#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioz s THR 2 N 0.00 4.64 -0.09 1.12 2.01 -1.26 -4.86 115.64 117.21 1ioz s THR 2 Ca 0.00 2.02 -0.02 0.00 0.31 0.00 0.00 61.69 64.00 1ioz s THR 2 Cb 0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1ioz s THR 2 CO 0.00 0.27 0.02 -1.61 -0.69 0.00 0.00 174.62 172.61 1ioz s GLU 3 N 0.32 3.06 -0.18 4.92 2.02 -1.26 -0.87 118.70 126.72 1ioz s GLU 3 Ca 0.48 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 55.10 1ioz s GLU 3 Cb -0.22 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.19 1ioz s GLU 3 CO 0.28 0.69 -0.17 0.71 0.02 0.00 0.00 175.26 176.80 1ioz s TYR 4 N -0.85 2.61 -0.49 1.61 2.02 -0.18 -4.95 117.35 117.13 1ioz s TYR 4 Ca 0.13 -1.58 -0.22 0.00 -0.37 0.00 0.00 57.07 55.03 1ioz s TYR 4 Cb -0.11 -1.81 0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1ioz s TYR 4 CO 0.02 -0.77 0.79 0.15 -1.57 0.00 0.00 175.55 174.17 1ioz s LYS 5 N 1.34 3.31 -0.01 -0.62 1.02 -1.26 -0.75 119.74 122.77 1ioz s LYS 5 Ca 0.03 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1ioz s LYS 5 Cb -0.14 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 1ioz s LYS 5 CO -0.11 -1.24 0.02 -0.51 -0.92 0.00 0.00 175.35 172.59 1ioz s LEU 6 N 3.31 3.63 -0.11 3.17 1.43 0.16 -0.98 118.68 129.30 1ioz s LEU 6 Ca 0.26 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1ioz s LEU 6 Cb -0.14 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1ioz s LEU 6 CO 0.19 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.24 1ioz s VAL 7 N -1.10 1.34 -0.30 -1.59 1.01 -0.28 -0.65 120.40 118.83 1ioz s VAL 7 Ca 0.20 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1ioz s VAL 7 Cb -0.12 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ioz s VAL 7 CO 0.11 0.41 0.19 -0.69 0.00 0.00 0.00 175.10 175.12 1ioz s VAL 8 N 1.21 5.16 0.22 2.92 1.01 -0.64 -0.53 120.40 129.75 1ioz s VAL 8 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1ioz s VAL 8 Cb -0.14 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1ioz s VAL 8 CO -0.04 0.16 -0.15 0.68 0.00 0.00 0.00 175.10 175.75 1ioz s VAL 9 N 1.72 1.86 0.00 2.92 -7.23 -0.18 -2.90 120.40 116.59 1ioz s VAL 9 Ca 0.06 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 1ioz s VAL 9 Cb -0.16 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1ioz s VAL 9 CO 0.10 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1ioz n GLY 10 N -0.40 3.03 3.62 2.32 0.00 -1.26 -1.12 105.19 111.39 1ioz n GLY 10 Ca -0.08 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 1ioz n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioz n ALA 11 N -1.24 -0.97 -1.80 4.61 0.00 -1.26 -4.90 120.51 114.95 1ioz n ALA 11 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1ioz n ALA 11 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.31 1ioz n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ioz s GLY 12 N -2.34 2.69 0.00 0.00 0.00 -1.26 -2.96 107.32 103.46 1ioz s GLY 12 Ca 0.67 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.82 1ioz s GLY 12 CO 0.58 2.21 0.00 0.61 0.00 0.00 0.00 173.10 176.50 1ioz n GLY 13 N 1.21 1.34 0.25 0.20 0.00 -1.26 -4.92 105.19 102.01 1ioz n GLY 13 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 1ioz n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ioz h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 1ioz h VAL 14 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1ioz h VAL 14 Cb 0.00 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1ioz h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1ioz n GLY 15 N 0.09 1.89 0.04 5.19 0.00 -1.26 -4.61 105.19 106.53 1ioz n GLY 15 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1ioz n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ioz h LYS 16 N 0.00 -0.00 -0.39 1.61 1.57 -1.90 -0.73 116.57 116.73 1ioz h LYS 16 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ioz h LYS 16 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ioz h LYS 16 CO 0.00 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 179.64 1ioz h SER 17 N -0.00 0.68 -1.01 0.86 0.02 -1.96 -2.08 113.55 110.06 1ioz h SER 17 Ca -0.00 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.69 1ioz h SER 17 Cb 0.00 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1ioz h SER 17 CO 0.00 0.83 0.65 0.00 -1.14 0.00 0.00 176.83 177.18 1ioz h ALA 18 N 0.87 1.39 -0.09 3.77 0.00 -1.78 0.11 119.26 123.53 1ioz h ALA 18 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ioz h ALA 18 Cb 0.49 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ioz h ALA 18 CO 0.02 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 1ioz h LEU 19 N 1.21 0.15 -0.20 0.00 3.38 -0.97 -1.29 115.31 117.59 1ioz h LEU 19 Ca 0.42 