE 126 CO 0.00 0.52 -0.13 0.28 0.00 0.00 0.00 174.94 175.60 2xf0 s THR 127 N 0.26 3.04 0.05 2.92 -1.32 -0.78 -2.89 115.64 116.92 2xf0 s THR 127 Ca -0.06 -0.67 -0.22 0.00 -1.21 0.00 0.00 61.69 59.53 2xf0 s THR 127 Cb -0.15 -2.27 -0.14 0.00 -1.51 0.00 0.00 72.50 68.43 2xf0 s THR 127 CO 0.04 0.53 1.49 -0.74 -2.21 0.00 0.00 174.62 173.72 2xf0 h HIS 128 N 6.63 0.18 0.00 9.09 2.76 -1.91 -2.57 115.15 129.33 2xf0 h HIS 128 Ca -0.26 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2xf0 h HIS 128 Cb 1.21 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2xf0 h HIS 128 CO 0.50 0.40 0.00 0.54 -1.30 0.00 0.00 177.93 178.08 2xf0 n ARG 129 N -4.83 0.00 -2.38 5.26 1.74 -1.26 -3.14 116.66 112.04 2xf0 n ARG 129 Ca -0.06 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 2xf0 n ARG 129 Cb 0.19 -2.29 0.04 0.00 -1.02 0.00 0.00 32.46 29.37 2xf0 n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2xf0 n ASP 130 N 0.00 1.33 -4.73 0.55 4.64 -1.26 -3.68 116.55 113.41 2xf0 n ASP 130 Ca 0.00 -2.02 -0.42 0.00 -1.38 0.00 0.00 54.79 50.98 2xf0 n ASP 130 Cb 0.00 -0.40 -0.03 0.00 -1.04 0.00 0.00 41.12 39.65 2xf0 n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2xf0 s ILE 131 N -2.47 2.36 -0.21 5.18 1.01 -1.26 -4.85 121.20 120.97 2xf0 s ILE 131 Ca 0.29 0.27 -0.34 0.00 0.00 0.00 0.00 60.65 60.87 2xf0 s ILE 131 Cb 0.34 -3.17 0.15 0.00 0.01 0.00 0.00 42.46 39.79 2xf0 s ILE 131 CO -0.08 0.03 1.22 -1.59 0.00 0.00 0.00 174.94 174.51 2xf0 s LYS 132 N 0.76 0.28 0.65 2.79 -2.85 -1.26 -4.86 119.74 115.25 2xf0 s LYS 132 Ca 0.69 -0.06 0.37 0.00 -1.00 0.00 0.00 55.97 55.97 2xf0 s LYS 132 Cb -0.46 0.13 2.07 0.00 -2.06 0.00 0.00 37.83 37.51 2xf0 s LYS 132 CO 0.35 -0.11 2.22 -1.35 0.10 0.00 0.00 175.35 176.56 2xf0 h PRO 133 N 2.06 0.00 0.00 1.78 0.11 -1.92 0.11 132.00 134.14 2xf0 h PRO 133 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2xf0 h PRO 133 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2xf0 h PRO 133 CO 0.23 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.95 2xf0 h GLU 134 N 0.00 0.00 -0.07 1.05 3.07 -1.95 -3.00 114.58 113.68 2xf0 h GLU 134 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2xf0 h GLU 134 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2xf0 h GLU 134 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2xf0 n ASN 135 N -2.68 2.75 -4.07 1.42 3.02 0.38 -4.82 115.26 111.26 2xf0 n ASN 135 Ca 0.02 -3.04 -0.32 0.00 -0.03 0.00 0.00 54.58 51.21 2xf0 n ASN 135 Cb 0.32 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.90 2xf0 n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2xf0 s LEU 136 N -2.81 4.10 0.25 3.41 1.43 -1.14 -1.34 118.68 122.57 2xf0 s LEU 136 Ca 0.34 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 51.74 2xf0 s LEU 136 Cb 0.29 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2xf0 s LEU 136 CO 0.05 -0.29 0.44 -0.76 0.23 0.00 0.00 176.35 176.02 2xf0 s LEU 137 N 1.05 4.17 -0.10 1.79 1.43 -0.41 -1.12 118.68 125.49 2xf0 s LEU 137 Ca -0.00 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2xf0 s LEU 137 Cb -0.20 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 2xf0 s LEU 137 CO -0.06 -0.12 -0.23 -0.76 0.23 0.00 0.00 176.35 175.42 2xf0 s LEU 138 N -3.61 2.17 0.00 1.79 1.43 0.13 -0.33 118.68 120.26 2xf0 s LEU 138 Ca 0.39 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2xf0 s LEU 138 Cb -0.10 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.73 2xf0 s LEU 138 CO 0.31 0.18 0.29 -0.90 0.23 0.00 0.00 176.35 176.45 2xf0 n ASP 139 N 3.41 0.13 -0.30 2.29 3.85 -0.62 0.24 116.55 125.56 2xf0 n ASP 139 Ca -0.19 -1.17 -0.02 0.00 -0.71 0.00 0.00 54.79 52.70 2xf0 n ASP 139 Cb 0.53 -0.21 0.15 0.00 -1.35 0.00 0.00 41.12 40.24 2xf0 n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2xf0 h GLU 140 N 0.00 1.18 0.00 0.11 9.09 -1.91 0.05 114.58 123.11 2xf0 h GLU 140 Ca -0.09 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.22 2xf0 h GLU 140 Cb 0.29 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2xf0 h GLU 140 CO 0.08 0.82 0.00 0.54 0.05 0.00 0.00 179.01 180.50 2xf0 n ARG 141 N -4.37 0.78 -1.03 1.06 1.74 -1.26 -4.86 116.66 108.72 2xf0 n ARG 141 Ca 0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 2xf0 n ARG 141 Cb 0.06 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2xf0 n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2xf0 n ASP 142 N -1.10 -3.17 -4.75 0.55 10.43 0.00 -5.02 116.55 113.50 2xf0 n ASP 142 Ca 0.20 0.02 -0.41 0.00 2.57 0.00 0.00 54.79 57.18 2xf0 n ASP 142 Cb 0.15 -0.75 -0.03 0.00 1.84 0.00 0.00 41.12 42.33 2xf0 n ASP 142 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2xf0 s ASN 143 N -2.70 7.02 0.15 -2.24 0.01 -1.26 -4.65 114.94 111.27 2xf0 s ASN 143 Ca 0.00 2.36 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 2xf0 s ASN 143 Cb 0.00 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.97 2xf0 s ASN 143 CO 0.00 -0.39 0.98 -0.22 -1.51 0.00 0.00 177.10 175.95 2xf0 s LEU 144 N -0.71 4.54 -0.09 0.60 0.20 -1.26 -1.58 118.68 120.38 2xf0 s LEU 144 Ca 0.51 1.88 0.00 0.00 0.69 0.00 0.00 54.13 57.21 