#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fua s GLU 2 N 0.00 3.94 0.19 3.17 2.12 -1.26 -4.98 118.70 121.87 2fua s GLU 2 Ca 0.00 0.43 -0.13 0.00 0.36 0.00 0.00 54.97 55.63 2fua s GLU 2 Cb 0.00 -2.89 0.19 0.00 0.26 0.00 0.00 34.13 31.69 2fua s GLU 2 CO 0.00 0.46 1.69 -0.09 -0.54 0.00 0.00 175.26 176.78 2fua h ARG 3 N 3.41 0.13 0.00 4.30 2.43 -2.04 -1.32 114.38 121.29 2fua h ARG 3 Ca -0.48 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2fua h ARG 3 Cb 1.19 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2fua h ARG 3 CO 0.66 0.08 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.22 2fua h ASN 4 N 0.13 0.00 0.90 -3.80 2.35 -1.95 0.42 115.58 113.63 2fua h ASN 4 Ca 0.25 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.78 2fua h ASN 4 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 2fua h ASN 4 CO -0.41 0.07 -1.10 0.11 -1.65 0.00 0.00 177.43 174.46 2fua h LYS 5 N 0.00 0.04 -0.02 0.81 1.79 -1.68 -2.68 116.57 114.84 2fua h LYS 5 Ca -0.00 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 2fua h LYS 5 Cb 0.16 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2fua h LYS 5 CO 0.01 1.00 -0.83 -0.07 -1.08 0.00 0.00 179.45 178.47 2fua h LEU 6 N 0.01 0.32 -0.65 2.94 3.38 -0.05 -2.99 115.31 118.27 2fua h LEU 6 Ca -0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2fua h LEU 6 Cb 1.82 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 2fua h LEU 6 CO 0.14 1.02 0.14 0.00 0.09 0.00 0.00 178.44 179.82 2fua h ALA 7 N 0.97 0.86 -0.03 1.53 0.00 -0.23 -2.21 119.26 120.15 2fua h ALA 7 Ca -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2fua h ALA 7 Cb 1.44 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2fua h ALA 7 CO 0.13 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.99 2fua h ARG 8 N 0.98 0.05 -0.57 0.00 3.08 -1.47 -2.45 114.38 114.00 2fua h ARG 8 Ca 0.20 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.32 2fua h ARG 8 Cb 0.39 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 2fua h ARG 8 CO 0.01 0.19 0.23 1.96 -1.07 0.00 0.00 179.97 181.29 2fua h GLN 9 N -0.11 0.42 -0.45 0.04 4.20 -1.44 0.40 115.11 118.17 2fua h GLN 9 Ca 0.01 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.77 2fua h GLN 9 Cb 0.16 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 2fua h GLN 9 CO -0.00 0.28 0.10 0.82 -0.67 0.00 0.00 178.83 179.36 2fua h ILE 10 N 0.43 0.77 -0.58 2.54 2.04 -1.32 -0.27 117.51 121.13 2fua h ILE 10 Ca 0.28 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2fua h ILE 10 Cb 0.30 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2fua h ILE 10 CO -0.26 0.04 0.12 0.40 0.00 0.00 0.00 178.15 178.46 2fua h ILE 11 N 0.24 1.25 0.00 -0.67 2.04 -0.60 -1.84 117.51 117.93 2fua h ILE 11 Ca 0.22 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2fua h ILE 11 Cb 0.27 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2fua h ILE 11 CO -0.28 0.34 -0.14 0.44 0.00 0.00 0.00 178.15 178.52 2fua h ASP 12 N 0.84 0.00 -0.27 1.72 5.19 0.43 -2.15 116.42 122.19 2fua h ASP 12 Ca 0.18 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.44 2fua h ASP 12 Cb 0.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2fua h ASP 12 CO 0.01 0.14 -0.42 0.74 -3.12 0.00 0.00 179.24 176.59 2fua h THR 13 N 0.00 1.30 -0.53 0.35 2.02 -0.28 -0.28 112.91 115.49 2fua h THR 13 Ca -0.00 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.58 2fua h THR 13 Cb 0.25 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2fua h THR 13 CO 0.02 0.52 0.34 0.00 0.37 0.00 0.00 175.52 176.76 2fua h LEU 15 N 0.68 -0.09 -1.13 0.00 4.07 -1.36 -2.10 115.31 115.38 2fua h LEU 15 Ca 0.20 -0.14 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 2fua h LEU 15 Cb -0.03 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2fua h LEU 15 CO -0.07 0.08 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.20 2fua h GLU 16 N -0.27 0.50 -0.48 1.13 4.57 -0.80 -0.61 114.58 118.61 2fua h GLU 16 Ca -0.01 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 2fua h GLU 16 Cb 0.23 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2fua h GLU 16 CO 0.02 0.60 0.02 1.98 -1.18 0.00 0.00 179.01 180.45 2fua h MET 17 N 0.47 0.79 -0.24 1.92 4.05 0.09 -1.54 114.93 120.47 2fua h MET 17 Ca 0.09 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.24 2fua h MET 17 Cb 0.45 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2fua h MET 17 CO 0.02 0.79 -0.09 1.15 0.23 0.00 0.00 176.91 179.01 2fua h THR 18 N 0.74 1.30 -0.86 -0.77 2.02 -0.98 -1.95 112.91 112.41 2fua h THR 18 Ca 0.15 -1.14 0.10 0.00 0.77 0.00 0.00 66.41 66.28 2fua h THR 18 Cb 0.43 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 2fua h THR 18 CO 0.02 0.35 0.56 -0.09 0.37 0.00 0.00 175.52 176.73 2fua h ARG 19 N 0.21 0.80 0.00 6.66 9.65 -0.44 -1.59 114.38 129.68 2fua h ARG 19 Ca 0.06 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2fua h ARG 19 Cb 0.58 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2fua h ARG 19 CO 0.03 0.53 0.00 1.28 2.80 0.00 0.00 179.97 184.61 2fua n LEU 20 N -4.52 0.34 0.00 3.80 4.77 -0.64 -4.94 117.00 115.80 2fua n LEU 20 Ca 0.15 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2fua n LEU 20 Cb 0.32 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2fua n LEU 20 CO 0.31 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2fua n GLY 21 N 1.42 0.67 0.09 -0.72 0.00 -0.60 -4.95 105.19 101.09 2fua n GLY 21 Ca 0.06 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.61 2fua n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fua n LEU 22 N 0.00 0.62 -3.67 0.99 4.77 -0.75 -4.53 117.00 114.44 2fua n LEU 22 Ca 0.00 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 2fua n LEU 22 Cb 0.00 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2fua n LEU 22 CO 0.00 -0.01 1.77 -3.20 -1.33 0.00 0.00 177.39 174.62 2fua n ASN 23 N -2.66 7.18 -4.86 -1.43 2.85 -1.18 -3.60 115.26 111.56 2fua n ASN 23 Ca -0.06 -3.40 -0.37 0.00 -0.11 0.00 0.00 54.58 50.64 2fua n ASN 23 Cb 0.68 -1.29 -0.06 0.00 1.24 0.00 0.00 39.78 40.35 2fua n ASN 23 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2fua s GLN 24 N -2.49 3.62 -0.46 1.20 -0.21 -1.26 -3.81 119.66 116.25 2fua s GLN 24 Ca 0.43 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.86 2fua s GLN 24 Cb 0.15 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.96 2fua s GLN 24 CO -0.06 0.74 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 2fua n GLY 25 N 1.96 0.70 3.69 3.09 0.00 -1.26 -3.89 105.19 109.48 2fua n GLY 25 Ca -0.18 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 2fua n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fua n THR 26 N -2.78 -0.93 0.56 2.61 -2.24 -1.25 -4.85 114.28 105.40 2fua n THR 26 Ca -0.04 -0.26 0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2fua n THR 26 Cb 0.19 -0.82 0.08 0.00 -2.10 0.00 0.00 70.33 67.67 2fua n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fua n ALA 27 N -2.85 2.45 -1.46 6.98 0.00 -1.25 -5.03 120.51 119.36 2fua n ALA 27 Ca -0.10 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 2fua n ALA 27 Cb 0.29 -0.53 0.11 0.00 0.00 0.00 0.00 19.45 19.33 2fua n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fua s GLY 28 N -1.27 1.61 -0.10 0.00 0.00 -1.26 -4.78 107.32 101.52 2fua s