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ioz h LEU 19 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ioz h LEU 19 CO -0.16 0.41 0.12 0.74 0.09 0.00 0.00 178.44 179.64 1ioz h THR 20 N -0.12 1.08 -0.59 0.22 2.02 -0.86 -1.90 112.91 112.76 1ioz h THR 20 Ca 0.03 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ioz h THR 20 Cb 0.33 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ioz h THR 20 CO 0.00 0.08 0.31 0.40 0.37 0.00 0.00 175.52 176.68 1ioz h ILE 21 N 0.24 1.20 -0.69 3.11 1.08 -0.81 -0.81 117.51 120.84 1ioz h ILE 21 Ca 0.07 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1ioz h ILE 21 Cb 0.03 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.19 1ioz h ILE 21 CO -0.01 0.22 0.38 1.56 -0.69 0.00 0.00 178.15 179.61 1ioz h GLN 22 N 0.80 0.68 0.10 2.37 1.08 -1.04 1.13 115.11 120.23 1ioz h GLN 22 Ca 0.21 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1ioz h GLN 22 Cb 0.08 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1ioz h GLN 22 CO -0.03 0.45 -0.05 1.25 -0.95 0.00 0.00 178.83 179.50 1ioz h LEU 23 N 0.70 -0.12 0.14 1.46 5.85 -0.77 0.13 115.31 122.69 1ioz h LEU 23 Ca 0.31 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1ioz h LEU 23 Cb 0.21 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ioz h LEU 23 CO -0.19 -0.02 -0.07 0.40 -0.34 0.00 0.00 178.44 178.22 1ioz h ILE 24 N -0.21 1.02 -0.02 4.05 1.08 -0.52 -3.37 117.51 119.54 1ioz h ILE 24 Ca -0.01 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1ioz h ILE 24 Cb 0.17 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1ioz h ILE 24 CO 0.02 0.22 -0.23 0.00 -0.69 0.00 0.00 178.15 177.48 1ioz n GLN 25 N -4.95 1.66 -2.79 2.37 6.02 0.38 -5.00 117.38 115.08 1ioz n GLN 25 Ca -0.08 -1.32 -0.20 0.00 -0.01 0.00 0.00 57.00 55.38 1ioz n GLN 25 Cb 0.26 -1.41 0.02 0.00 1.02 0.00 0.00 30.24 30.13 1ioz n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ioz n ASN 26 N 0.52 -5.77 -3.68 1.08 3.02 0.44 -4.97 115.26 105.90 1ioz n ASN 26 Ca 0.10 -0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.33 1ioz n ASN 26 Cb 0.47 -4.66 -0.07 0.00 -0.61 0.00 0.00 39.78 34.92 1ioz n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1ioz s HIS 27 N -3.09 -0.23 -0.37 3.10 -3.43 -1.26 -5.02 115.29 104.99 1ioz s HIS 27 Ca 0.20 0.17 -0.23 0.00 -0.80 0.00 0.00 55.06 54.40 1ioz s HIS 27 Cb -0.09 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.26 1ioz s HIS 27 CO 0.24 -0.56 0.76 0.12 -2.00 0.00 0.00 174.74 173.31 1ioz s PHE 28 N -2.50 3.10 -0.18 0.38 5.36 -1.26 -3.73 117.98 119.15 1ioz s PHE 28 Ca -0.05 0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 56.35 1ioz s PHE 28 Cb -0.01 -3.40 -0.03 0.00 -0.34 0.00 0.00 43.02 39.24 1ioz s PHE 28 CO -0.03 -0.75 0.01 0.14 -1.46 0.00 0.00 175.22 173.13 1ioz s VAL 29 N 3.07 4.22 0.36 3.12 -7.23 -1.26 -5.08 120.40 117.60 1ioz s VAL 29 Ca 0.30 -0.23 0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1ioz s VAL 29 Cb -0.13 -2.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1ioz s VAL 29 CO 0.17 0.46 0.12 1.51 -0.31 0.00 0.00 175.10 177.05 1ioz s ASP 30 N 0.53 4.47 -1.80 4.85 1.47 -1.26 -4.59 116.67 120.34 1ioz s ASP 30 Ca -0.00 -0.92 0.00 0.00 1.18 0.00 0.00 52.55 52.81 1ioz s ASP 30 Cb -0.14 -0.61 0.00 0.00 -0.34 0.00 0.00 42.92 41.84 1ioz s ASP 30 CO 0.02 -0.35 0.00 -0.62 0.68 0.00 0.00 175.17 174.90 1ioz n GLU 31 N -1.12 -1.61 -2.14 2.11 1.02 -1.26 -4.92 120.64 112.72 1ioz n GLU 31 Ca -0.03 1.01 -0.42 0.00 -0.02 0.00 0.00 57.16 57.71 1ioz n GLU 31 Cb 0.62 -5.51 -0.03 0.00 -0.02 0.00 0.00 31.44 26.50 1ioz n GLU 31 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1ioz s TYR 32 N -2.77 3.20 -0.59 -0.32 5.04 -1.26 -4.82 117.35 115.83 1ioz s TYR 32 Ca 0.00 1.00 -0.40 0.00 -2.44 0.00 0.00 57.07 55.23 1ioz s TYR 32 Cb 0.00 -3.71 -0.19 0.00 0.35 0.00 0.00 41.96 38.42 1ioz s TYR 32 CO 0.00 -2.40 2.26 -3.47 -1.34 0.00 0.00 175.55 170.61 1ioz n ASP 33 N 3.36 0.79 0.06 4.32 -0.08 -1.26 -4.78 116.55 118.97 1ioz n ASP 33 Ca 0.10 0.54 0.06 0.00 -1.51 0.00 0.00 54.79 53.97 1ioz n ASP 33 Cb 0.42 -0.94 0.28 0.00 2.34 0.00 0.00 41.12 43.22 1ioz n ASP 33 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ioz n PRO 34 N 7.78 0.06 -0.05 -0.67 -0.02 -1.26 -2.52 135.00 138.32 1ioz n PRO 34 Ca 0.56 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.63 1ioz n PRO 34 Cb 0.00 -1.68 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 1ioz n PRO 34 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ioz n THR 35 N -1.81 0.15 -3.35 3.45 -2.24 -1.26 -4.83 114.28 104.39 1ioz n THR 35 Ca 0.01 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.83 1ioz n THR 35 Cb 0.07 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1ioz