2xf0 s LEU 144 Cb -0.35 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 41.84 2xf0 s LEU 144 CO 0.41 -0.03 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.83 2xf0 s LYS 145 N -0.37 1.29 0.14 1.98 -0.14 0.55 -4.26 119.74 118.92 2xf0 s LYS 145 Ca 0.46 -0.19 -0.31 0.00 -1.36 0.00 0.00 55.97 54.56 2xf0 s LYS 145 Cb -0.25 -1.35 -0.09 0.00 -1.68 0.00 0.00 37.83 34.46 2xf0 s LYS 145 CO 0.31 -0.20 1.54 0.42 -0.76 0.00 0.00 175.35 176.66 2xf0 s ILE 146 N 1.49 2.84 0.08 2.17 1.01 0.12 -1.29 121.20 127.62 2xf0 s ILE 146 Ca -0.00 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.27 2xf0 s ILE 146 Cb -0.13 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2xf0 s ILE 146 CO -0.05 0.04 -0.18 -0.55 0.00 0.00 0.00 174.94 174.20 2xf0 s SER 147 N 1.34 2.11 -0.10 3.58 0.15 -0.45 -1.05 113.70 119.29 2xf0 s SER 147 Ca 0.69 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 56.65 2xf0 s SER 147 Cb -0.42 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 63.82 2xf0 s SER 147 CO 0.31 0.01 0.13 -0.67 1.20 0.00 0.00 173.24 174.22 2xf0 n ASP 148 N 1.28 -2.16 -1.59 5.45 -0.08 -1.26 -4.82 116.55 113.36 2xf0 n ASP 148 Ca -0.20 0.98 -0.10 0.00 -1.51 0.00 0.00 54.79 53.96 2xf0 n ASP 148 Cb 0.54 -3.86 0.21 0.00 2.34 0.00 0.00 41.12 40.35 2xf0 n ASP 148 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2xf0 n PHE 149 N 1.17 1.89 0.26 -0.67 3.01 -1.26 -4.59 117.46 117.27 2xf0 n PHE 149 Ca -0.23 -1.58 0.13 0.00 1.01 0.00 0.00 57.45 56.78 2xf0 n PHE 149 Cb 0.35 -0.65 0.72 0.00 -0.01 0.00 0.00 39.48 39.89 2xf0 n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2xf0 h GLY 150 N 1.27 0.00 -1.33 1.37 0.00 -1.93 -2.71 103.07 99.74 2xf0 h GLY 150 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2xf0 h GLY 150 CO 0.65 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.23 2xf0 n LEU 151 N -3.61 2.49 -4.79 3.11 4.77 -1.26 -4.92 117.00 112.78 2xf0 n LEU 151 Ca -0.02 -1.23 -0.33 0.00 -0.03 0.00 0.00 56.01 54.41 2xf0 n LEU 151 Cb 0.25 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2xf0 n LEU 151 CO 0.30 0.50 0.72 0.00 -1.33 0.00 0.00 177.39 177.58 2xf0 s ALA 152 N -1.20 2.63 0.27 -1.18 0.00 -1.02 -4.68 121.76 116.59 2xf0 s ALA 152 Ca 0.21 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 2xf0 s ALA 152 Cb 0.13 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2xf0 s ALA 152 CO 0.19 -1.04 0.60 -0.08 0.00 0.00 0.00 175.76 175.43 2xf0 s THR 153 N -2.50 0.00 -0.09 0.00 -1.32 -0.97 -4.95 115.64 105.81 2xf0 s THR 153 Ca 0.64 -1.23 -0.23 0.00 -1.21 0.00 0.00 61.69 59.67 2xf0 s THR 153 Cb -0.17 -2.19 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 2xf0 s THR 153 CO 0.41 0.00 0.68 -0.69 -2.21 0.00 0.00 174.62 172.81 2xf0 s VAL 154 N -3.82 5.05 0.00 5.08 1.01 -1.26 -1.86 120.40 124.60 2xf0 s VAL 154 Ca 0.18 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2xf0 s VAL 154 Cb -0.03 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2xf0 s VAL 154 CO 0.09 0.23 0.38 2.22 0.00 0.00 0.00 175.10 178.02 2xf0 n PHE 155 N 4.02 0.00 -3.69 5.22 -1.74 -0.23 -4.87 117.46 116.17 2xf0 n PHE 155 Ca -0.01 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.74 2xf0 n PHE 155 Cb 0.51 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.38 2xf0 n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2xf0 s ARG 156 N -0.14 0.16 -0.06 3.97 3.52 -1.17 -1.12 118.95 124.10 2xf0 s ARG 156 Ca 0.00 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.19 2xf0 s ARG 156 Cb 0.00 -0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2xf0 s ARG 156 CO 0.00 -0.23 0.14 -0.47 -0.81 0.00 0.00 175.30 173.93 2xf0 s TYR 157 N 1.87 -0.16 -1.65 5.12 5.04 -0.16 -4.48 117.35 122.94 2xf0 s TYR 157 Ca -0.03 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.04 2xf0 s TYR 157 Cb -0.11 -0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.11 2xf0 s TYR 157 CO -0.08 -0.16 0.28 0.09 -1.34 0.00 0.00 175.55 174.34 2xf0 n ASN 158 N 4.20 -5.94 -0.25 4.32 3.02 -1.26 -1.43 115.26 117.92 2xf0 n ASN 158 Ca -0.26 -0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.11 2xf0 n ASN 158 Cb 0.52 -4.86 -0.01 0.00 -0.61 0.00 0.00 39.78 34.82 2xf0 n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2xf0 n ASN 159 N -2.15 -3.89 -4.31 6.41 3.02 -1.26 -5.01 115.26 108.06 2xf0 n ASN 159 Ca -0.18 0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.12 2xf0 n ASN 159 Cb 0.65 -1.68 -0.15 0.00 -0.61 0.00 0.00 39.78 37.99 2xf0 n ASN 159 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2xf0 s ARG 160 N -1.58 3.26 -0.08 3.52 6.06 -0.51 -5.11 118.95 124.52 2xf0 s ARG 160 Ca 0.00 -0.76 -0.17 0.00 -2.50 0.00 0.00 55.73 52.30 2xf0 s ARG 160 Cb 0.00 -2.50 -0.05 0.00 0.06 0.00 0.00 34.95 32.46 2xf0 s ARG 160 CO 0.00 0.20 0.44 -2.00 -2.50 0.00 0.00 175.30 171.44 2xf0 s GLU 161 N 0.35 4.19 -0.20 5.12 2.12 -1.26 -0.98 118.70 128.03 2xf0 s GLU 161 Ca -0.14 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.56 2xf0 s GLU 161 Cb -0.17 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2xf0 s GLU 161 CO 0.07 0.36 -0.04 1.03 -0.54 0.00 0.00 