GLY 28 Ca 0.19 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 2fua s GLY 28 CO 0.20 0.23 0.38 0.54 0.00 0.00 0.00 173.10 174.44 2fua s ASN 29 N -3.81 -0.35 0.02 1.64 2.20 -0.87 -5.00 114.94 108.77 2fua s ASN 29 Ca 0.62 0.55 0.02 0.00 -0.94 0.00 0.00 52.86 53.11 2fua s ASN 29 Cb -0.15 0.63 -0.02 0.00 -2.00 0.00 0.00 41.25 39.71 2fua s ASN 29 CO 0.55 -0.26 -0.07 -0.69 -2.94 0.00 0.00 177.10 173.69 2fua s VAL 30 N -0.36 0.52 0.18 3.54 1.01 -1.26 -1.19 120.40 122.84 2fua s VAL 30 Ca -0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 2fua s VAL 30 Cb -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2fua s VAL 30 CO 0.02 -0.15 0.28 -0.94 0.00 0.00 0.00 175.10 174.32 2fua s SER 31 N -0.95 0.05 0.07 3.32 1.04 -0.60 -2.36 113.70 114.27 2fua s SER 31 Ca -0.04 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.42 2fua s SER 31 Cb -0.07 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2fua s SER 31 CO 0.00 -0.92 -0.05 0.68 0.98 0.00 0.00 173.24 173.92 2fua s VAL 32 N -4.01 0.50 0.10 5.02 -7.23 -0.65 -1.65 120.40 112.48 2fua s VAL 32 Ca 0.22 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 2fua s VAL 32 Cb 0.03 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.52 2fua s VAL 32 CO 0.04 -0.82 0.97 -0.60 -0.31 0.00 0.00 175.10 174.38 2fua s ARG 33 N -3.40 4.67 -0.17 4.82 3.52 0.35 -2.05 118.95 126.70 2fua s ARG 33 Ca 0.06 1.46 -0.08 0.00 -0.13 0.00 0.00 55.73 57.04 2fua s ARG 33 Cb 0.03 -3.38 0.06 0.00 -1.56 0.00 0.00 34.95 30.10 2fua s ARG 33 CO -0.05 0.17 0.39 -0.47 -0.81 0.00 0.00 175.30 174.53 2fua s TYR 34 N 0.12 -0.60 0.00 5.12 5.04 -0.71 -4.86 117.35 121.47 2fua s TYR 34 Ca 0.48 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2fua s TYR 34 Cb -0.23 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.31 2fua s TYR 34 CO 0.30 -0.36 0.00 1.04 -1.34 0.00 0.00 175.55 175.19 2fua n GLN 35 N 4.49 0.00 -0.64 4.97 1.13 -1.26 -0.37 117.38 125.71 2fua n GLN 35 Ca -0.20 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 54.94 2fua n GLN 35 Cb 0.54 0.00 0.34 0.00 0.11 0.00 0.00 30.24 31.23 2fua n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2fua n ASP 36 N 5.51 4.78 0.00 1.08 5.75 -1.26 -4.93 116.55 127.48 2fua n ASP 36 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 2fua n ASP 36 Cb 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2fua n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fua n GLY 37 N 0.70 2.92 3.55 6.12 0.00 0.50 -1.36 105.19 117.62 2fua n GLY 37 Ca 0.25 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 2fua n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2fua s MET 38 N 3.27 1.43 -0.14 1.61 0.23 -0.19 -1.74 119.30 123.77 2fua s MET 38 Ca 0.00 -0.71 -0.04 0.00 -1.03 0.00 0.00 55.69 53.91 2fua s MET 38 Cb 0.00 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.84 2fua s MET 38 CO 0.00 -0.63 0.01 -0.51 -2.03 0.00 0.00 175.02 171.86 2fua s LEU 39 N -2.83 3.54 0.09 0.18 1.43 -0.87 -0.95 118.68 119.28 2fua s LEU 39 Ca 0.06 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2fua s LEU 39 Cb -0.02 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2fua s LEU 39 CO -0.05 0.25 0.05 -0.51 0.23 0.00 0.00 176.35 176.31 2fua s ILE 40 N -0.08 0.16 0.59 -0.59 2.07 0.00 -1.63 121.20 121.72 2fua s ILE 40 Ca 0.04 -1.76 -0.17 0.00 -1.41 0.00 0.00 60.65 57.35 2fua s ILE 40 Cb -0.13 -1.73 -0.04 0.00 0.13 0.00 0.00 42.46 40.70 2fua s ILE 40 CO 0.02 -0.71 1.10 0.42 -1.91 0.00 0.00 174.94 173.86 2fua s THR 41 N -3.97 3.35 0.65 4.00 -4.23 -0.99 -1.57 115.64 112.87 2fua s THR 41 Ca 0.14 0.73 -0.07 0.00 -1.18 0.00 0.00 61.69 61.31 2fua s THR 41 Cb 0.07 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.69 2fua s THR 41 CO -0.05 -0.29 0.97 -2.16 -0.54 0.00 0.00 174.62 172.55 2fua s PRO 42 N -3.70 2.68 0.46 3.99 0.04 -1.26 -1.42 135.00 135.79 2fua s PRO 42 Ca 0.69 0.00 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 2fua s PRO 42 Cb -0.21 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2fua s PRO 42 CO 0.33 -0.93 0.74 -0.08 0.04 0.00 0.00 177.00 177.10 2fua s THR 43 N -3.14 4.82 -1.36 1.26 -1.32 -0.45 -4.35 115.64 111.10 2fua s THR 43 Ca 0.57 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 2fua s THR 43 Cb -0.11 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 2fua s THR 43 CO 0.46 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 2fua n GLY 44 N -2.18 0.79 2.69 6.08 0.00 -1.26 -4.90 105.19 106.40 2fua n GLY 44 Ca -0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2fua n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fua s ILE 45 N -2.59 -0.14 0.29 -0.61 1.01 -1.26 -5.12 121.20 112.78 2fua s ILE 45 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 2fua s ILE 45 Cb 0.00 -0.29 -0.11 0.00 0.01 0.00 0.00 42.46 42.07 2fua s ILE 45 CO 0.00 0.05 1.51 -2.16 0.00 0.00 0.00 174.94 174.34 2fua s PRO 46 N 2.19 4.19 0.35 2.79 0.04 -1.26 -4.90 135.00 138.40 2fua s PRO 46 Ca 0.04 2.46 0.20 0.00 0.04 0.00 0.00 61.00 63.74 2fua s PRO 46 Cb -0.13 -3.05 1.28 0.00 0.04 0.00 0.00 34.50 32.64 2fua s PRO 46 CO -0.05 -0.52 1.52 2.48 0.04 0.00 0.00 177.00 180.46 2fua n TYR 47 N 1.98 1.11 0.92 0.56 4.11 -1.26 -0.79 117.16 123.79 2fua n TYR 47 Ca 0.06 1.13 0.11 0.00 -0.00 0.00 0.00 57.90 59.20 2fua n TYR 47 Cb 0.39 -1.53 0.52 0.00 -0.00 0.00 0.00 39.34 38.71 2fua n TYR 47 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2fua n GLU 48 N -5.18 0.20 -0.02 -3.48 0.00 -1.26 -1.81 120.64 109.08 2fua n GLU 48 Ca 0.36 0.10 0.11 0.00 0.00 0.00 0.00 57.16 57.73 2fua n GLU 48 Cb 1.23 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 31.27 2fua n GLU 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2fua n LYS 49 N -1.37 2.18 -2.34 3.44 4.76 0.03 -4.99 118.16 119.87 2fua n LYS 49 Ca 0.08 -1.90 -0.42 0.00 -2.87 0.00 0.00 58.31 53.21 2fua n LYS 49 Cb 0.20 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 2fua n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fua s LEU 50 N -1.83 4.41 0.19 -0.35 1.43 -0.75 -5.02 118.68 116.77 2fua s LEU 50 Ca 0.28 2.20 0.08 0.00 -1.03 0.00 0.00 54.13 55.66 2fua s LEU 50 Cb 0.19 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2fua s LEU 50 CO 0.29 -0.47 -0.16 0.42 0.23 0.00 0.00 176.35 176.66 2fua s THR 51 N 0.50 1.77 0.55 5.49 -4.23 -1.26 -5.03 115.64 113.43 2fua s THR 51 Ca 0.57 -2.12 0.30 0.00 -1.18 0.00 0.00 61.69 59.26 2fua s THR 51 Cb -0.33 -1.98 0.45 0.00 1.34 0.00 0.00 72.50 71.98 2fua s THR 51 CO 0.33 -0.50 1.90 -0.33 -0.54 0.00 0.00 174.62 175.48 2fua h GLU 52 N 2.77 0.00 0.00 3.99 3.07 -1.95 0.20 114.58 122.66 2fua h GLU 52 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2fua h GLU 52 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2fua h GLU 52 CO 0.58 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.62 2fua n SER 53 N -4.12 0.57 0.16 1.42 7.64 -1.26 -2.74 113.62 115.30 2fua n SER 53 Ca 0.15 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.76 2fua n SER 53 Cb 0.85 -0.74 0.16 0.00 -1.01 0.00 0.00 64.21 63.46 2fua n SER 53 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2fua h HIS 54 N 0.00 0.00 -3.06 1.43 3.86 -1.36 -3.46 115.15 112.57 2fua h HIS 54 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2fua h HIS 54 Cb 0.46 