n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ioz s ILE 36 N -1.73 5.20 -0.16 2.28 -1.09 -1.05 -4.98 121.20 119.68 1ioz s ILE 36 Ca 0.29 0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 59.60 1ioz s ILE 36 Cb 0.19 -3.79 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1ioz s ILE 36 CO 0.29 0.35 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.58 1ioz s GLU 37 N 0.53 1.53 0.24 2.79 2.12 -1.26 -4.57 118.70 120.09 1ioz s GLU 37 Ca 0.24 -0.49 -0.15 0.00 0.36 0.00 0.00 54.97 54.93 1ioz s GLU 37 Cb -0.15 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1ioz s GLU 37 CO 0.09 -0.39 0.52 0.34 -0.54 0.00 0.00 175.26 175.29 1ioz s ASP 38 N 1.62 -0.14 0.00 -1.70 2.15 -1.21 -5.00 116.67 112.40 1ioz s ASP 38 Ca 0.02 -0.81 -0.00 0.00 0.43 0.00 0.00 52.55 52.18 1ioz s ASP 38 Cb -0.15 0.61 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 1ioz s ASP 38 CO -0.08 -1.16 0.09 -0.44 -0.17 0.00 0.00 175.17 173.41 1ioz s SER 39 N -2.98 5.72 -0.02 -0.34 0.01 -1.26 -1.37 113.70 113.46 1ioz s SER 39 Ca 0.18 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.65 1ioz s SER 39 Cb -0.02 -1.65 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1ioz s SER 39 CO 0.07 0.26 -0.21 -0.31 0.41 0.00 0.00 173.24 173.47 1ioz s TYR 40 N -1.22 1.89 0.12 2.43 1.51 0.58 -4.93 117.35 117.73 1ioz s TYR 40 Ca 0.24 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.98 1ioz s TYR 40 Cb -0.12 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1ioz s TYR 40 CO 0.15 -0.07 -0.18 1.03 -1.11 0.00 0.00 175.55 175.38 1ioz s ARG 41 N -0.39 1.79 -0.19 -0.62 0.52 -1.26 -0.33 118.95 118.48 1ioz s ARG 41 Ca 0.05 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.96 1ioz s ARG 41 Cb -0.09 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 33.33 1ioz s ARG 41 CO -0.00 0.48 0.48 0.21 0.02 0.00 0.00 175.30 176.48 1ioz s LYS 42 N -2.18 0.48 -0.16 3.54 2.20 -0.71 -4.98 119.74 117.93 1ioz s LYS 42 Ca 0.18 0.87 -0.19 0.00 -0.36 0.00 0.00 55.97 56.47 1ioz s LYS 42 Cb -0.10 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1ioz s LYS 42 CO 0.10 -0.15 0.55 -1.14 -0.36 0.00 0.00 175.35 174.36 1ioz s GLN 43 N 1.34 4.27 0.23 4.03 0.74 -1.26 -0.56 119.66 128.45 1ioz s GLN 43 Ca -0.09 0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.85 1ioz s GLN 43 Cb -0.07 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1ioz s GLN 43 CO -0.13 -0.05 0.17 0.14 -0.55 0.00 0.00 175.29 174.87 1ioz s VAL 44 N 1.30 0.00 -0.24 1.34 -7.23 -0.16 -4.98 120.40 110.43 1ioz s VAL 44 Ca 0.27 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1ioz s VAL 44 Cb -0.16 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1ioz s VAL 44 CO 0.11 0.00 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.12 1ioz s VAL 45 N -3.98 2.72 -0.18 1.32 1.01 -1.26 -0.60 120.40 119.42 1ioz s VAL 45 Ca 0.39 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ioz s VAL 45 Cb 0.06 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1ioz s VAL 45 CO 0.16 0.26 -0.13 -0.63 0.00 0.00 0.00 175.10 174.75 1ioz s ILE 46 N 1.31 1.71 -1.33 2.22 1.01 -0.13 -4.77 121.20 121.23 1ioz s ILE 46 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1ioz s ILE 46 Cb -0.16 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 1ioz s ILE 46 CO -0.06 0.32 0.62 0.47 0.00 0.00 0.00 174.94 176.30 1ioz n ASP 47 N 4.69 -1.09 0.00 3.58 8.00 -1.26 -1.39 116.55 129.08 1ioz n ASP 47 Ca -0.16 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1ioz n ASP 47 Cb 0.48 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 1ioz n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ioz n GLY 48 N -1.69 0.93 3.37 0.44 0.00 -1.26 -4.99 105.19 101.99 1ioz n GLY 48 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1ioz n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ioz s GLU 49 N -0.25 3.49 -0.12 1.61 2.12 -0.49 -5.08 118.70 119.99 1ioz s GLU 49 Ca 0.00 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 1ioz s GLU 49 Cb 0.00 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1ioz s GLU 49 CO 0.00 -0.15 1.04 0.99 -0.54 0.00 0.00 175.26 176.60 1ioz s THR 50 N 1.40 4.70 0.22 -1.70 2.01 -1.26 -0.95 115.64 120.05 1ioz s THR 50 Ca 0.05 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 64.01 1ioz s THR 50 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1ioz s THR 50 CO -0.00 -0.03 0.19 0.00 -0.69 0.00 0.00 174.62 174.08 1ioz s LEU 52 N -3.16 3.01 -0.06 0.00 2.96 -0.05 -0.99 118.68 120.40 1ioz s LEU 52 Ca 0.37 -0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 1ioz s LEU 52 Cb 0.06 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1ioz s LEU 52 CO 0.13 -0.09 0.62 -0.76 -1.32 0.00 0.00 176.35 174.93 1ioz s LEU 53 N 1.37 4.34 -0.38 -0.68 