175.26 176.14 2xf0 s ARG 162 N -0.03 3.48 0.61 4.30 0.52 -0.28 -4.98 118.95 122.57 2xf0 s ARG 162 Ca 0.24 -0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 54.68 2xf0 s ARG 162 Cb -0.16 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2xf0 s ARG 162 CO 0.11 -0.06 1.20 -0.51 0.02 0.00 0.00 175.30 176.06 2xf0 s LEU 163 N 1.13 3.62 -0.23 2.53 1.43 -1.26 -4.68 118.68 121.23 2xf0 s LEU 163 Ca 0.02 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.38 2xf0 s LEU 163 Cb -0.15 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 2xf0 s LEU 163 CO -0.00 -1.64 0.12 -0.76 0.23 0.00 0.00 176.35 174.30 2xf0 s LEU 164 N -4.20 3.94 -0.20 1.79 1.43 -0.16 -4.85 118.68 116.43 2xf0 s LEU 164 Ca 0.76 0.05 0.17 0.00 -1.03 0.00 0.00 54.13 54.08 2xf0 s LEU 164 Cb -0.29 -2.04 -0.24 0.00 0.03 0.00 0.00 46.19 43.65 2xf0 s LEU 164 CO 0.34 0.08 0.05 -0.46 0.23 0.00 0.00 176.35 176.59 2xf0 n ASN 165 N 4.20 0.22 -4.77 2.29 0.23 -1.26 -2.33 115.26 113.85 2xf0 n ASN 165 Ca -0.16 -0.01 -0.40 0.00 -0.53 0.00 0.00 54.58 53.49 2xf0 n ASN 165 Cb 0.52 0.91 -0.02 0.00 -2.08 0.00 0.00 39.78 39.11 2xf0 n ASN 165 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2xf0 s LYS 166 N -2.48 4.33 -0.15 -3.83 1.02 -1.26 -4.87 119.74 112.50 2xf0 s LYS 166 Ca -0.11 2.03 -0.14 0.00 0.02 0.00 0.00 55.97 57.77 2xf0 s LYS 166 Cb 0.06 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 2xf0 s LYS 166 CO 0.80 -0.14 0.32 -1.64 -0.92 0.00 0.00 175.35 173.77 2xf0 s MET 167 N -1.85 4.25 0.18 1.68 -1.94 -1.26 -5.06 119.30 115.31 2xf0 s MET 167 Ca 0.50 0.16 -0.08 0.00 -1.71 0.00 0.00 55.69 54.55 2xf0 s MET 167 Cb -0.36 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.09 2xf0 s MET 167 CO 0.47 0.24 0.44 0.00 -0.01 0.00 0.00 175.02 176.15 2xf0 n GLY 169 N -0.30 -1.22 3.15 0.00 0.00 -1.24 -4.95 105.19 100.64 2xf0 n GLY 169 Ca -0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2xf0 n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xf0 s THR 170 N 0.00 1.75 0.17 2.61 2.01 -1.26 -5.05 115.64 115.87 2xf0 s THR 170 Ca 0.00 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 60.92 2xf0 s THR 170 Cb 0.00 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2xf0 s THR 170 CO 0.00 0.49 1.57 -0.07 -0.69 0.00 0.00 174.62 175.92 2xf0 h LEU 171 N 6.91 -1.47 -1.61 4.42 3.38 -1.93 -0.30 115.31 124.72 2xf0 h LEU 171 Ca -0.25 0.25 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2xf0 h LEU 171 Cb 1.21 0.67 -0.05 0.00 0.09 0.00 0.00 40.66 42.59 2xf0 h LEU 171 CO 0.48 -0.33 0.50 -0.65 0.09 0.00 0.00 178.44 178.53 2xf0 h PRO 172 N -0.21 0.37 -0.00 1.13 0.11 -1.70 -1.85 132.00 129.84 2xf0 h PRO 172 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2xf0 h PRO 172 Cb 0.56 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2xf0 h PRO 172 CO -0.70 0.25 -0.54 0.66 -0.21 0.00 0.00 178.00 177.46 2xf0 n TYR 173 N -4.47 0.00 -2.41 0.65 4.01 -0.22 -4.85 117.16 109.86 2xf0 n TYR 173 Ca 0.14 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.50 2xf0 n TYR 173 Cb 0.53 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 2xf0 n TYR 173 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2xf0 s VAL 174 N -2.93 3.41 0.60 -0.72 0.11 -0.59 -3.44 120.40 116.85 2xf0 s VAL 174 Ca 0.12 1.17 -0.15 0.00 -2.93 0.00 0.00 61.98 60.19 2xf0 s VAL 174 Cb 0.18 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 2xf0 s VAL 174 CO 0.70 0.09 1.05 0.00 -3.33 0.00 0.00 175.10 173.61 2xf0 s ALA 175 N -1.48 2.76 0.15 1.54 0.00 -1.26 -4.60 121.76 118.87 2xf0 s ALA 175 Ca 0.56 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 2xf0 s ALA 175 Cb -0.27 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2xf0 s ALA 175 CO 0.34 -0.81 1.65 -1.35 0.00 0.00 0.00 175.76 175.58 2xf0 h PRO 176 N 0.34 0.82 -0.73 0.00 0.11 -1.90 -3.16 132.00 127.48 2xf0 h PRO 176 Ca -0.46 -0.21 0.07 0.00 0.11 0.00 0.00 66.00 65.51 2xf0 h PRO 176 Cb 1.22 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2xf0 h PRO 176 CO 0.58 0.81 0.48 1.05 -0.21 0.00 0.00 178.00 180.70 2xf0 h GLU 177 N 0.71 0.70 0.00 1.05 9.09 -1.95 -1.48 114.58 122.70 2xf0 h GLU 177 Ca 0.16 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.52 2xf0 h GLU 177 Cb 0.37 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2xf0 h GLU 177 CO 0.01 0.46 -0.02 1.25 0.05 0.00 0.00 179.01 180.76 2xf0 h LEU 178 N 0.72 0.00 0.00 3.06 6.46 -1.87 0.52 115.31 124.20 2xf0 h LEU 178 Ca 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2xf0 h LEU 178 Cb 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2xf0 h LEU 178 CO -0.11 0.02 -0.98 0.18 -0.62 0.00 0.00 178.44 176.93 2xf0 n LEU 179 N -3.99 0.78 -0.26 2.25 4.77 -0.59 -4.42 117.00 115.55 2xf0 n LEU 179 Ca -0.03 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2xf0 n LEU 179 Cb 0.10 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2xf0 n LEU 179 CO 0.29 -0.14 0.34 0.29 -1.33 0.00 0.00 177.39 176.84 2xf0 n LYS 180 N -2.51 0.25 -4.34 3.23 5.02 -0.16 -5.04 118.16 114.61 2xf0 n LYS 180 Ca 0.01 -0.85 -0.19 0.00 -2.02 0.00 0.00 58.31 55.25 2xf0 n LYS 180 Cb 