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.97 2fua h HIS 54 CO 0.00 0.00 0.79 0.42 0.86 0.00 0.00 177.93 180.00 2fua s ILE 55 N -3.23 2.87 -0.13 2.45 -1.09 -1.11 -4.27 121.20 116.70 2fua s ILE 55 Ca 0.05 0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 59.09 2fua s ILE 55 Cb 0.08 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2fua s ILE 55 CO 0.70 0.07 0.03 -0.69 -1.23 0.00 0.00 174.94 173.81 2fua s VAL 56 N 0.77 4.52 -0.12 2.92 1.01 -0.61 -4.92 120.40 123.96 2fua s VAL 56 Ca 0.65 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2fua s VAL 56 Cb -0.41 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2fua s VAL 56 CO 0.34 0.55 0.27 0.12 0.00 0.00 0.00 175.10 176.39 2fua s PHE 57 N -0.36 3.54 -0.12 5.22 5.36 -1.26 -0.82 117.98 129.55 2fua s PHE 57 Ca 0.08 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 56.70 2fua s PHE 57 Cb -0.12 -2.23 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2fua s PHE 57 CO 0.02 0.43 -0.12 0.42 -1.46 0.00 0.00 175.22 174.51 2fua s ILE 58 N -0.17 1.30 0.77 3.12 1.01 -0.12 -1.60 121.20 125.51 2fua s ILE 58 Ca 0.17 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 2fua s ILE 58 Cb -0.13 -1.24 0.19 0.00 0.01 0.00 0.00 42.46 41.28 2fua s ILE 58 CO 0.05 0.41 0.83 -0.90 0.00 0.00 0.00 174.94 175.34 2fua n ASP 59 N 4.60 -0.91 0.06 3.58 5.68 -0.68 -1.02 116.55 127.86 2fua n ASP 59 Ca -0.16 -1.13 0.09 0.00 -0.50 0.00 0.00 54.79 53.09 2fua n ASP 59 Cb 0.50 -0.70 0.40 0.00 -1.14 0.00 0.00 41.12 40.19 2fua n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fua n GLY 60 N -1.84 -1.15 0.30 6.12 0.00 -0.47 -2.89 105.19 105.26 2fua n GLY 60 Ca 0.11 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2fua n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2fua n ASN 61 N -1.87 1.22 0.00 1.61 3.02 -1.26 -4.94 115.26 113.04 2fua n ASN 61 Ca 0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2fua n ASN 61 Cb 0.20 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2fua n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fua n GLY 62 N 1.35 0.80 3.69 7.41 0.00 -1.14 -5.06 105.19 112.24 2fua n GLY 62 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2fua n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fua s LYS 63 N -0.61 4.22 0.36 1.61 2.20 -1.26 -4.91 119.74 121.35 2fua s LYS 63 Ca 0.00 0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.88 2fua s LYS 63 Cb 0.00 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2fua s LYS 63 CO 0.00 0.07 0.40 -3.38 -0.36 0.00 0.00 175.35 172.08 2fua s HIS 64 N 0.96 2.91 0.29 4.03 -3.43 -1.26 -1.68 115.29 117.11 2fua s HIS 64 Ca 0.19 -0.33 -0.30 0.00 -0.80 0.00 0.00 55.06 53.82 2fua s HIS 64 Cb -0.14 -2.01 -0.13 0.00 -1.43 0.00 0.00 32.58 28.87 2fua s HIS 64 CO 0.07 -0.02 1.39 0.39 -2.00 0.00 0.00 174.74 174.58 2fua n GLU 65 N -1.55 2.20 -1.94 -0.38 1.02 -0.63 -4.91 120.64 114.45 2fua n GLU 65 Ca 0.01 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 2fua n GLU 65 Cb 0.60 -2.43 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 2fua n GLU 65 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2fua s GLU 66 N -1.05 4.22 0.00 3.49 -6.30 -1.26 -2.48 118.70 115.33 2fua s GLU 66 Ca 0.62 2.40 0.00 0.00 -2.50 0.00 0.00 54.97 55.50 2fua s GLU 66 Cb -0.59 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.51 2fua s GLU 66 CO 0.55 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.83 2fua n GLY 67 N 1.04 0.81 3.07 -1.50 0.00 -1.26 -5.01 105.19 102.34 2fua n GLY 67 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2fua n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fua s LYS 68 N -0.04 1.47 -0.29 1.61 1.02 -1.03 -5.12 119.74 117.36 2fua s LYS 68 Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 55.97 55.43 2fua s LYS 68 Cb 0.00 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.99 2fua s LYS 68 CO 0.00 0.16 0.15 -0.51 -0.92 0.00 0.00 175.35 174.23 2fua s LEU 69 N 0.20 3.98 0.76 3.17 2.01 -1.26 -4.69 118.68 122.85 2fua s LEU 69 Ca -0.05 -0.30 -0.12 0.00 0.01 0.00 0.00 54.13 53.67 2fua s LEU 69 Cb -0.11 -2.03 0.05 0.00 0.01 0.00 0.00 46.19 44.11 2fua s LEU 69 CO 0.02 -0.12 1.13 -2.16 1.01 0.00 0.00 176.35 176.22 2fua s PRO 70 N 1.66 2.37 0.35 1.29 0.04 -1.26 -1.34 135.00 138.12 2fua s PRO 70 Ca 0.06 0.37 -0.24 0.00 0.04 0.00 0.00 61.00 61.22 2fua s PRO 70 Cb -0.16 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 2fua s PRO 70 CO 0.07 -1.36 0.59 0.45 0.04 0.00 0.00 177.00 176.79 2fua n SER 71 N -3.21 -0.69 0.15 6.66 2.88 -0.51 -3.54 113.62 115.35 2fua n SER 71 Ca 0.07 1.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 2fua n SER 71 Cb 0.58 -1.10 0.54 0.00 -0.75 0.00 0.00 64.21 63.48 2fua n SER 71 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2fua n SER 72 N 1.50 0.64 -1.30 -3.46 3.41 -1.26 -2.10 113.62 111.05 2fua n SER 72 Ca 0.12 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 2fua n SER 72 Cb 0.35 -0.83 0.32 0.00 -0.26 0.00 0.00 64.21 63.79 2fua n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fua n GLU 73 N -2.26 3.70 -0.20 4.33 1.02 -1.26 -4.45 120.64 121.52 2fua n GLU 73 Ca 0.01 -2.92 0.08 0.00 -0.02 0.00 0.00 57.16 54.30 2fua n GLU 73 Cb 0.15 -1.97 0.36 0.00 -0.02 0.00 0.00 31.44 29.96 2fua n GLU 73 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 2fua h TRP 74 N 2.79 0.77 -0.94 -0.32 5.08 -1.77 -3.05 115.95 118.51 2fua h TRP 74 Ca 0.00 0.02 0.21 0.00 1.08 0.00 0.00 58.89 60.20 2fua h TRP 74 Cb 1.60 -0.25 -0.12 0.00 -3.00 0.00 0.00 29.16 27.39 2fua h TRP 74 CO 0.72 0.38 0.49 0.00 -1.28 0.00 0.00 178.44 178.75 2fua h ARG 75 N 0.73 0.52 0.00 0.12 3.08 -1.86 0.72 114.38 117.69 2fua h ARG 75 Ca 0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2fua h ARG 75 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2fua h ARG 75 CO -0.12 0.35 0.00 1.97 -1.07 0.00 0.00 179.97 181.09 2fua n PHE 76 N -4.93 0.82 -0.02 3.04 1.16 -1.15 -2.00 117.46 114.37 2fua n PHE 76 Ca 0.23 0.24 -0.12 0.00 -1.87 0.00 0.00 57.45 55.93 2fua n PHE 76 Cb 0.64 -0.89 0.01 0.00 -1.61 0.00 0.00 39.48 37.63 2fua n PHE 76 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2fua h HIS 77 N 0.00 0.87 -0.16 2.97 3.86 -1.00 0.38 115.15 122.07 2fua h HIS 77 Ca 0.00 -0.32 -0.16 0.00 -1.16 0.00 0.00 60.37 58.73 2fua h HIS 77 Cb 0.71 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2fua h HIS 77 CO 0.00 1.11 -0.57 1.98 0.86 0.00 0.00 177.93 181.31 2fua h MET 78 N 0.52 0.50 -0.49 2.45 1.85 -1.15 -2.64 114.93 115.96 2fua h MET 78 Ca 0.00 -0.32 -0.09 0.00 -0.61 0.00 0.00 59.70 58.68 2fua h MET 78 Cb 1.17 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 2fua h MET 78 CO 0.12 0.93 -0.05 0.00 -0.40 0.00 0.00 176.91 177.51 2fua h ALA 79 N 1.01 0.67 -0.35 0.39 0.00 -1.20 -2.22 119.26 117.55 2fua h ALA 79 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2fua h ALA 79 Cb 1.