1.43 0.28 -1.01 118.68 124.04 1ioz s LEU 53 Ca 0.02 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1ioz s LEU 53 Cb -0.16 -2.94 0.11 0.00 0.03 0.00 0.00 46.19 43.23 1ioz s LEU 53 CO -0.05 -0.02 0.11 -0.62 0.23 0.00 0.00 176.35 176.00 1ioz s ASP 54 N 0.42 4.80 -0.30 2.29 -1.08 0.07 -1.74 116.67 121.14 1ioz s ASP 54 Ca 0.33 -2.26 -0.10 0.00 -0.52 0.00 0.00 52.55 50.00 1ioz s ASP 54 Cb -0.17 -1.67 -0.02 0.00 -1.46 0.00 0.00 42.92 39.60 1ioz s ASP 54 CO 0.16 -0.39 0.17 -0.63 0.52 0.00 0.00 175.17 175.00 1ioz s ILE 55 N 0.78 4.83 -0.33 4.11 1.01 0.55 -0.66 121.20 131.49 1ioz s ILE 55 Ca 0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1ioz s ILE 55 Cb -0.20 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 1ioz s ILE 55 CO -0.06 0.12 0.71 -0.22 0.00 0.00 0.00 174.94 175.48 1ioz s LEU 56 N 1.66 4.14 -0.69 2.97 2.96 0.18 -0.31 118.68 129.59 1ioz s LEU 56 Ca 0.06 0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 54.20 1ioz s LEU 56 Cb -0.17 -2.93 0.10 0.00 0.50 0.00 0.00 46.19 43.69 1ioz s LEU 56 CO 0.08 -0.59 0.88 -0.62 -1.32 0.00 0.00 176.35 174.77 1ioz s ASP 57 N 1.70 6.30 0.43 3.68 2.15 -0.47 -1.63 116.67 128.83 1ioz s ASP 57 Ca 0.29 -1.47 -0.23 0.00 0.43 0.00 0.00 52.55 51.56 1ioz s ASP 57 Cb -0.14 -2.35 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 1ioz s ASP 57 CO 0.14 -1.19 1.07 0.42 -0.17 0.00 0.00 175.17 175.44 1ioz s THR 58 N 3.01 3.59 0.00 1.71 -4.23 -1.14 -3.31 115.64 115.27 1ioz s THR 58 Ca 0.19 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 1ioz s THR 58 Cb -0.17 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1ioz s THR 58 CO 0.04 -0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.07 1ioz n ALA 59 N -0.35 1.99 -1.14 3.99 0.00 -1.26 -4.90 120.51 118.84 1ioz n ALA 59 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ioz n ALA 59 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ioz n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ioz n GLY 60 N 2.03 -3.07 0.00 0.00 0.00 -1.26 -4.89 105.19 98.00 1ioz n GLY 60 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ioz n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioz n ARG 68 N 0.15 0.00 0.25 1.61 5.12 -1.26 -5.05 116.66 117.48 1ioz n ARG 68 Ca -0.00 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.09 1ioz n ARG 68 Cb 0.00 0.00 0.79 0.00 -1.16 0.00 0.00 32.46 32.10 1ioz n ARG 68 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1ioz h ASP 69 N 0.00 0.00 0.39 0.55 3.04 -1.98 -2.80 116.42 115.62 1ioz h ASP 69 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1ioz h ASP 69 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1ioz h ASP 69 CO 0.00 0.00 -0.29 1.56 -2.04 0.00 0.00 179.24 178.47 1ioz h GLN 70 N 0.00 -0.65 0.00 4.15 1.08 -2.00 0.14 115.11 117.83 1ioz h GLN 70 Ca 0.00 0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1ioz h GLN 70 Cb 0.24 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1ioz h GLN 70 CO 0.00 -0.43 -0.27 0.10 -0.95 0.00 0.00 178.83 177.28 1ioz h TYR 71 N -0.67 0.00 -0.27 2.96 -0.00 -1.95 -2.97 116.97 114.07 1ioz h TYR 71 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.57 1ioz h TYR 71 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.30 1ioz h TYR 71 CO -0.14 0.27 -0.36 0.52 -0.00 0.00 0.00 178.16 178.46 1ioz h MET 72 N 0.00 0.59 -0.67 0.10 2.86 -1.25 -0.95 114.93 115.62 1ioz h MET 72 Ca -0.00 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1ioz h MET 72 Cb 1.06 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1ioz h MET 72 CO 0.04 0.87 0.21 -0.09 1.06 0.00 0.00 176.91 178.99 1ioz h ARG 73 N 0.50 1.04 0.00 1.72 2.43 -0.58 -2.87 114.38 116.61 1ioz h ARG 73 Ca 0.05 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 1ioz h ARG 73 Cb 0.85 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1ioz h ARG 73 CO 0.07 0.90 -0.53 1.15 -1.51 0.00 0.00 179.97 180.05 1ioz h THR 74 N 0.97 0.98 -3.87 0.20 2.02 -1.41 -3.46 112.91 108.34 1ioz h THR 74 Ca 0.22 -2.17 -0.52 0.00 0.77 0.00 0.00 66.41 64.71 1ioz h THR 74 Cb 0.29 2.33 0.06 0.00 -1.74 0.00 0.00 68.15 69.09 1ioz h THR 74 CO -0.01 0.52 0.60 -0.83 0.37 0.00 0.00 175.52 176.17 1ioz s GLY 75 N -4.46 3.01 -0.14 2.16 0.00 -0.38 -4.89 107.32 102.62 1ioz s GLY 75 Ca 0.02 1.18 0.16 0.00 0.00 0.00 0.00 44.72 46.08 1ioz s GLY 75 CO 0.74 1.82 0.28 1.18 0.00 0.00 0.00 173.10 177.11 1ioz n GLU 76 N 0.84 0.67 -3.92 2.90 1.02 -0.15 -4.97 120.64 117.02 1ioz n GLU 76 Ca -0.00 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1ioz n GLU 76 Cb 0.43 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 1ioz n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ioz s GLY 77 N -5.37 0.15 -0.04 0.62 0.00 -1.00 -4.16 107.32 97.52 1ioz s GLY 