0.52 -1.11 -0.13 0.00 -0.02 0.00 0.00 35.03 34.29 2xf0 n LYS 180 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2xf0 s ARG 181 N -0.63 0.89 0.08 1.97 0.52 0.16 -5.02 118.95 116.92 2xf0 s ARG 181 Ca 0.08 -0.71 -0.20 0.00 -0.52 0.00 0.00 55.73 54.38 2xf0 s ARG 181 Cb 0.06 -0.88 -0.09 0.00 0.52 0.00 0.00 34.95 34.56 2xf0 s ARG 181 CO 0.10 0.22 1.58 -0.09 0.02 0.00 0.00 175.30 177.13 2xf0 h ARG 182 N 5.01 0.32 -4.66 3.54 2.43 -1.94 -3.45 114.38 115.63 2xf0 h ARG 182 Ca -0.37 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 58.47 2xf0 h ARG 182 Cb 1.18 -0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 30.51 2xf0 h ARG 182 CO 0.44 0.43 -0.71 -1.21 -1.51 0.00 0.00 179.97 177.41 2xf0 s GLU 183 N -5.34 0.73 0.04 0.20 2.02 -1.26 -4.41 118.70 110.67 2xf0 s GLU 183 Ca -0.14 -1.11 -0.23 0.00 0.02 0.00 0.00 54.97 53.52 2xf0 s GLU 183 Cb 0.07 -0.27 0.05 0.00 0.10 0.00 0.00 34.13 34.08 2xf0 s GLU 183 CO 0.72 0.02 0.52 -0.59 0.02 0.00 0.00 175.26 175.94 2xf0 s PHE 184 N -2.69 -0.43 0.31 1.61 -0.12 -0.98 -4.95 117.98 110.72 2xf0 s PHE 184 Ca 0.03 0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 57.12 2xf0 s PHE 184 Cb -0.01 0.34 -0.10 0.00 -0.63 0.00 0.00 43.02 42.62 2xf0 s PHE 184 CO -0.02 -0.63 1.23 -1.01 -0.05 0.00 0.00 175.22 174.73 2xf0 s HIS 185 N -2.34 3.26 0.17 3.49 3.76 -1.26 -0.99 115.29 121.38 2xf0 s HIS 185 Ca -0.06 1.52 -0.07 0.00 -0.15 0.00 0.00 55.06 56.30 2xf0 s HIS 185 Cb -0.01 -3.53 0.05 0.00 1.11 0.00 0.00 32.58 30.21 2xf0 s HIS 185 CO -0.01 -1.35 1.50 0.00 -0.85 0.00 0.00 174.74 174.03 2xf0 h ALA 186 N 3.59 0.66 0.10 -1.40 0.00 -1.94 -3.36 119.26 116.90 2xf0 h ALA 186 Ca -0.48 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 2xf0 h ALA 186 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2xf0 h ALA 186 CO 0.66 0.67 -0.05 0.93 0.00 0.00 0.00 179.25 181.47 2xf0 h GLU 187 N 0.60 -0.13 -0.53 0.00 5.08 -1.99 -3.00 114.58 114.62 2xf0 h GLU 187 Ca 0.04 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2xf0 h GLU 187 Cb 1.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2xf0 h GLU 187 CO 0.10 0.25 0.36 -1.35 -1.00 0.00 0.00 179.01 177.37 2xf0 h PRO 188 N -0.53 0.20 -0.48 2.33 0.11 -1.89 -1.28 132.00 130.46 2xf0 h PRO 188 Ca -0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2xf0 h PRO 188 Cb 0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2xf0 h PRO 188 CO 0.02 0.14 0.07 0.28 -0.21 0.00 0.00 178.00 178.29 2xf0 h VAL 189 N 0.21 1.23 0.00 3.15 2.07 -1.67 -0.32 116.25 120.92 2xf0 h VAL 189 Ca 0.25 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 2xf0 h VAL 189 Cb 0.70 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2xf0 h VAL 189 CO -0.04 0.31 -0.54 0.44 0.02 0.00 0.00 177.57 177.76 2xf0 h ASP 190 N 0.73 0.00 -0.13 0.57 5.19 -1.13 -2.64 116.42 119.01 2xf0 h ASP 190 Ca 0.15 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.49 2xf0 h ASP 190 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2xf0 h ASP 190 CO 0.01 0.54 -0.22 0.58 -3.12 0.00 0.00 179.24 177.02 2xf0 h VAL 191 N 0.00 1.37 0.10 -1.35 2.07 -1.00 -2.47 116.25 114.97 2xf0 h VAL 191 Ca -0.01 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.06 2xf0 h VAL 191 Cb 1.21 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 2xf0 h VAL 191 CO 0.07 0.43 -0.36 -0.25 0.02 0.00 0.00 177.57 177.48 2xf0 h TRP 192 N -0.03 -1.01 -0.87 1.57 2.91 -1.05 -1.20 115.95 116.28 2xf0 h TRP 192 Ca 0.01 0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.21 2xf0 h TRP 192 Cb 0.80 0.43 -0.07 0.00 -0.51 0.00 0.00 29.16 29.82 2xf0 h TRP 192 CO 0.10 -0.47 0.56 0.66 -1.03 0.00 0.00 178.44 178.27 2xf0 h SER 193 N -0.58 0.56 -0.48 2.65 4.64 -1.49 -1.35 113.55 117.49 2xf0 h SER 193 Ca 0.03 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 2xf0 h SER 193 Cb 0.62 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2xf0 h SER 193 CO -0.23 0.27 -0.16 0.00 -0.87 0.00 0.00 176.83 175.84 2xf0 h GLY 195 N 0.92 -0.41 0.43 0.00 0.00 -0.20 0.29 103.07 104.10 2xf0 h GLY 195 Ca 0.12 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.83 2xf0 h GLY 195 CO 0.06 -0.20 0.49 -2.22 0.00 0.00 0.00 176.54 174.66 2xf0 h ILE 196 N -0.41 0.86 -0.45 2.60 1.08 -1.21 0.97 117.51 120.95 2xf0 h ILE 196 Ca 0.03 -0.27 -0.05 0.00 -0.39 0.00 0.00 64.86 64.19 2xf0 h ILE 196 Cb 0.44 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 2xf0 h ILE 196 CO -0.14 0.14 0.08 0.58 -0.69 0.00 0.00 178.15 178.13 2xf0 h VAL 197 N 0.78 1.21 -0.57 1.67 2.07 -1.13 -1.82 116.25 118.45 2xf0 h VAL 197 Ca 0.43 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 2xf0 h VAL 197 Cb 0.46 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2xf0 h VAL 197 CO -0.28 0.28 0.13 0.25 0.02 0.00 0.00 177.57 177.97 2xf0 h LEU 198 N 0.67 0.87 -0.86 2.57 5.85 0.69 -2.51 115.31 122.59 2xf0 h LEU 198 Ca 0.15 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2xf0 h LEU 198 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2xf0 h LEU 198 CO 0.00 0.88 0.55 0.74 -0.34 0.00 0.00 178.44 180.28 2xf0 h THR 199 N 0.82 1.23 0.00 1.05 2.02 -0.50 -2.16 