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2fua h ALA 79 CO 0.10 0.52 0.21 0.00 0.00 0.00 0.00 179.25 180.08 2fua h ALA 80 N 0.91 0.44 -0.47 0.00 0.00 -0.83 -0.04 119.26 119.28 2fua h ALA 80 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2fua h ALA 80 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2fua h ALA 80 CO 0.03 -0.14 0.17 1.88 0.00 0.00 0.00 179.25 181.19 2fua h TYR 81 N 0.42 0.68 0.00 0.00 0.05 -1.31 -0.17 116.97 116.64 2fua h TYR 81 Ca 0.14 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2fua h TYR 81 Cb -0.00 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 2fua h TYR 81 CO -0.07 0.55 -0.28 1.96 -1.05 0.00 0.00 178.16 179.26 2fua h GLN 82 N 0.67 0.00 0.13 4.88 4.20 -1.06 -3.33 115.11 120.60 2fua h GLN 82 Ca 0.16 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.57 2fua h GLN 82 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2fua h GLN 82 CO -0.01 0.12 -1.51 1.03 -0.67 0.00 0.00 178.83 177.79 2fua h SER 83 N 0.00 0.43 -3.90 1.46 0.87 -0.58 -3.42 113.55 108.41 2fua h SER 83 Ca -0.01 -0.88 -0.67 0.00 -1.23 0.00 0.00 61.79 59.01 2fua h SER 83 Cb 1.11 -0.14 -0.38 0.00 -0.44 0.00 0.00 62.40 62.54 2fua h SER 83 CO 0.02 1.67 -0.59 -0.13 -0.53 0.00 0.00 176.83 177.26 2fua s ARG 84 N -2.50 1.93 0.41 2.24 0.52 -0.11 -4.93 118.95 116.50 2fua s ARG 84 Ca -0.19 -2.18 0.12 0.00 -0.52 0.00 0.00 55.73 52.96 2fua s ARG 84 Cb 0.05 -3.42 0.95 0.00 0.52 0.00 0.00 34.95 33.04 2fua s ARG 84 CO 0.78 -1.06 1.94 -1.35 0.02 0.00 0.00 175.30 175.63 2fua h PRO 85 N 7.32 0.50 0.00 3.54 0.11 -1.82 -0.75 132.00 140.90 2fua h PRO 85 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2fua h PRO 85 Cb 0.98 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2fua h PRO 85 CO 0.64 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 2fua n ASP 86 N -4.49 0.03 -4.69 -2.05 5.75 -1.26 -4.77 116.55 105.07 2fua n ASP 86 Ca 0.13 0.51 -0.42 0.00 -0.01 0.00 0.00 54.79 54.99 2fua n ASP 86 Cb 0.41 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 2fua n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2fua s ALA 87 N -3.01 3.43 -0.27 2.12 0.00 -0.29 -4.50 121.76 119.23 2fua s ALA 87 Ca 0.09 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.73 2fua s ALA 87 Cb 0.12 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2fua s ALA 87 CO 0.35 -0.62 0.25 0.09 0.00 0.00 0.00 175.76 175.84 2fua n ASN 88 N 4.79 0.50 -3.74 0.00 3.02 -0.03 -4.82 115.26 114.97 2fua n ASN 88 Ca 0.10 -0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 53.91 2fua n ASN 88 Cb 0.47 1.02 -0.09 0.00 -0.61 0.00 0.00 39.78 40.57 2fua n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fua s ALA 89 N -1.63 -0.89 -0.02 5.41 0.00 -0.97 -0.50 121.76 123.17 2fua s ALA 89 Ca 0.02 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2fua s ALA 89 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2fua s ALA 89 CO 0.25 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.77 2fua s VAL 90 N -0.78 0.75 -0.10 0.00 1.01 -0.66 -2.42 120.40 118.20 2fua s VAL 90 Ca -0.09 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2fua s VAL 90 Cb -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2fua s VAL 90 CO 0.03 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.53 2fua s VAL 91 N -0.01 1.35 0.01 2.92 1.01 -0.38 -1.56 120.40 123.75 2fua s VAL 91 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2fua s VAL 91 Cb -0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2fua s VAL 91 CO 0.00 0.41 -0.19 -2.28 0.00 0.00 0.00 175.10 173.05 2fua s HIS 92 N 0.98 1.65 0.32 5.22 5.04 -0.34 -1.45 115.29 126.71 2fua s HIS 92 Ca -0.07 -0.33 -0.14 0.00 -1.54 0.00 0.00 55.06 52.97 2fua s HIS 92 Cb -0.15 -1.02 0.02 0.00 0.04 0.00 0.00 32.58 31.47 2fua s HIS 92 CO -0.01 0.02 0.65 0.54 -2.34 0.00 0.00 174.74 173.60 2fua s ASN 93 N -0.76 0.07 -0.37 9.88 2.20 -0.80 -2.05 114.94 123.10 2fua s ASN 93 Ca 0.07 -1.01 0.06 0.00 -0.94 0.00 0.00 52.86 51.03 2fua s ASN 93 Cb -0.08 0.73 0.45 0.00 -2.00 0.00 0.00 41.25 40.35 2fua s ASN 93 CO 0.00 -1.41 1.28 1.41 -2.94 0.00 0.00 177.10 175.44 2fua n HIS 94 N -0.48 2.93 -1.59 1.54 8.25 -1.26 -1.26 115.22 123.34 2fua n HIS 94 Ca -0.04 -2.47 -0.47 0.00 -0.26 0.00 0.00 57.72 54.48 2fua n HIS 94 Cb 0.60 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 2fua n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2fua n ALA 95 N -0.68 -0.41 0.02 -1.41 0.00 -1.24 -4.77 120.51 112.03 2fua n ALA 95 Ca 0.45 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 2fua n ALA 95 Cb 0.86 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2fua n ALA 95 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2fua h VAL 96 N 2.45 0.44 -0.34 0.00 3.04 -1.87 -1.53 116.25 118.43 2fua h VAL 96 Ca -0.42 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.24 2fua h VAL 96 Cb 1.34 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2fua h VAL 96 CO 0.67 0.00 0.10 0.45 -1.01 0.00 0.00 177.57 177.78 2fua h HIS 97 N -0.32 0.56 -0.37 3.17 3.86 -1.91 -0.56 115.15 119.58 2fua h HIS 97 Ca 0.09 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2fua h HIS 97 Cb 0.45 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 2fua h HIS 97 CO -0.32 0.55 0.15 0.00 0.86 0.00 0.00 177.93 179.18 2fua h THR 99 N 0.32 1.10 -0.61 0.00 2.02 -0.92 -1.24 112.91 113.58 2fua h THR 99 Ca 0.16 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2fua h THR 99 Cb 0.11 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2fua h THR 99 CO -0.15 0.13 0.38 0.00 0.37 0.00 0.00 175.52 176.25 2fua h ALA 100 N 1.22 0.79 -0.73 6.16 0.00 -0.86 0.17 119.26 126.01 2fua h ALA 100 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2fua h ALA 100 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2fua h ALA 100 CO -0.07 0.14 0.39 0.28 0.00 0.00 0.00 179.25 179.99 2fua h VAL 101 N 0.76 1.23 0.00 0.00 2.07 -1.21 -2.24 116.25 116.85 2fua h VAL 101 Ca 0.24 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2fua h VAL 101 Cb -0.01 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2fua h VAL 101 CO -0.09 0.25 -0.13 0.77 0.02 0.00 0.00 177.57 178.39 2fua h SER 102 N 1.01 0.00 0.71 0.57 4.64 -0.14 -1.06 113.55 119.28 2fua h SER 102 Ca 0.26 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2fua h SER 102 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2fua h SER 102 CO -0.04 0.13 -0.60 0.40 -0.87 0.00 0.00 176.83 175.85 2fua h ILE 103 N 0.00 1.35 -0.00 0.95 2.04 -0.11 -2.37 117.51 119.37 2fua h ILE 103 Ca -0.00 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.75 2fua h ILE 103 Cb 0.34 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2fua h ILE 103 CO 0.02 0.59 -0.18 0.18 0.00 0.00 0.00 178.15 178.75 2fua n LEU 104 N -3.70 0.27 -3.75 1.44 4.77 -0.49 -4.85 117.00 110.69 2fua n LEU 104 Ca -0.01 0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 2fua n LEU 104 Cb 0.62 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2fua n LEU 104 CO 0.41 0.06 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.22 2fua n ASN 105 N -1.35 -3.70 -4.32 -1.43 5.15 -0.69 -4.99 115.26 103.93 2fua n ASN 105 Ca 0.09 -1.00 -0.24 0.00 -0.60 0.00 0.00 54.58 52.83 2fua n ASN 105 Cb 0.32 -3.35 -0.12 0.00 -0.53 0.00 0.00 39.78 36.10 2fua n ASN 105 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fua s ARG 106 N -6.13 1.21 0.50 1.20 0.52 -1.19 -5.03 118.95 110.04 2fua s ARG 106 Ca 0.32 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 2fua s ARG 106 Cb -0.11 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.89 2fua s ARG 106 CO 0.86 0.32 0.79 -1.54 0.02 0.00 0.00 175.30 175.76 2fua s SER 107 N -2.16 5.99 -0.31 0.23 1.04 -1.26 -4.58 113.70 112.65 2fua s SER 107 Ca 0.10 0.74 -0.16 0.00 0.48 0.00 0.00 55.95 57.11 2fua s SER 107 Cb -0.09 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 2fua s SER 107 CO 0.05 -0.74 0.42 -0.63 0.98 0.00 0.00 173.24 173.33 2fua s ILE 108 N -2.77 5.12 0.91 -1.02 1.01 0.20 -4.94 121.20 119.72 2fua s ILE 108 Ca 0.49 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 61.44 2fua s ILE 108 Cb -0.10 -3.81 0.19 0.00 0.01 0.00 0.00 42.46 38.75 2fua s ILE 108 CO 0.43 -0.00 1.25 -2.16 0.00 0.00 0.00 174.94 174.47 2fua s PRO 109 N 2.17 0.81 -1.13 2.79 0.04 -1.26 -1.90 135.00 136.52 2fua s PRO 109 Ca 0.16 -0.62 -0.20 0.00 0.04 0.00 0.00 61.00 60.38 2fua s PRO 109 Cb -0.16 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2fua s PRO 109 CO 0.11 -2.23 1.95 0.00 0.04 0.00 0.00 177.00 176.87 2fua n ALA 110 N -3.57 3.40 0.99 8.56 0.00 -1.20 -4.60 120.51 124.09 2fua n ALA 110 Ca 0.16 -3.46 0.12 0.00 0.00 0.00 0.00 53.44 50.25 2fua n ALA 110 Cb 0.60 -3.57 0.18 0.00 0.00 0.00 0.00 19.45 16.65 2fua n ALA 110 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2fua n ILE 111 N 6.40 0.01 -3.76 0.00 -5.35 -1.26 -0.63 119.36 114.77 2fua n ILE 111 Ca 0.49 -0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.83 2fua n ILE 111 Cb 0.43 0.39 -0.09 0.00 -1.74 0.00 0.00 39.64 38.63 2fua n ILE 111 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fua s HIS 112 N -3.00 -0.22 0.19 4.28 5.04 -1.26 -4.88 115.29 115.44 2fua s HIS 112 Ca 0.10 0.39 0.35 0.00 -1.54 0.00 0.00 55.06 54.36 2fua s HIS 112 Cb 0.17 0.11 1.52 0.00 0.04 0.00 0.00 32.58 34.42 2fua s HIS 112 CO 0.73 -0.36 2.04 0.10 -2.34 0.00 0.00 174.74 174.92 2fua h TYR 113 N 4.14 0.00 0.00 3.88 -0.00 -2.00 -2.73 116.97 120.27 2fua h TYR 113 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.44 2fua h TYR 113 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 2fua h TYR 113 CO 0.50 0.01 0.00 -1.33 -0.00 0.00 0.00 178.16 177.34 2fua n MET 114 N -3.11 0.07 0.29 0.10 2.81 -1.26 -2.39 117.12 113.64 2fua n MET 114 Ca -0.00 0.20 0.20 0.00 -1.81 0.00 0.00 57.70 56.29 2fua n MET 114 Cb 0.27 -1.50 1.03 0.00 -0.71 0.00 0.00 33.22 32.31 2fua n MET 114 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2fua h ILE 115 N 0.00 0.00 0.00 2.02 2.10 -1.82 -1.37 117.51 118.43 2fua h ILE 115 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2fua h ILE 115 Cb 0.23 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2fua h ILE 115 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2fua h ALA 116 N 2.01 1.00 0.00 0.18 0.00 -1.57 -2.96 119.26 117.91 2fua h ALA 116 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2fua h ALA 116 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fua h ALA 116 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.19 2fua h ALA 117 N 2.16 1.47 -0.01 0.00 0.00 -1.50 -1.33 119.26 120.05 2fua h ALA 117 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fua h ALA 117 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fua h ALA 117 CO 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.25 2fua n ALA 118 N -2.34 2.74 0.00 0.00 0.00 -1.12 -4.93 120.51 114.86 2fua n ALA 118 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2fua n ALA 118 Cb 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2fua n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fua n GLY 119 N 1.22 0.74 0.00 0.00 0.00 -0.50 -1.56 105.19 105.09 2fua n GLY 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2fua n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fua n GLY 120 N -1.02 3.05 1.48 -0.02 0.00 -1.26 -4.94 105.19 102.47 2fua n GLY 120 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.73 2fua n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fua n ASN 121 N 0.00 4.57 -3.64 1.61 6.94 -1.26 -3.83 115.26 119.65 2fua n ASN 121 Ca 0.00 -3.10 -0.05 0.00 -0.02 0.00 0.00 54.58 51.41 2fua n ASN 121 Cb 0.00 -0.64 -0.02 0.00 -2.36 0.00 0.00 39.78 36.76 2fua n ASN 121 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2fua s SER 122 N -1.43 -0.23 -0.27 0.53 1.04 -1.26 -3.27 113.70 108.81 2fua s SER 122 Ca 0.49 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.74 2fua s SER 122 Cb 0.39 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.96 2fua s SER 122 CO 0.11 -0.69 -0.10 -0.63 0.98 0.00 0.00 173.24 172.92 2fua s ILE 123 N -3.07 2.28 0.94 -1.02 -1.09 -0.80 -4.88 121.20 113.56 2fua s ILE 123 Ca 0.10 -1.60 -0.12 0.00 -2.23 0.00 0.00 60.65 56.79 2fua s ILE 123 Cb -0.00 -2.34 0.16 0.00 -1.58 0.00 0.00 42.46 38.70 2fua s ILE 123 CO -0.03 -0.04 1.13 -2.16 -1.23 0.00 0.00 174.94 172.61 2fua s PRO 124 N 1.12 0.89 -0.15 2.79 0.04 -1.26 -0.63 135.00 137.80 2fua s PRO 124 Ca -0.08 0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.27 2fua s PRO 124 Cb -0.20 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2fua s PRO 124 CO -0.04 -2.38 -0.06 0.00 0.04 0.00 0.00 177.00 174.56 2fua s ALA 126 N 1.66 3.44 0.75 0.00 0.00 -0.40 -4.89 121.76 122.32 2fua s ALA 126 Ca 0.02 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2fua s ALA 126 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2fua s ALA 126 CO -0.08 0.23 0.83 -2.30 0.00 0.00 0.00 175.76 174.45 2fua n PRO 127 N 1.97 0.36 -2.48 0.00 -0.02 -1.26 -1.16 135.00 132.40 2fua n PRO 127 Ca -0.05 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 2fua n PRO 127 Cb 0.49 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2fua n PRO 127 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2fua s TYR 128 N -1.92 3.33 -0.00 6.00 6.14 -1.26 -4.61 117.35 125.02 2fua s TYR 128 Ca 0.70 1.65 -0.25 0.00 0.64 0.00 0.00 57.07 59.81 2fua s TYR 128 Cb -0.33 -3.22 0.06 0.00 0.42 0.00 0.00 41.96 38.89 2fua s TYR 128 CO 0.54 -0.71 0.56 0.00 0.64 0.00 0.00 175.55 176.57 2fua s ALA 129 N -1.46 -1.45 0.29 3.97 0.00 -1.26 -5.00 121.76 116.84 2fua s ALA 129 Ca 0.54 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 2fua s ALA 129 Cb -0.26 0.18 -0.13 0.00 0.00 0.00 0.00 23.12 22.90 2fua s ALA 129 CO 0.33 -0.41 1.26 2.41 0.00 0.00 0.00 175.76 179.36 2fua n THR 130 N 0.75 1.57 -1.72 0.00 -1.04 -1.26 -4.82 114.28 107.76 2fua n THR 130 Ca -0.19 -0.39 -0.37 0.00 -2.04 0.00 0.00 64.05 61.05 2fua n THR 130 Cb 0.58 -1.37 0.06 0.00 -1.82 0.00 0.00 70.33 67.78 2fua n THR 130 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2fua n PHE 131 N 0.92 1.89 -0.93 -1.42 -1.74 -1.26 -2.75 117.46 112.18 2fua n PHE 131 Ca 0.09 0.43 0.00 0.00 -0.56 0.00 0.00 57.45 57.40 2fua n PHE 131 Cb 0.33 -2.28 0.00 0.00 1.52 0.00 0.00 39.48 39.05 2fua n PHE 131 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2fua n GLY 132 N 0.93 0.63 3.96 4.97 0.00 -1.26 -5.01 105.19 109.41 2fua n GLY 132 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2fua n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fua s THR 133 N -2.76 5.22 0.34 2.61 -4.23 -1.11 -4.94 115.64 110.76 2fua s THR 133 Ca 0.00 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.83 2fua s THR 133 Cb 0.00 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 70.07 2fua s THR 133 CO 0.00 -0.37 1.78 -0.09 -0.54 0.00 0.00 174.62 175.40 2fua h ARG 134 N 1.16 0.09 -0.47 3.99 9.65 -1.95 -2.07 114.38 124.79 2fua h ARG 134 Ca -0.51 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.24 2fua h ARG 134 Cb 1.22 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 2fua h ARG 134 CO 0.62 0.46 -0.09 1.49 2.80 0.00 0.00 179.97 185.25 2fua h GLU 135 N 0.08 0.84 -0.27 0.20 4.81 -1.94 -1.43 114.58 116.88 2fua h GLU 135 Ca 0.01 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2fua h GLU 135 Cb 0.71 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2fua h GLU 135 CO 0.05 0.90 0.07 1.25 -0.73 0.00 0.00 179.01 180.56 2fua h LEU 136 N 0.76 0.41 -0.99 1.64 6.46 -1.70 -2.59 115.31 119.31 2fua h LEU 136 Ca 0.13 -0.22 0.18 0.00 -0.12 0.00 0.00 57.88 57.84 2fua h LEU 136 Cb 0.59 -0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.31 2fua h LEU 136 CO 0.04 0.52 0.60 0.28 -0.62 0.00 0.00 178.44 179.26 2fua h SER 137 N 0.27 0.78 -0.09 1.25 0.02 -0.95 -1.80 113.55 113.03 2fua h SER 137 Ca 0.09 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2fua h SER 137 Cb 0.