77 Ca -0.09 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.24 1ioz s GLY 77 CO 0.82 -0.54 -0.11 -1.36 0.00 0.00 0.00 173.10 171.91 1ioz s PHE 78 N -1.92 1.22 -0.38 1.90 0.40 -0.36 -1.12 117.98 117.72 1ioz s PHE 78 Ca -0.11 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 1ioz s PHE 78 Cb -0.05 -0.88 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1ioz s PHE 78 CO -0.02 -0.17 0.37 -0.51 0.70 0.00 0.00 175.22 175.60 1ioz s LEU 79 N 0.36 4.68 -0.51 -0.37 1.43 0.31 -1.48 118.68 123.10 1ioz s LEU 79 Ca -0.07 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1ioz s LEU 79 Cb -0.12 -2.32 0.09 0.00 0.03 0.00 0.00 46.19 43.87 1ioz s LEU 79 CO 0.02 -0.43 0.49 0.00 0.23 0.00 0.00 176.35 176.65 1ioz s VAL 81 N 1.88 5.20 0.18 0.00 1.01 -0.27 -0.56 120.40 127.84 1ioz s VAL 81 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ioz s VAL 81 Cb -0.25 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1ioz s VAL 81 CO 0.06 0.61 0.07 0.72 0.00 0.00 0.00 175.10 176.56 1ioz s PHE 82 N -0.94 1.14 -0.13 5.22 -0.12 -0.29 -4.13 117.98 118.73 1ioz s PHE 82 Ca 0.14 -1.21 -0.04 0.00 -0.05 0.00 0.00 56.93 55.78 1ioz s PHE 82 Cb -0.12 -0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 1ioz s PHE 82 CO 0.03 -0.44 -0.01 0.00 -0.05 0.00 0.00 175.22 174.75 1ioz s ALA 83 N -3.93 3.15 -1.24 1.99 0.00 -1.26 -0.73 121.76 119.74 1ioz s ALA 83 Ca 0.30 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1ioz s ALA 83 Cb 0.07 -1.58 0.30 0.00 0.00 0.00 0.00 23.12 21.91 1ioz s ALA 83 CO 0.07 0.34 1.12 0.44 0.00 0.00 0.00 175.76 177.72 1ioz n ILE 84 N 3.06 1.19 -0.24 0.00 -5.35 -0.57 -1.40 119.36 116.05 1ioz n ILE 84 Ca -0.18 0.30 0.05 0.00 -0.27 0.00 0.00 62.75 62.66 1ioz n ILE 84 Cb 0.53 -1.19 0.15 0.00 -1.74 0.00 0.00 39.64 37.38 1ioz n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ioz n ASN 85 N -1.38 2.91 -3.67 7.28 6.94 -1.26 -0.30 115.26 125.79 1ioz n ASN 85 Ca 0.02 -2.10 -0.30 0.00 -0.02 0.00 0.00 54.58 52.18 1ioz n ASN 85 Cb 0.06 -0.24 -0.14 0.00 -2.36 0.00 0.00 39.78 37.10 1ioz n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1ioz s ASN 86 N -1.10 3.72 0.27 0.53 3.84 -0.49 -4.69 114.94 117.02 1ioz s ASN 86 Ca 0.23 -1.93 -0.02 0.00 0.21 0.00 0.00 52.86 51.34 1ioz s ASN 86 Cb 0.13 -0.78 0.43 0.00 -0.55 0.00 0.00 41.25 40.48 1ioz s ASN 86 CO 0.13 -0.36 1.89 0.74 -2.79 0.00 0.00 177.10 176.71 1ioz h THR 87 N 5.95 1.09 -1.00 -5.21 2.02 -1.88 -2.11 112.91 111.77 1ioz h THR 87 Ca -0.08 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1ioz h THR 87 Cb 0.99 -0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1ioz h THR 87 CO 0.44 0.21 0.65 0.50 0.37 0.00 0.00 175.52 177.69 1ioz h LYS 88 N 1.16 1.18 -0.18 6.66 1.63 -1.94 -1.12 116.57 123.95 1ioz h LYS 88 Ca 0.42 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 60.07 1ioz h LYS 88 Cb 0.15 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1ioz h LYS 88 CO -0.16 0.78 -0.22 0.66 -3.45 0.00 0.00 179.45 177.06 1ioz h SER 89 N 1.21 0.32 -0.08 4.20 4.64 -1.72 -1.62 113.55 120.50 1ioz h SER 89 Ca 0.41 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1ioz h SER 89 Cb 0.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ioz h SER 89 CO -0.15 0.55 -0.03 0.15 -0.87 0.00 0.00 176.83 176.48 1ioz h PHE 90 N 0.30 0.19 0.00 4.77 3.57 -1.08 -2.90 116.94 121.78 1ioz h PHE 90 Ca 0.05 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ioz h PHE 90 Cb 0.55 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1ioz h PHE 90 CO 0.01 0.51 -0.10 0.93 -2.23 0.00 0.00 178.31 177.43 1ioz h GLU 91 N -0.19 0.00 0.00 1.11 4.39 -1.09 -1.69 114.58 117.12 1ioz h GLU 91 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ioz h GLU 91 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1ioz h GLU 91 CO 0.01 0.10 0.00 -0.44 -1.16 0.00 0.00 179.01 177.52 1ioz h ASP 92 N 0.00 0.00 -0.65 1.42 3.32 -1.09 -3.17 116.42 116.25 1ioz h ASP 92 Ca -0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1ioz h ASP 92 Cb 0.34 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 1ioz h ASP 92 CO 0.01 0.00 0.29 0.40 -1.72 0.00 0.00 179.24 178.22 1ioz h ILE 93 N 0.00 0.81 -0.54 0.35 1.08 -1.27 -2.02 117.51 115.92 1ioz h ILE 93 Ca 0.00 -0.17 0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1ioz h ILE 93 Cb 0.44 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.35 1ioz h ILE 93 CO 0.00 0.09 -0.15 -0.74 -0.69 0.00 0.00 178.15 176.66 1ioz h HIS 94 N 0.50 -0.34 -0.88 1.37 2.76 -1.75 -1.00 115.15 115.81 1ioz h HIS 94 Ca 0.33 0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1ioz h HIS 94 Cb 0.37 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.52 1ioz h HIS 94 CO -0.14 -0.25 0.58 1.96 -1.30 0.00 0.00 177.93 