112.91 115.37 2xf0 h THR 199 Ca 0.18 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2xf0 h THR 199 Cb 0.36 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2xf0 h THR 199 CO 0.00 0.22 -0.16 0.00 0.37 0.00 0.00 175.52 175.96 2xf0 h ALA 200 N 1.30 0.91 0.00 6.16 0.00 -1.24 -0.15 119.26 126.23 2xf0 h ALA 200 Ca 0.31 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2xf0 h ALA 200 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2xf0 h ALA 200 CO -0.06 0.20 -0.83 0.52 0.00 0.00 0.00 179.25 179.08 2xf0 h MET 201 N 0.00 0.00 0.00 0.00 2.07 -1.07 -0.95 114.93 114.98 2xf0 h MET 201 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2xf0 h MET 201 Cb 1.07 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.80 2xf0 h MET 201 CO 0.02 0.83 -1.58 1.28 1.07 0.00 0.00 176.91 178.53 2xf0 n LEU 202 N -3.49 0.35 0.00 1.22 4.77 -0.85 0.05 117.00 119.05 2xf0 n LEU 202 Ca -0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2xf0 n LEU 202 Cb 0.81 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2xf0 n LEU 202 CO 0.45 0.02 -0.34 0.00 -1.33 0.00 0.00 177.39 176.18 2xf0 n ALA 203 N -2.08 1.45 -1.53 -1.18 0.00 -0.09 -4.66 120.51 112.42 2xf0 n ALA 203 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 2xf0 n ALA 203 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 2xf0 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xf0 n GLY 204 N 1.74 1.43 3.35 0.00 0.00 -0.36 -3.21 105.19 108.14 2xf0 n GLY 204 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2xf0 n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xf0 s GLU 205 N -3.45 1.09 -0.08 1.61 -1.05 -1.26 -0.67 118.70 114.90 2xf0 s GLU 205 Ca 0.00 -0.53 -0.12 0.00 -0.15 0.00 0.00 54.97 54.17 2xf0 s GLU 205 Cb 0.00 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.13 2xf0 s GLU 205 CO 0.00 -0.43 0.30 -0.51 0.95 0.00 0.00 175.26 175.57 2xf0 s LEU 206 N -2.55 4.39 0.13 1.83 1.43 -1.26 -4.19 118.68 118.47 2xf0 s LEU 206 Ca 0.00 0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 2xf0 s LEU 206 Cb 0.01 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 2xf0 s LEU 206 CO -0.09 0.29 1.67 -0.65 0.23 0.00 0.00 176.35 177.80 2xf0 h PRO 207 N 5.30 0.62 -3.70 1.29 0.11 -1.94 -3.47 132.00 130.21 2xf0 h PRO 207 Ca -0.50 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 65.37 2xf0 h PRO 207 Cb 1.21 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 2xf0 h PRO 207 CO 0.64 0.59 -0.46 1.67 -0.21 0.00 0.00 178.00 180.23 2xf0 s TRP 208 N -5.50 0.14 0.18 0.65 -2.14 -1.26 -4.74 118.94 106.26 2xf0 s TRP 208 Ca -0.13 -0.41 -0.11 0.00 2.66 0.00 0.00 56.10 58.11 2xf0 s TRP 208 Cb 0.10 -0.09 0.10 0.00 -3.10 0.00 0.00 33.47 30.48 2xf0 s TRP 208 CO 0.76 -0.40 1.74 0.22 -2.66 0.00 0.00 176.95 176.61 2xf0 h ASP 209 N 3.55 0.90 -5.04 -2.66 3.58 -1.93 -3.40 116.42 111.42 2xf0 h ASP 209 Ca -0.32 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 56.91 2xf0 h ASP 209 Cb 1.19 -0.23 -0.14 0.00 1.72 0.00 0.00 39.33 41.87 2xf0 h ASP 209 CO 0.50 0.83 0.04 0.00 -2.88 0.00 0.00 179.24 177.73 2xf0 s GLN 210 N -5.55 1.12 0.00 0.28 -2.07 -1.26 -2.51 119.66 109.67 2xf0 s GLN 210 Ca -0.13 -0.49 0.21 0.00 -1.82 0.00 0.00 55.36 53.13 2xf0 s GLN 210 Cb 0.14 0.51 1.03 0.00 -1.09 0.00 0.00 33.01 33.59 2xf0 s GLN 210 CO 0.81 -0.45 1.66 -2.30 -1.32 0.00 0.00 175.29 173.69 2xf0 n PRO 211 N -0.08 0.27 -1.76 9.60 -0.02 -1.26 -4.68 135.00 137.07 2xf0 n PRO 211 Ca -0.17 0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 2xf0 n PRO 211 Cb 0.63 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.66 2xf0 n PRO 211 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2xf0 s SER 212 N -2.61 5.14 0.51 2.55 1.04 -1.26 -4.89 113.70 114.18 2xf0 s SER 212 Ca 0.19 2.76 0.17 0.00 0.48 0.00 0.00 55.95 59.55 2xf0 s SER 212 Cb 0.14 -2.63 1.27 0.00 0.10 0.00 0.00 66.02 64.89 2xf0 s SER 212 CO 0.32 -1.66 2.13 0.44 0.98 0.00 0.00 173.24 175.45 2xf0 h ASP 213 N 1.31 0.00 -0.96 7.02 3.32 -1.97 -1.64 116.42 123.50 2xf0 h ASP 213 Ca -0.51 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.56 2xf0 h ASP 213 Cb 1.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 2xf0 h ASP 213 CO 0.57 0.04 0.63 -1.28 -1.72 0.00 0.00 179.24 177.47 2xf0 h SER 214 N 0.00 1.07 -3.14 6.45 0.87 -1.95 -3.42 113.55 113.44 2xf0 h SER 214 Ca -0.00 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 2xf0 h SER 214 Cb 0.07 -0.26 0.05 0.00 -0.44 0.00 0.00 62.40 61.82 2xf0 h SER 214 CO 0.00 0.76 0.82 0.00 -0.53 0.00 0.00 176.83 177.89 2xf0 h GLN 216 N 5.77 1.01 -0.72 0.00 5.75 -1.86 -3.20 115.11 121.86 2xf0 h GLN 216 Ca -0.45 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 57.76 2xf0 h GLN 216 Cb 1.21 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 2xf0 h GLN 216 CO 0.84 0.94 0.32 0.93 -2.65 0.00 0.00 178.83 179.20 2xf0 h GLU 217 N 0.92 1.05 -0.79 1.69 3.07 -1.91 -2.68 114.58 115.92 2xf0 h GLU 217 Ca 0.19 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 2xf0 h GLU 217 Cb 0.41 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2xf0 h GLU 217 CO 0.01 0.84 0.29 -0.92 -1.40 