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2fua h SER 137 CO -0.00 0.30 0.02 -0.33 -1.14 0.00 0.00 176.83 175.68 2fua h GLU 138 N 0.78 0.15 -0.88 3.45 5.08 -0.90 -1.40 114.58 120.86 2fua h GLU 138 Ca 0.56 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.93 2fua h GLU 138 Cb 0.83 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2fua h GLU 138 CO -0.37 0.34 0.57 0.45 -1.00 0.00 0.00 179.01 179.01 2fua h HIS 139 N -0.06 1.03 -0.06 4.33 3.86 -1.10 -1.74 115.15 121.41 2fua h HIS 139 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2fua h HIS 139 Cb 0.26 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2fua h HIS 139 CO 0.01 0.57 -0.01 0.28 0.86 0.00 0.00 177.93 179.64 2fua h VAL 140 N 1.04 1.28 -0.97 2.45 2.07 -1.12 -2.48 116.25 118.52 2fua h VAL 140 Ca 0.36 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.06 2fua h VAL 140 Cb 0.11 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2fua h VAL 140 CO -0.12 0.24 0.63 0.00 0.02 0.00 0.00 177.57 178.34 2fua h ALA 141 N 0.68 1.33 -0.26 1.67 0.00 -1.00 -0.73 119.26 120.95 2fua h ALA 141 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2fua h ALA 141 Cb 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2fua h ALA 141 CO 0.01 0.43 -0.36 1.25 0.00 0.00 0.00 179.25 180.58 2fua h LEU 142 N 1.16 0.60 -0.43 0.00 5.85 -1.31 -2.91 115.31 118.26 2fua h LEU 142 Ca 0.41 -0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 2fua h LEU 142 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2fua h LEU 142 CO -0.16 0.91 -0.78 0.00 -0.34 0.00 0.00 178.44 178.06 2fua h ALA 143 N 1.13 0.70 -0.00 1.25 0.00 -0.79 -3.19 119.26 118.35 2fua h ALA 143 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2fua h ALA 143 Cb 0.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2fua h ALA 143 CO 0.07 0.95 -0.09 1.28 0.00 0.00 0.00 179.25 181.46 2fua n LEU 144 N -3.64 0.35 -0.33 0.00 4.77 -0.38 -3.96 117.00 113.81 2fua n LEU 144 Ca -0.01 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2fua n LEU 144 Cb 0.75 -0.21 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 2fua n LEU 144 CO 0.45 0.07 1.19 0.11 -1.33 0.00 0.00 177.39 177.87 2fua h LYS 145 N 0.41 0.89 0.00 3.23 1.57 -1.50 -3.14 116.57 118.02 2fua h LYS 145 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2fua h LYS 145 Cb 0.34 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2fua h LYS 145 CO 0.00 0.59 -0.03 0.27 -0.57 0.00 0.00 179.45 179.71 2fua n ASN 146 N -4.67 1.99 -3.86 0.86 6.94 -1.26 -5.03 115.26 110.23 2fua n ASN 146 Ca 0.16 -2.56 -0.10 0.00 -0.02 0.00 0.00 54.58 52.06 2fua n ASN 146 Cb 0.31 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.39 2fua n ASN 146 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2fua s ARG 147 N -1.93 0.64 0.00 -3.83 1.81 -1.19 -4.67 118.95 109.79 2fua s ARG 147 Ca 0.18 -0.61 0.24 0.00 -1.72 0.00 0.00 55.73 53.81 2fua s ARG 147 Cb 0.15 0.26 0.22 0.00 -0.45 0.00 0.00 34.95 35.14 2fua s ARG 147 CO 0.02 -0.18 1.22 1.63 -0.68 0.00 0.00 175.30 177.31 2fua n LYS 148 N 0.82 0.53 -3.87 3.54 5.02 -0.60 -4.42 118.16 119.18 2fua n LYS 148 Ca -0.19 -0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 55.59 2fua n LYS 148 Cb 0.58 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 2fua n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fua s ALA 149 N -2.74 -0.33 -0.02 7.82 0.00 -1.26 -0.51 121.76 124.72 2fua s ALA 149 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 2fua s ALA 149 Cb 0.18 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2fua s ALA 149 CO 0.67 -0.20 0.26 -0.08 0.00 0.00 0.00 175.76 176.42 2fua s THR 150 N -1.24 0.06 0.49 0.00 -1.32 -0.68 -4.45 115.64 108.50 2fua s THR 150 Ca -0.13 -0.48 -0.06 0.00 -1.21 0.00 0.00 61.69 59.81 2fua s THR 150 Cb -0.07 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 2fua s THR 150 CO 0.01 -0.26 0.81 -0.76 -2.21 0.00 0.00 174.62 172.21 2fua s LEU 151 N -1.17 3.60 -0.13 9.08 1.43 0.41 -1.97 118.68 129.94 2fua s LEU 151 Ca -0.12 0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2fua s LEU 151 Cb -0.05 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.25 2fua s LEU 151 CO 0.03 -0.59 -0.10 -0.76 0.23 0.00 0.00 176.35 175.16 2fua s LEU 152 N -4.73 1.40 -0.01 1.79 1.02 0.57 -1.28 118.68 117.44 2fua s LEU 152 Ca 0.48 -0.40 -0.37 0.00 0.02 0.00 0.00 54.13 53.86 2fua s LEU 152 Cb -0.10 -0.96 -0.15 0.00 0.02 0.00 0.00 46.19 44.99 2fua s LEU 152 CO 0.45 -0.11 1.54 1.67 0.02 0.00 0.00 176.35 179.92 2fua n GLN 153 N 4.88 1.41 -2.68 1.70 7.27 -0.31 -1.78 117.38 127.86 2fua n GLN 153 Ca -0.14 0.51 -0.21 0.00 0.07 0.00 0.00 57.00 57.23 2fua n GLN 153 Cb 0.50 -2.21 0.01 0.00 2.41 0.00 0.00 30.24 30.95 2fua n GLN 153 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2fua n HIS 154 N 3.81 -1.45 0.09 3.69 8.25 -1.10 -4.40 115.22 124.12 2fua n HIS 154 Ca 0.21 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2fua n HIS 154 Cb 0.20 -4.03 0.00 0.00 1.12 0.00 0.00 29.99 27.28 2fua n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fua n HIS 155 N -4.15 -2.02 0.00 4.41 -0.00 -0.74 -5.03 115.22 107.70 2fua n HIS 155 Ca -0.18 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2fua n HIS 155 Cb 0.65 1.07 0.00 0.00 -0.00 0.00 0.00 29.99 31.71 2fua n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fua n GLY 156 N 0.68 -0.55 3.06 1.57 0.00 -0.84 -4.71 105.19 104.40 2fua n GLY 156 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2fua n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fua s LEU 157 N 0.00 1.66 -0.09 0.99 1.98 -0.39 -0.32 118.68 122.51 2fua s LEU 157 Ca 0.00 -0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.12 2fua s LEU 157 Cb 0.00 0.51 0.02 0.00 0.66 0.00 0.00 46.19 47.38 2fua s LEU 157 CO 0.00 -0.27 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.46 2fua s ILE 158 N -1.00 1.11 -0.03 6.68 1.01 -0.83 -1.91 121.20 126.24 2fua s ILE 158 Ca -0.11 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.17 2fua s ILE 158 Cb -0.06 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2fua s ILE 158 CO 0.01 0.37 -0.10 0.00 0.00 0.00 0.00 174.94 175.22 2fua s ALA 159 N 1.22 0.93 0.12 9.38 0.00 -0.53 -1.68 121.76 131.20 2fua s ALA 159 Ca -0.04 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2fua s ALA 