178.78 1ioz h GLN 95 N -0.02 1.12 -0.26 5.26 7.50 -1.58 -1.00 115.11 126.13 1ioz h GLN 95 Ca 0.26 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.31 1ioz h GLN 95 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1ioz h GLN 95 CO -0.56 0.74 0.05 1.88 -1.50 0.00 0.00 178.83 179.44 1ioz h TYR 96 N 1.15 0.45 -0.73 2.96 0.05 -0.97 -1.78 116.97 118.09 1ioz h TYR 96 Ca 0.34 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 59.02 1ioz h TYR 96 Cb -0.07 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1ioz h TYR 96 CO -0.01 0.52 0.30 -0.09 -1.05 0.00 0.00 178.16 177.83 1ioz h ARG 97 N 0.24 1.08 -0.77 4.88 2.43 -1.01 -1.43 114.38 119.80 1ioz h ARG 97 Ca 0.08 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1ioz h ARG 97 Cb 0.31 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1ioz h ARG 97 CO 0.00 0.87 0.30 0.93 -1.51 0.00 0.00 179.97 180.56 1ioz h GLU 98 N 1.06 1.15 -0.38 0.20 4.39 -1.03 -0.59 114.58 119.38 1ioz h GLU 98 Ca 0.25 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1ioz h GLU 98 Cb 0.19 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1ioz h GLU 98 CO -0.02 0.94 0.10 1.96 -1.16 0.00 0.00 179.01 180.83 1ioz h GLN 99 N 1.11 0.60 0.12 2.33 1.08 -0.90 -0.62 115.11 118.85 1ioz h GLN 99 Ca 0.25 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1ioz h GLN 99 Cb 0.23 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ioz h GLN 99 CO -0.02 0.63 -0.06 0.82 -0.95 0.00 0.00 178.83 179.25 1ioz h ILE 100 N 0.47 0.92 -1.00 2.54 2.04 -1.00 -2.23 117.51 119.25 1ioz h ILE 100 Ca 0.12 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1ioz h ILE 100 Cb 0.29 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1ioz h ILE 100 CO -0.00 0.03 0.66 0.11 0.00 0.00 0.00 178.15 178.95 1ioz h LYS 101 N -0.23 1.24 0.66 2.37 1.57 -1.05 -1.25 116.57 119.88 1ioz h LYS 101 Ca -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1ioz h LYS 101 Cb 0.18 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1ioz h LYS 101 CO 0.03 0.82 -0.43 -0.09 -0.57 0.00 0.00 179.45 179.21 1ioz h ARG 102 N 1.28 -0.99 0.00 3.15 2.43 -0.84 0.26 114.38 119.67 1ioz h ARG 102 Ca 0.39 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.57 1ioz h ARG 102 Cb -0.03 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ioz h ARG 102 CO -0.12 -0.66 -0.28 -0.39 -1.51 0.00 0.00 179.97 177.01 1ioz h VAL 103 N -1.03 0.87 0.00 0.20 -1.51 -1.34 -2.73 116.25 110.70 1ioz h VAL 103 Ca -0.08 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 1ioz h VAL 103 Cb 0.84 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1ioz h VAL 103 CO 0.07 0.27 -0.15 0.11 -1.23 0.00 0.00 177.57 176.64 1ioz h LYS 104 N 0.00 0.00 -1.22 5.19 1.79 -1.03 -3.46 116.57 117.84 1ioz h LYS 104 Ca -0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1ioz h LYS 104 Cb 0.63 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.14 1ioz h LYS 104 CO 0.04 0.00 -0.36 -0.25 -1.08 0.00 0.00 179.45 177.79 1ioz n ASP 105 N -2.64 -5.05 -4.25 0.86 9.92 0.06 -4.94 116.55 110.51 1ioz n ASP 105 Ca 0.04 0.45 -0.22 0.00 -0.53 0.00 0.00 54.79 54.52 1ioz n ASP 105 Cb 0.48 -4.48 -0.13 0.00 -0.64 0.00 0.00 41.12 36.36 1ioz n ASP 105 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ioz s SER 106 N -2.58 2.28 0.02 -2.24 0.15 -1.18 -5.04 113.70 105.11 1ioz s SER 106 Ca 0.00 -0.65 0.08 0.00 0.70 0.00 0.00 55.95 56.08 1ioz s SER 106 Cb 0.00 -0.12 -0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1ioz s SER 106 CO 0.00 0.03 0.90 -0.78 1.20 0.00 0.00 173.24 174.59 1ioz h ASP 107 N 4.23 0.07 -3.94 5.45 3.58 -1.92 -3.42 116.42 120.47 1ioz h ASP 107 Ca -0.44 -0.11 -0.65 0.00 0.42 0.00 0.00 57.03 56.25 1ioz h ASP 107 Cb 1.18 -0.02 -0.40 0.00 1.72 0.00 0.00 39.33 41.80 1ioz h ASP 107 CO 0.40 1.09 -0.69 1.51 -2.88 0.00 0.00 179.24 178.68 1ioz s ASP 108 N -6.46 4.51 -0.06 2.28 -4.77 -1.26 -5.04 116.67 105.87 1ioz s ASP 108 Ca -0.04 -2.51 0.02 0.00 -3.30 0.00 0.00 52.55 46.72 1ioz s ASP 108 Cb 0.08 -1.58 -0.03 0.00 -1.09 0.00 0.00 42.92 40.30 1ioz s ASP 108 CO 0.83 -0.32 -0.10 0.68 0.70 0.00 0.00 175.17 176.96 1ioz s VAL 109 N 0.42 3.44 -0.06 2.11 -7.23 -1.26 -5.06 120.40 112.76 1ioz s VAL 109 Ca 0.14 -0.58 -0.36 0.00 -1.81 0.00 0.00 61.98 59.37 1ioz s VAL 109 Cb -0.22 -2.38 -0.14 0.00 0.56 0.00 0.00 36.38 34.20 1ioz s VAL 109 CO -0.05 0.60 1.70 -2.65 -0.31 0.00 0.00 175.10 174.39 1ioz n PRO 110 N 2.25 1.73 -3.65 4.82 -0.02 -1.26 -4.94 135.00 133.94 1ioz n PRO 110 Ca -0.18 0.63 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1ioz n PRO 110 Cb 0.53 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 1ioz n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ioz s MET 111 N 2.75 0.82 -0.04 -0.52 1.75 -1.26 -1.23 119.30 121.57 1ioz s MET 111 Ca 0.90 0.11 0.01 0.00 -1.25 0.00 0.00 55.69 55.46 1ioz s MET 111 Cb -0.83 0.38 0.02 0.00 2.84 0.00 0.00 34.83 37.24 1ioz s MET 111 CO 0.52 -0.23 -0.03 0.08 -0.65 0.00 0.00 175.02 174.71 1ioz s VAL 112 N -1.06 0.45 -0.19 10.11 1.01 -0.55 -4.24 120.40 125.94 1ioz s VAL 112 Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1ioz s VAL 112 Cb -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1ioz s VAL 112 CO 0.06 0.21 0.79 -0.22 0.00 0.00 0.00 175.10 175.94 1ioz s LEU 113 N 1.06 4.15 -0.19 3.92 2.96 -0.23 -1.30 118.68 129.06 1ioz s LEU 113 Ca -0.09 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1ioz s LEU 113 Cb -0.14 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.40 1ioz s LEU 113 CO -0.01 -0.39 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.83 1ioz s VAL 114 N 2.21 2.87 -0.59 1.68 1.01 0.27 -1.33 120.40 126.52 1ioz s VAL 114 Ca 0.36 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1ioz s VAL 114 Cb -0.16 -2.26 0.15 0.00 0.00 0.00 0.00 36.38 34.10 1ioz s VAL 114 CO 0.11 0.48 0.53 -0.83 0.00 0.00 0.00 175.10 175.39 1ioz s GLY 115 N 1.24 2.21 0.59 4.51 0.00 -0.78 -1.14 107.32 113.95 1ioz s GLY 115 Ca 0.03 -2.72 -0.05 0.00 0.00 0.00 0.00 44.72 41.98 1ioz s GLY 115 CO -0.05 1.20 0.89 0.21 0.00 0.00 0.00 173.10 175.35 1ioz s ASN 116 N 3.09 5.48 -0.66 1.64 2.47 0.09 -1.11 114.94 125.95 1ioz s ASN 116 Ca 0.07 0.60 -0.01 0.00 0.42 0.00 0.00 52.86 53.94 1ioz s ASN 116 Cb -0.25 -1.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1ioz s ASN 116 CO -0.00 -1.11 0.10 0.29 -3.72 0.00 0.00 177.10 172.65 1ioz n LYS 117 N -2.57 -1.18 0.00 0.43 5.02 -0.72 -1.51 118.16 117.63 1ioz n LYS 117 Ca 0.05 0.38 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 1ioz n LYS 117 Cb 0.58 -4.23 0.32 0.00 -0.02 0.00 0.00 35.03 31.69 1ioz n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ioz h ASP 119 N 0.00 0.00 -3.83 0.00 2.03 -1.91 -3.45 116.42 109.25 1ioz h ASP 119 Ca 0.00 -0.01 -0.48 0.00 -0.73 0.00 0.00 57.03 55.81 1ioz h ASP 119 Cb 0.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1ioz h ASP 119 CO 0.00 0.01 0.37 -0.76 -1.03 0.00 0.00 179.24 177.82 1ioz s LEU 120 N -5.12 4.47 0.03 0.15 1.43 -0.67 -4.99 118.68 113.98 1ioz s LEU 120 Ca 0.09 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.05 1ioz s LEU 120 Cb 0.10 -3.82 -0.31 0.00 0.03 0.00 0.00 46.19 42.19 1ioz s LEU 120 CO 0.63 -0.01 0.97 0.00 0.23 0.00 0.00 176.35 178.17 1ioz h ALA 121 N 3.59 0.06 -0.17 4.21 0.00 -1.88 -3.40 119.26 121.66 1ioz h ALA 121 Ca -0.46 -0.96 -0.67 0.00 0.00 0.00 0.00 54.91 52.82 1ioz h ALA 121 Cb 1.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ioz h ALA 121 CO 0.66 0.93 2.67 0.00 0.00 0.00 0.00 179.25 183.51 1ioz n ALA 122 N -2.66 4.48 -2.30 0.00 0.00 -1.26 -4.94 120.51 113.83 1ioz n ALA 122 Ca -0.15 -3.69 -0.41 0.00 0.00 0.00 0.00 53.44 49.19 1ioz n ALA 122 Cb 1.06 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.90 1ioz n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ioz s ARG 123 N 3.98 4.65 -0.00 0.00 3.52 -1.26 -4.53 118.95 125.31 1ioz s ARG 123 Ca 0.52 1.36 0.06 0.00 -0.13 0.00 0.00 55.73 57.53 1ioz s ARG 123 Cb 0.12 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 1ioz s ARG 123 CO -0.00 0.23 0.21 0.25 -0.81 0.00 0.00 175.30 175.18 1ioz n THR 124 N 2.78 0.00 -4.04 4.11 -2.24 0.59 -4.92 114.28 110.56 1ioz n THR 124 Ca 0.01 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1ioz n THR 124 Cb 0.49 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 1ioz n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ioz s VAL 125 N -1.84 2.38 0.41 2.28 1.01 -0.36 -4.85 120.40 119.43 1ioz s VAL 125 Ca 0.01 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.44 1ioz s VAL 125 Cb 0.04 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 1ioz s VAL 125 CO 0.24 0.15 1.11 -1.61 0.00 0.00 0.00 175.10 174.99 1ioz s GLU 126 N 1.21 4.06 0.27 2.72 0.41 -1.26 -4.89 118.70 121.22 1ioz s GLU 126 Ca -0.03 1.67 -0.02 0.00 -0.41 0.00 0.00 54.97 56.18 1ioz s GLU 126 Cb -0.18 -2.57 0.41 0.00 -1.78 0.00 0.00 34.13 30.01 1ioz s GLU 126 CO -0.06 -0.27 1.88 0.77 -0.49 0.00 0.00 175.26 177.09 1ioz h SER 127 N 2.48 1.04 -1.01 -0.19 0.02 -1.99 -2.10 113.55 111.81 1ioz h SER 127 Ca -0.49 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1ioz h SER 127 Cb 1.23 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1ioz h SER 127 CO 0.62 0.66 0.67 0.03 -1.14 0.00 0.00 176.83 177.67 1ioz h ARG 128 N 1.18 1.31 -0.10 3.45 -0.00 -1.98 0.19 114.38 118.44 1ioz h ARG 128 Ca 0.43 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.98 59.83 1ioz h ARG 128 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 29.97 