0.00 0.00 179.01 177.83 2xf0 h TYR 218 N 1.01 1.22 -0.82 4.33 3.20 -1.83 -2.74 116.97 121.34 2xf0 h TYR 218 Ca 0.24 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2xf0 h TYR 218 Cb 0.16 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2xf0 h TYR 218 CO 0.01 0.93 0.38 0.77 -1.64 0.00 0.00 178.16 178.61 2xf0 h SER 219 N 1.15 1.09 -0.77 -2.11 0.02 -1.51 -2.08 113.55 109.34 2xf0 h SER 219 Ca 0.26 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2xf0 h SER 219 Cb 0.25 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2xf0 h SER 219 CO -0.02 0.93 0.38 0.44 -1.14 0.00 0.00 176.83 177.43 2xf0 h ASP 220 N 1.18 1.00 -0.76 3.07 3.45 -1.23 -2.02 116.42 121.10 2xf0 h ASP 220 Ca 0.28 -0.13 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 2xf0 h ASP 220 Cb 0.14 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 2xf0 h ASP 220 CO -0.03 0.84 0.26 -0.25 -1.57 0.00 0.00 179.24 178.49 2xf0 h TRP 221 N 1.08 1.21 -0.20 4.55 2.91 -1.23 -1.46 115.95 122.81 2xf0 h TRP 221 Ca 0.27 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 2xf0 h TRP 221 Cb 0.10 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.39 2xf0 h TRP 221 CO 0.01 0.94 -0.03 0.87 -1.03 0.00 0.00 178.44 179.20 2xf0 h LYS 222 N 1.13 0.30 -0.01 2.65 1.57 -0.95 -1.16 116.57 120.10 2xf0 h LYS 222 Ca 0.25 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2xf0 h LYS 222 Cb 0.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2xf0 h LYS 222 CO -0.01 0.36 0.00 0.39 -0.57 0.00 0.00 179.45 179.62 2xf0 n GLU 223 N -4.34 1.34 -2.90 3.15 1.02 -0.80 -4.93 120.64 113.19 2xf0 n GLU 223 Ca -0.00 -0.50 -0.15 0.00 -0.02 0.00 0.00 57.16 56.49 2xf0 n GLU 223 Cb 0.21 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.18 2xf0 n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2xf0 n LYS 224 N -0.39 -3.86 -2.19 3.49 5.02 -0.44 -4.93 118.16 114.86 2xf0 n LYS 224 Ca 0.21 0.58 -0.43 0.00 -2.02 0.00 0.00 58.31 56.66 2xf0 n LYS 224 Cb 0.24 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 2xf0 n LYS 224 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2xf0 n LYS 225 N -3.08 3.22 0.27 1.97 5.02 -0.59 -4.74 118.16 120.23 2xf0 n LYS 225 Ca -0.05 -3.15 0.13 0.00 -2.02 0.00 0.00 58.31 53.23 2xf0 n LYS 225 Cb 0.57 -3.17 0.75 0.00 -0.02 0.00 0.00 35.03 33.15 2xf0 n LYS 225 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2xf0 h THR 226 N 4.20 0.50 -0.33 -0.18 1.35 -1.92 -3.09 112.91 113.46 2xf0 h THR 226 Ca 0.47 -0.51 0.01 0.00 -0.55 0.00 0.00 66.41 65.83 2xf0 h THR 226 Cb 0.69 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 2xf0 h THR 226 CO 1.67 0.10 0.22 0.10 -0.25 0.00 0.00 175.52 177.36 2xf0 h TYR 227 N 0.00 0.39 -4.32 4.73 -0.00 -1.94 -2.88 116.97 112.95 2xf0 h TYR 227 Ca -0.00 0.01 -0.51 0.00 0.00 0.00 0.00 58.73 58.23 2xf0 h TYR 227 Cb 0.33 -0.13 0.12 0.00 0.00 0.00 0.00 36.73 37.05 2xf0 h TYR 227 CO 0.00 0.24 0.34 -0.51 -0.00 0.00 0.00 178.16 178.23 2xf0 s LEU 228 N -9.39 3.04 0.54 0.10 1.43 -1.17 -4.39 118.68 108.84 2xf0 s LEU 228 Ca -0.07 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.57 2xf0 s LEU 228 Cb 0.17 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 2xf0 s LEU 228 CO 0.72 -1.83 1.08 0.20 0.23 0.00 0.00 176.35 176.74 2xf0 s ASN 229 N -3.55 5.91 0.00 2.29 0.01 -1.26 -2.53 114.94 115.81 2xf0 s ASN 229 Ca 0.60 2.00 0.21 0.00 -0.71 0.00 0.00 52.86 54.97 2xf0 s ASN 229 Cb -0.16 -2.56 0.54 0.00 0.41 0.00 0.00 41.25 39.48 2xf0 s ASN 229 CO 0.56 -1.08 1.45 -0.81 -1.51 0.00 0.00 177.10 175.71 2xf0 n PRO 230 N -1.40 2.20 -0.12 -0.60 -0.04 -1.26 -4.90 135.00 128.88 2xf0 n PRO 230 Ca 0.10 -1.82 0.01 0.00 -0.04 0.00 0.00 63.50 61.75 2xf0 n PRO 230 Cb 0.52 -1.46 0.29 0.00 -0.04 0.00 0.00 33.50 32.81 2xf0 n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2xf0 h TRP 231 N 3.52 0.76 -0.20 0.54 4.06 -1.70 -2.76 115.95 120.17 2xf0 h TRP 231 Ca 0.00 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2xf0 h TRP 231 Cb 0.78 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 2xf0 h TRP 231 CO 0.21 0.54 0.03 1.57 -3.56 0.00 0.00 178.44 177.23 2xf0 h LYS 232 N 0.79 0.28 0.00 0.49 2.10 -1.31 -1.83 116.57 117.09 2xf0 h LYS 232 Ca 0.20 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2xf0 h LYS 232 Cb 0.03 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2xf0 h LYS 232 CO -0.03 0.28 0.00 1.63 -2.00 0.00 0.00 179.45 179.33 2xf0 n LYS 233 N -4.40 0.18 -3.76 0.07 5.02 -1.04 -4.80 118.16 109.44 2xf0 n LYS 233 Ca -0.00 0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 56.28 2xf0 n LYS 233 Cb 0.16 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 2xf0 n LYS 233 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xf0 s ILE 234 N -3.24 5.38 0.80 -0.18 1.01 -0.69 -4.88 121.20 119.40 2xf0 s ILE 234 Ca 0.06 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 2xf0 s ILE 234 Cb 0.10 -3.49 0.08 0.00 0.01 0.00 0.00 42.46 39.16 2xf0 s ILE 234 CO 0.42 0.58 1.11 -0.62 0.00 0.00 0.00 174.94 176.43 2xf0 s ASP 235 N -0.80 4.10 0.33 3.58 -1.08 -1.26 -4.81 116.67 116.72 2xf0 s ASP 235 Ca 0.16 1.97 0.14 