159 Cb -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2fua s ALA 159 CO -0.03 0.16 -0.18 0.00 0.00 0.00 0.00 175.76 175.71 2fua n GLU 161 N 0.75 0.64 0.08 0.00 -0.58 -1.01 -4.79 120.64 115.72 2fua n GLU 161 Ca -0.17 -1.59 0.12 0.00 -0.42 0.00 0.00 57.16 55.10 2fua n GLU 161 Cb 0.55 1.79 0.46 0.00 -0.57 0.00 0.00 31.44 33.68 2fua n GLU 161 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2fua n VAL 162 N -0.36 0.56 -3.72 2.62 0.24 -1.26 -0.85 118.33 115.55 2fua n VAL 162 Ca -0.03 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 2fua n VAL 162 Cb 0.39 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 2fua n VAL 162 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2fua s ASN 163 N -4.03 -0.34 0.31 -1.34 2.20 -1.26 -4.43 114.94 106.05 2fua s ASN 163 Ca 0.10 -0.41 -0.01 0.00 -0.94 0.00 0.00 52.86 51.60 2fua s ASN 163 Cb 0.13 0.67 0.48 0.00 -2.00 0.00 0.00 41.25 40.53 2fua s ASN 163 CO 0.51 -1.19 1.94 -0.07 -2.94 0.00 0.00 177.10 175.34 2fua h LEU 164 N 2.00 0.84 -0.31 3.54 3.38 -1.90 -1.93 115.31 120.93 2fua h LEU 164 Ca -0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2fua h LEU 164 Cb 1.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2fua h LEU 164 CO 0.27 0.67 0.14 -0.08 0.09 0.00 0.00 178.44 179.53 2fua h GLU 165 N 0.96 0.46 -0.18 1.13 4.81 -1.98 -0.30 114.58 119.49 2fua h GLU 165 Ca 0.25 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 2fua h GLU 165 Cb 0.00 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2fua h GLU 165 CO -0.04 0.45 -0.59 0.87 -0.73 0.00 0.00 179.01 178.97 2fua h LYS 166 N 0.37 0.58 -0.54 1.92 1.79 -1.95 -1.29 116.57 117.44 2fua h LYS 166 Ca 0.11 -0.38 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 2fua h LYS 166 Cb 0.15 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2fua h LYS 166 CO -0.01 1.00 0.12 0.00 -1.08 0.00 0.00 179.45 179.48 2fua h ALA 167 N 0.91 0.72 -0.40 3.86 0.00 -1.15 0.75 119.26 123.94 2fua h ALA 167 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2fua h ALA 167 Cb 1.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2fua h ALA 167 CO 0.11 0.42 0.12 1.25 0.00 0.00 0.00 179.25 181.15 2fua h LEU 168 N 0.77 0.59 -0.73 0.00 7.12 -1.00 -2.12 115.31 119.94 2fua h LEU 168 Ca 0.17 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.97 2fua h LEU 168 Cb 0.35 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.29 2fua h LEU 168 CO 0.00 0.65 0.48 -0.25 -0.13 0.00 0.00 178.44 179.20 2fua h TRP 169 N 0.51 0.92 -0.14 1.25 7.01 -0.87 -1.65 115.95 122.99 2fua h TRP 169 Ca 0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2fua h TRP 169 Cb 0.27 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2fua h TRP 169 CO 0.01 0.58 0.06 1.25 -2.79 0.00 0.00 178.44 177.56 2fua h LEU 170 N 0.99 0.19 -0.79 0.65 6.46 -0.65 -1.26 115.31 120.90 2fua h LEU 170 Ca 0.27 -0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 2fua h LEU 170 Cb -0.11 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.70 2fua h LEU 170 CO -0.06 0.27 0.44 0.00 -0.62 0.00 0.00 178.44 178.47 2fua h ALA 171 N 0.92 1.12 -0.53 1.25 0.00 -1.20 -0.41 119.26 120.42 2fua h ALA 171 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2fua h ALA 171 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fua h ALA 171 CO -0.01 0.05 0.02 1.25 0.00 0.00 0.00 179.25 180.56 2fua h HIS 172 N 0.73 0.99 -0.31 0.00 -0.00 -1.08 -2.20 115.15 113.29 2fua h HIS 172 Ca 0.38 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.52 2fua h HIS 172 Cb 0.37 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2fua h HIS 172 CO -0.07 0.91 -0.11 1.49 -0.00 0.00 0.00 177.93 180.15 2fua h GLU 173 N 0.79 0.51 -0.03 5.26 4.57 -0.49 -2.05 114.58 123.14 2fua h GLU 173 Ca 0.15 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 2fua h GLU 173 Cb 0.50 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 2fua h GLU 173 CO 0.02 0.62 -0.63 0.28 -1.18 0.00 0.00 179.01 178.12 2fua h VAL 174 N 0.48 1.43 -0.38 0.32 2.07 -0.78 -1.84 116.25 117.54 2fua h VAL 174 Ca 0.09 -2.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 2fua h VAL 174 Cb 0.47 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2fua h VAL 174 CO 0.03 0.61 0.08 -0.08 0.02 0.00 0.00 177.57 178.22 2fua h GLU 175 N 0.09 0.61 -0.51 1.57 4.57 -0.90 0.20 114.58 120.21 2fua h GLU 175 Ca -0.01 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2fua h GLU 175 Cb 1.14 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 2fua h GLU 175 CO 0.09 0.66 0.29 0.28 -1.18 0.00 0.00 179.01 179.15 2fua h VAL 176 N 0.46 1.17 -0.94 0.32 2.07 -1.17 0.08 116.25 118.23 2fua h VAL 176 Ca 0.12 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2fua h VAL 176 Cb 0.33 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2fua h VAL 176 CO 0.00 0.17 0.59 -0.07 0.02 0.00 0.00 177.57 178.29 2fua h LEU 177 N 0.68 1.12 -0.23 2.57 3.38 -1.09 -0.95 115.31 120.79 2fua h LEU 177 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2fua h LEU 177 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2fua h LEU 177 CO -0.03 0.84 0.12 0.00 0.09 0.00 0.00 178.44 179.46 2fua h ALA 178 N 1.35 0.29 -0.54 1.53 0.00 0.20 -1.56 119.26 120.54 2fua h ALA 178 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2fua h ALA 178 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2fua h ALA 178 CO -0.07 -0.17 0.10 0.37 0.00 0.00 0.00 179.25 179.49 2fua h GLN 179 N 0.25 0.84 -0.67 0.00 4.15 -0.77 -2.00 115.11 116.91 2fua h GLN 179 Ca 0.08 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 2fua h GLN 179 Cb 0.08 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2fua h GLN 179 CO -0.01 0.78 0.27 -0.07 -1.93 0.00 0.00 178.83 177.87 2fua h LEU 180 N 0.81 0.93 -0.36 -2.39 3.38 -0.94 -1.91 115.31 114.82 2fua h LEU 180 Ca 0.17 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2fua h LEU 180 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2fua h LEU 180 CO 0.00 0.84 -0.13 0.22 0.09 0.00 0.00 178.44 179.47 2fua h TYR 181 N 0.96 0.82 -0.45 1.13 3.20 -1.00 -2.69 116.97 118.94 2fua h TYR 181 Ca 0.23 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2fua h TYR 181 Cb 0.20 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2fua h TYR 181 CO 0.01 0.89 0.00 -0.07 -1.64 0.00 0.00 178.16 177.36 2fua h LEU 182 N 0.51 0.78 -0.13 2.82 3.38 -1.24 -1.09 115.31 120.34 2fua h LEU 182 Ca 0.09 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2fua h LEU 182 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2fua h LEU 182 CO 0.04 0.89 -0.04 0.74 0.09 0.00 0.00 178.44 180.16 2fua h THR 183 N 0.64 0.84 -0.11 0.22 2.02 -1.38 -2.58 112.91 112.56 2fua h THR 183 Ca 0.13 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 2fua h THR 183 Cb 0.49 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2fua h THR 183 CO 0.02 0.00 -0.62 0.71 0.37 0.00 0.00 175.52 176.00 2fua h THR 184 N -0.02 1.36 -0.25 3.16 1.35 -1.40 -3.11 112.91 114.00 2fua h THR 184 Ca 0.06 -1.96 -0.02 0.00 -0.55 0.00 0.00 66.41 63.95 2fua h THR 184 Cb 0.12 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 2fua h THR 184 CO -0.14 0.59 0.08 0.25 -0.25 0.00 0.00 175.52 176.05 2fua h LEU 185 N 0.29 0.31 -1.47 3.87 5.85 -1.07 0.21 115.31 123.30 2fua h LEU 185 Ca -0.01 