0.00 -0.52 0.00 0.00 52.55 54.31 2xf0 s ASP 235 Cb -0.13 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.33 2xf0 s ASP 235 CO 0.05 -2.31 1.69 0.77 0.52 0.00 0.00 175.17 175.89 2xf0 h SER 236 N -1.19 0.00 0.43 -0.34 4.64 -1.97 -1.77 113.55 113.35 2xf0 h SER 236 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2xf0 h SER 236 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2xf0 h SER 236 CO 0.49 0.49 -0.21 0.00 -0.87 0.00 0.00 176.83 176.73 2xf0 h ALA 237 N 1.51 -0.58 -0.37 5.18 0.00 -2.00 -1.05 119.26 121.95 2xf0 h ALA 237 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2xf0 h ALA 237 Cb 0.96 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2xf0 h ALA 237 CO 0.06 -0.71 0.07 -1.35 0.00 0.00 0.00 179.25 177.33 2xf0 h PRO 238 N -0.82 0.54 -0.49 0.00 0.11 -1.94 -2.27 132.00 127.13 2xf0 h PRO 238 Ca -0.06 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 2xf0 h PRO 238 Cb 0.55 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2xf0 h PRO 238 CO 0.10 0.52 0.10 1.25 -0.21 0.00 0.00 178.00 179.76 2xf0 h LEU 239 N 0.53 0.70 -0.68 2.35 5.85 -1.27 -0.83 115.31 121.97 2xf0 h LEU 239 Ca 0.12 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2xf0 h LEU 239 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2xf0 h LEU 239 CO -0.00 0.71 0.32 0.00 -0.34 0.00 0.00 178.44 179.13 2xf0 h ALA 240 N 1.39 0.88 -0.54 1.25 0.00 -0.60 -0.25 119.26 121.39 2xf0 h ALA 240 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2xf0 h ALA 240 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2xf0 h ALA 240 CO 0.00 0.45 0.33 1.25 0.00 0.00 0.00 179.25 181.28 2xf0 h LEU 241 N 0.95 0.64 -1.25 0.00 5.85 -1.07 -2.60 115.31 117.83 2xf0 h LEU 241 Ca 0.23 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2xf0 h LEU 241 Cb 0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2xf0 h LEU 241 CO -0.03 0.50 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.14 2xf0 h LEU 242 N 0.72 0.02 -1.60 2.25 3.38 -0.94 0.12 115.31 119.25 2xf0 h LEU 242 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2xf0 h LEU 242 Cb -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2xf0 h LEU 242 CO -0.04 0.38 -0.13 0.45 0.09 0.00 0.00 178.44 179.19 2xf0 h HIS 243 N 0.02 0.09 0.01 1.13 3.86 -0.70 0.18 115.15 119.74 2xf0 h HIS 243 Ca -0.00 -0.01 -0.25 0.00 -1.16 0.00 0.00 60.37 58.95 2xf0 h HIS 243 Cb 0.65 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2xf0 h HIS 243 CO 0.00 0.22 -1.31 0.87 0.86 0.00 0.00 177.93 178.58 2xf0 h LYS 244 N 0.08 0.03 0.08 2.45 1.57 -0.85 -3.39 116.57 116.54 2xf0 h LYS 244 Ca 0.02 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2xf0 h LYS 244 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2xf0 h LYS 244 CO 0.02 0.83 -0.85 0.82 -0.57 0.00 0.00 179.45 179.70 2xf0 h ILE 245 N 0.01 1.37 -0.72 1.86 2.04 -0.72 -2.73 117.51 118.61 2xf0 h ILE 245 Ca -0.13 -2.41 -0.68 0.00 1.00 0.00 0.00 64.86 62.64 2xf0 h ILE 245 Cb 1.88 2.99 -0.07 0.00 -0.74 0.00 0.00 36.82 40.88 2xf0 h ILE 245 CO 0.12 0.64 2.65 0.18 0.00 0.00 0.00 178.15 181.74 2xf0 n LEU 246 N -4.22 8.08 -4.64 1.44 4.77 0.02 -4.65 117.00 117.82 2xf0 n LEU 246 Ca -0.18 -4.60 -0.38 0.00 -0.03 0.00 0.00 56.01 50.82 2xf0 n LEU 246 Cb 0.75 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.33 2xf0 n LEU 246 CO 0.39 2.03 -0.06 -0.69 -1.33 0.00 0.00 177.39 177.74 2xf0 s VAL 247 N -0.06 5.27 0.33 4.08 1.01 -1.26 -4.92 120.40 124.86 2xf0 s VAL 247 Ca 0.60 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.99 2xf0 s VAL 247 Cb 0.20 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 33.20 2xf0 s VAL 247 CO -0.09 0.27 1.95 -0.08 0.00 0.00 0.00 175.10 177.15 2xf0 h GLU 248 N 7.75 0.77 -6.53 2.72 4.81 -1.96 -3.40 114.58 118.73 2xf0 h GLU 248 Ca -0.36 -0.09 -0.56 0.00 -0.13 0.00 0.00 59.36 58.22 2xf0 h GLU 248 Cb 1.17 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 2xf0 h GLU 248 CO 0.65 0.59 1.05 1.21 -0.73 0.00 0.00 179.01 181.79 2xf0 s ASN 249 N -6.55 6.33 0.43 1.04 3.84 -1.26 -4.70 114.94 114.07 2xf0 s ASN 249 Ca -0.09 0.62 0.29 0.00 0.21 0.00 0.00 52.86 53.88 2xf0 s ASN 249 Cb 0.17 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.90 2xf0 s ASN 249 CO 0.77 -1.48 1.89 -0.65 -2.79 0.00 0.00 177.10 174.84 2xf0 h PRO 250 N 10.55 0.00 0.00 0.43 0.11 -1.96 0.34 132.00 141.47 2xf0 h PRO 250 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 2xf0 h PRO 250 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2xf0 h PRO 250 CO 1.12 0.00 -1.76 0.45 -0.21 0.00 0.00 178.00 177.60 2xf0 n SER 251 N -2.52 0.35 0.04 -2.05 2.88 -1.26 -3.84 113.62 107.21 2xf0 n SER 251 Ca -0.02 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 2xf0 n SER 251 Cb 0.05 1.13 0.10 0.00 -0.75 0.00 0.00 64.21 64.73 2xf0 n SER 251 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xf0 n ALA 252 N -2.36 3.22 -1.74 -1.46 0.00 0.97 -4.95 120.51 114.19 2xf0 n ALA 252 Ca -0.10 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 2xf0 n ALA 252 Cb 0.73 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 19.18 2xf0 n ALA 