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2fua h LEU 185 Cb 1.16 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2fua h LEU 185 CO 0.11 0.31 -0.08 0.00 -0.34 0.00 0.00 178.44 178.44 2fua h ALA 186 N 1.74 1.03 0.00 1.25 0.00 -1.39 -3.27 119.26 118.63 2fua h ALA 186 Ca 0.09 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 2fua h ALA 186 Cb 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2fua h ALA 186 CO -0.01 0.10 -1.94 -0.89 0.00 0.00 0.00 179.25 176.51 2fua n ILE 187 N -3.23 1.54 -3.90 0.00 2.08 0.19 -5.01 119.36 111.02 2fua n ILE 187 Ca 0.00 -0.22 -0.12 0.00 0.56 0.00 0.00 62.75 62.97 2fua n ILE 187 Cb 0.32 -1.95 -0.14 0.00 -0.75 0.00 0.00 39.64 37.13 2fua n ILE 187 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2fua s THR 188 N -2.44 0.04 -0.09 1.39 -1.32 0.50 -5.13 115.64 108.58 2fua s THR 188 Ca -0.34 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.06 2fua s THR 188 Cb 0.11 -0.05 0.03 0.00 -1.51 0.00 0.00 72.50 71.08 2fua s THR 188 CO 0.54 -0.02 0.00 -0.62 -2.21 0.00 0.00 174.62 172.32 2fua s ASP 189 N -0.09 1.83 0.69 8.08 -1.08 -1.26 -3.87 116.67 120.98 2fua s ASP 189 Ca -0.01 -0.21 -0.11 0.00 -0.52 0.00 0.00 52.55 51.70 2fua s ASP 189 Cb -0.01 -0.48 0.01 0.00 -1.46 0.00 0.00 42.92 40.98 2fua s ASP 189 CO -0.00 -0.21 1.08 -2.16 0.52 0.00 0.00 175.17 174.40 2fua s PRO 190 N 1.94 2.96 0.04 4.34 0.04 -1.26 -5.15 135.00 137.91 2fua s PRO 190 Ca 0.04 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.39 2fua s PRO 190 Cb -0.13 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2fua s PRO 190 CO -0.06 -0.99 0.85 0.08 0.04 0.00 0.00 177.00 176.92 2fua s VAL 191 N -3.28 4.74 0.52 -0.36 1.01 -1.25 -5.01 120.40 116.76 2fua s VAL 191 Ca 0.58 1.80 -0.21 0.00 0.00 0.00 0.00 61.98 64.14 2fua s VAL 191 Cb -0.12 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 2fua s VAL 191 CO 0.53 0.30 0.94 -2.65 0.00 0.00 0.00 175.10 174.22 2fua n PRO 192 N 3.12 1.08 -4.23 2.72 -0.02 -1.26 -5.00 135.00 131.41 2fua n PRO 192 Ca 0.00 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 2fua n PRO 192 Cb 0.50 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 2fua n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2fua s VAL 193 N -1.43 0.46 0.26 -1.45 -7.23 -1.26 -4.64 120.40 105.12 2fua s VAL 193 Ca 0.69 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 2fua s VAL 193 Cb -0.48 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 2fua s VAL 193 CO 0.52 -0.37 0.70 -0.76 -0.31 0.00 0.00 175.10 174.89 2fua s LEU 194 N -3.16 4.20 0.89 1.32 1.43 0.20 -5.01 118.68 118.55 2fua s LEU 194 Ca 0.27 1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 2fua s LEU 194 Cb 0.07 -3.81 0.13 0.00 0.03 0.00 0.00 46.19 42.61 2fua s LEU 194 CO 0.05 -0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.70 2fua s SER 195 N -2.01 3.51 0.34 2.29 1.04 -1.26 -4.79 113.70 112.82 2fua s SER 195 Ca 0.48 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.38 2fua s SER 195 Cb -0.13 -2.13 0.61 0.00 0.10 0.00 0.00 66.02 64.47 2fua s SER 195 CO 0.19 -2.61 1.94 0.44 0.98 0.00 0.00 173.24 174.18 2fua h ASP 196 N -1.53 0.64 -0.36 7.02 3.32 -1.99 -1.85 116.42 121.68 2fua h ASP 196 Ca -0.50 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 2fua h ASP 196 Cb 1.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2fua h ASP 196 CO 0.55 0.56 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.29 2fua h GLU 197 N 0.72 0.65 -0.47 3.56 5.08 -1.99 -0.34 114.58 121.78 2fua h GLU 197 Ca 0.18 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2fua h GLU 197 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2fua h GLU 197 CO -0.02 0.76 0.19 1.49 -1.00 0.00 0.00 179.01 180.43 2fua h GLU 198 N 0.46 0.67 -0.01 2.33 4.57 -1.83 -1.17 114.58 119.59 2fua h GLU 198 Ca 0.10 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 2fua h GLU 198 Cb 0.48 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2fua h GLU 198 CO 0.02 0.55 -0.61 0.82 -1.18 0.00 0.00 179.01 178.62 2fua h ILE 199 N 0.67 1.43 -0.63 2.32 1.08 -1.07 -2.82 117.51 118.49 2fua h ILE 199 Ca 0.16 -2.06 -0.04 0.00 -0.39 0.00 0.00 64.86 62.53 2fua h ILE 199 Cb 0.13 2.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 2fua h ILE 199 CO -0.02 0.59 0.26 0.00 -0.69 0.00 0.00 178.15 178.29 2fua h ALA 200 N 1.36 0.82 -0.41 1.87 0.00 0.11 -1.60 119.26 121.41 2fua h ALA 200 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2fua h ALA 200 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2fua h ALA 200 CO 0.08 0.43 0.10 0.28 0.00 0.00 0.00 179.25 180.14 2fua h VAL 201 N 0.88 1.23 -0.67 0.00 2.07 -1.23 -1.95 116.25 116.57 2fua h VAL 201 Ca 0.21 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2fua h VAL 201 Cb 0.20 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2fua h VAL 201 CO -0.02 0.28 0.31 0.58 0.02 0.00 0.00 177.57 178.75 2fua h VAL 202 N 0.53 1.23 -0.27 2.57 2.07 -1.31 0.15 116.25 121.22 2fua h VAL 202 Ca 0.13 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2fua h VAL 202 Cb 0.32 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2fua h VAL 202 CO 0.00 0.27 0.18 -0.07 0.02 0.00 0.00 177.57 177.97 2fua h LEU 203 N 0.94 0.31 -0.57 2.57 3.38 -1.21 0.13 115.31 120.86 2fua h LEU 203 Ca 0.23 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2fua h LEU 203 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2fua h LEU 203 CO -0.03 0.22 0.38 -0.08 0.09 0.00 0.00 178.44 179.02 2fua h GLU 204 N 0.36 0.75 -0.74 1.13 4.57 -0.97 -1.00 114.58 118.67 2fua h GLU 204 Ca 0.10 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2fua h GLU 204 Cb -0.04 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 2fua h GLU 204 CO -0.02 0.50 0.42 -0.22 -1.18 0.00 0.00 179.01 178.50 2fua h LYS 205 N 0.77 1.03 -0.03 1.92 3.64 -0.08 -0.60 116.57 123.23 2fua h LYS 205 Ca 0.21 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2fua h LYS 205 Cb -0.09 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 2fua h LYS 205 CO -0.04 0.75 -0.49 0.74 -2.27 0.00 0.00 179.45 178.13 2fua h PHE 206 N 1.04 0.08 -0.40 1.91 0.04 -0.33 -1.73 116.94 117.56 2fua h PHE 206 Ca 0.26 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 2fua h PHE 206 Cb 0.01 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2fua h PHE 206 CO 0.01 0.55 0.00 0.87 -0.60 0.00 0.00 178.31 179.13 2fua h LYS 207 N 0.06 0.70 0.96 1.51 1.57 0.18 -1.81 116.57 119.74 2fua h LYS 207 Ca -0.00 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2fua h LYS 207 Cb 0.88 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.14 2fua h LYS 207 CO 0.07 0.79 -0.47 1.15 -0.57 0.00 0.00 179.45 180.41 2fua h THR 208 N 0.53 0.00 0.07 -0.16 2.02 -0.94 -3.38 112.91 111.04 2fua h THR 208 Ca 0.11 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 2fua h THR 208 Cb 0.47 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2fua h THR 208 CO 0.02 0.00 -0.50 1.88 0.37 0.00 0.00 175.52 177.29 2fua h TYR 209 N -1.31 0.37 0.00 3.16 -1.99 -1.39 -3.52 116.97 112.31 2fua h TYR 209 Ca -0.13 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.35 2fua h TYR 209 Cb 1.01 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.71 2fua h TYR 209 CO -0.00 1.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.72