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2xf0 s ARG 253 N -3.17 2.68 0.37 0.00 3.52 0.08 -4.94 118.95 117.50 2xf0 s ARG 253 Ca 0.05 2.05 -0.25 0.00 -0.13 0.00 0.00 55.73 57.45 2xf0 s ARG 253 Cb 0.14 -1.91 -0.09 0.00 -1.56 0.00 0.00 34.95 31.54 2xf0 s ARG 253 CO 0.76 -1.49 1.08 -1.50 -0.81 0.00 0.00 175.30 173.34 2xf0 s ILE 254 N -1.41 3.56 0.32 4.11 2.07 -1.03 -5.03 121.20 123.80 2xf0 s ILE 254 Ca 0.81 1.30 -0.01 0.00 -1.41 0.00 0.00 60.65 61.33 2xf0 s ILE 254 Cb -0.37 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.46 2xf0 s ILE 254 CO 0.40 0.11 0.54 0.42 -1.91 0.00 0.00 174.94 174.50 2xf0 s THR 255 N -1.49 5.09 0.22 4.00 -4.23 -1.26 -4.93 115.64 113.03 2xf0 s THR 255 Ca 0.54 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.68 2xf0 s THR 255 Cb -0.26 -3.81 0.18 0.00 1.34 0.00 0.00 72.50 69.95 2xf0 s THR 255 CO 0.33 -0.47 1.70 0.40 -0.54 0.00 0.00 174.62 176.04 2xf0 h ILE 256 N 0.98 0.60 -0.71 2.99 2.04 -1.97 0.72 117.51 122.16 2xf0 h ILE 256 Ca -0.49 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 65.43 2xf0 h ILE 256 Cb 1.21 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2xf0 h ILE 256 CO 0.63 0.04 0.47 -0.65 0.00 0.00 0.00 178.15 178.65 2xf0 h PRO 257 N 0.24 0.38 0.02 2.37 0.11 -2.01 -0.61 132.00 132.50 2xf0 h PRO 257 Ca 0.33 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.21 2xf0 h PRO 257 Cb 0.51 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2xf0 h PRO 257 CO -0.44 0.25 -0.96 -0.44 -0.21 0.00 0.00 178.00 176.20 2xf0 h ASP 258 N 0.39 0.16 -0.00 -2.05 3.45 -1.36 -3.25 116.42 113.75 2xf0 h ASP 258 Ca 0.34 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 2xf0 h ASP 258 Cb 0.79 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 2xf0 h ASP 258 CO -0.10 1.03 -0.07 0.40 -1.57 0.00 0.00 179.24 178.93 2xf0 h ILE 259 N 0.05 1.14 -0.50 0.35 2.04 0.60 -2.05 117.51 119.13 2xf0 h ILE 259 Ca -0.04 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2xf0 h ILE 259 Cb 1.65 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2xf0 h ILE 259 CO 0.14 0.18 0.12 0.11 0.00 0.00 0.00 178.15 178.70 2xf0 h LYS 260 N 0.19 0.76 -0.00 2.37 1.57 -1.43 -2.17 116.57 117.87 2xf0 h LYS 260 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2xf0 h LYS 260 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2xf0 h LYS 260 CO 0.01 0.69 -0.04 1.63 -0.57 0.00 0.00 179.45 181.17 2xf0 n LYS 261 N -4.29 0.77 -1.89 3.15 5.02 -0.79 -4.58 118.16 115.55 2xf0 n LYS 261 Ca 0.03 -0.16 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 2xf0 n LYS 261 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2xf0 n LYS 261 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2xf0 s ASP 262 N -2.34 6.21 0.16 4.39 -1.08 -0.82 -4.93 116.67 118.26 2xf0 s ASP 262 Ca 0.35 2.89 -0.14 0.00 -0.52 0.00 0.00 52.55 55.12 2xf0 s ASP 262 Cb 0.21 -2.65 0.04 0.00 -1.46 0.00 0.00 42.92 39.06 2xf0 s ASP 262 CO 0.43 -0.94 1.73 -0.09 0.52 0.00 0.00 175.17 176.82 2xf0 h ARG 263 N 2.73 0.75 -0.54 4.34 2.43 -1.90 -2.55 114.38 119.64 2xf0 h ARG 263 Ca -0.50 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.47 2xf0 h ARG 263 Cb 1.25 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2xf0 h ARG 263 CO 0.63 0.64 0.06 2.35 -1.51 0.00 0.00 179.97 182.14 2xf0 h TRP 264 N 0.69 0.92 -0.89 2.20 7.01 -1.92 -1.03 115.95 122.93 2xf0 h TRP 264 Ca 0.17 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2xf0 h TRP 264 Cb 0.15 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 2xf0 h TRP 264 CO -0.00 0.81 0.52 -0.92 -2.79 0.00 0.00 178.44 176.06 2xf0 h TYR 265 N 0.83 1.19 -0.04 2.65 5.03 -1.79 -2.32 116.97 122.52 2xf0 h TYR 265 Ca 0.17 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.47 2xf0 h TYR 265 Cb 0.41 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2xf0 h TYR 265 CO 0.02 0.80 0.00 0.09 -1.32 0.00 0.00 178.16 177.76 2xf0 n ASN 266 N -4.35 2.12 -4.73 -2.11 3.02 -0.98 -4.95 115.26 103.28 2xf0 n ASN 266 Ca 0.10 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.52 2xf0 n ASN 266 Cb 0.07 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2xf0 n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2xf0 s LYS 267 N -1.97 4.45 0.19 3.52 2.20 -0.41 -5.01 119.74 122.70 2xf0 s LYS 267 Ca 0.34 1.92 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 2xf0 s LYS 267 Cb 0.21 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 33.20 2xf0 s LYS 267 CO 0.32 -0.17 1.18 -2.14 -0.36 0.00 0.00 175.35 174.17 2xf0 s PRO 268 N 0.04 4.51 0.07 4.03 0.02 -1.26 -5.02 135.00 137.40 2xf0 s PRO 268 Ca 0.55 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.44 2xf0 s PRO 268 Cb -0.33 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 2xf0 s PRO 268 CO 0.36 -0.05 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.38 2xf0 s LEU 269 N -0.29 2.37 0.00 -5.54 1.43 -1.26 -5.12 118.68 110.27 2xf0 s LEU 269 Ca 0.52 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2xf0 s LEU 269 Cb -0.32 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2xf0 s LEU 269 CO 0.36 -0.29 0.00 1.17 0.23 0.00 0.00 176.35 177.83