29.83 1ioz h ARG 128 CO -0.17 0.87 0.06 1.96 0.00 0.00 0.00 179.97 182.69 1ioz h GLN 129 N 1.35 0.13 -0.30 0.04 4.20 -1.77 -0.75 115.11 118.02 1ioz h GLN 129 Ca 0.37 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 1ioz h GLN 129 Cb -0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1ioz h GLN 129 CO -0.08 0.15 0.08 0.00 -0.67 0.00 0.00 178.83 178.31 1ioz h ALA 130 N 0.98 0.39 -0.42 3.87 0.00 -1.27 -1.71 119.26 121.10 1ioz h ALA 130 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ioz h ALA 130 Cb 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1ioz h ALA 130 CO -0.01 0.04 -0.07 1.96 0.00 0.00 0.00 179.25 181.17 1ioz h GLN 131 N 0.32 0.03 -0.82 0.00 4.20 -0.41 0.15 115.11 118.59 1ioz h GLN 131 Ca 0.09 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1ioz h GLN 131 Cb 0.26 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1ioz h GLN 131 CO -0.00 0.02 0.35 -0.44 -0.67 0.00 0.00 178.83 178.09 1ioz h ASP 132 N 0.03 1.11 -0.24 1.46 3.32 -0.97 -0.49 116.42 120.65 1ioz h ASP 132 Ca 0.21 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1ioz h ASP 132 Cb 0.31 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ioz h ASP 132 CO -0.41 0.97 0.06 0.25 -1.72 0.00 0.00 179.24 178.39 1ioz h LEU 133 N 1.19 0.35 -0.46 1.55 5.85 -0.34 -0.83 115.31 122.62 1ioz h LEU 133 Ca 0.28 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ioz h LEU 133 Cb 0.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1ioz h LEU 133 CO -0.03 0.48 0.25 0.00 -0.34 0.00 0.00 178.44 178.80 1ioz h ALA 134 N 0.88 0.58 -0.84 1.25 0.00 -0.53 -0.33 119.26 120.27 1ioz h ALA 134 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ioz h ALA 134 Cb 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1ioz h ALA 134 CO -0.00 -0.09 0.56 -0.09 0.00 0.00 0.00 179.25 179.62 1ioz h ARG 135 N 0.49 1.05 -0.28 0.00 2.43 -0.85 0.38 114.38 117.61 1ioz h ARG 135 Ca 0.19 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1ioz h ARG 135 Cb 0.07 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1ioz h ARG 135 CO -0.12 0.70 -0.08 1.03 -1.51 0.00 0.00 179.97 179.99 1ioz h SER 136 N 1.09 0.42 1.57 -3.80 0.87 0.08 -1.58 113.55 112.19 1ioz h SER 136 Ca 0.33 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1ioz h SER 136 Cb -0.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1ioz h SER 136 CO -0.09 0.54 -0.13 1.88 -0.53 0.00 0.00 176.83 178.51 1ioz h TYR 137 N 0.42 0.00 -0.38 2.24 0.05 0.70 -3.47 116.97 116.53 1ioz h TYR 137 Ca 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1ioz h TYR 137 Cb 0.40 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1ioz h TYR 137 CO 0.01 0.00 -0.05 0.41 -1.05 0.00 0.00 178.16 177.48 1ioz n GLY 138 N 1.23 0.33 3.35 3.88 0.00 0.11 -5.06 105.19 109.03 1ioz n GLY 138 Ca 0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1ioz n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ioz s ILE 139 N -2.17 1.29 0.60 -0.61 -4.36 -0.56 -5.01 121.20 110.38 1ioz s ILE 139 Ca 0.00 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.17 1ioz s ILE 139 Cb -0.00 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 1ioz s ILE 139 CO 0.01 -0.41 1.04 -2.84 0.24 0.00 0.00 174.94 172.97 1ioz s PRO 140 N -3.79 3.40 -0.08 0.37 0.02 -1.26 -4.15 135.00 129.52 1ioz s PRO 140 Ca 0.26 1.09 0.04 0.00 0.02 0.00 0.00 61.00 62.41 1ioz s PRO 140 Cb 0.04 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1ioz s PRO 140 CO 0.08 -0.73 -0.20 -0.47 -0.33 0.00 0.00 177.00 175.35 1ioz s TYR 141 N -2.63 2.09 -0.03 6.54 5.04 -1.26 -1.06 117.35 126.04 1ioz s TYR 141 Ca 0.61 -0.77 -0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1ioz s TYR 141 Cb -0.14 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.78 1ioz s TYR 141 CO 0.40 -0.31 0.03 0.42 -1.34 0.00 0.00 175.55 174.75 1ioz s ILE 142 N 0.32 -0.03 0.06 3.14 1.01 -0.44 -4.98 121.20 120.27 1ioz s ILE 142 Ca -0.13 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1ioz s ILE 142 Cb -0.16 -0.13 -0.06 0.00 0.01 0.00 0.00 42.46 42.12 1ioz s ILE 142 CO 0.06 0.12 0.49 -1.61 0.00 0.00 0.00 174.94 174.00 1ioz s GLU 143 N 1.32 4.02 0.28 2.79 2.02 -1.26 -1.87 118.70 126.00 1ioz s GLU 143 Ca -0.06 0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.48 1ioz s GLU 143 Cb -0.13 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1ioz s GLU 143 CO -0.03 0.63 0.13 0.95 0.02 0.00 0.00 175.26 176.96 1ioz s THR 144 N -1.18 0.43 -0.23 3.63 -4.23 -0.27 -4.40 115.64 109.39 1ioz s THR 144 Ca 0.29 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1ioz s THR 144 Cb -0.17 -2.57 0.12 0.00 1.34 0.00 0.00 72.50 71.22 1ioz s THR 144 CO 0.17 0.00 0.30 -0.55 -0.54 0.00 0.00 174.62 174.00 1ioz s SER 145 N -3.34 0.90 0.51 3.99 0.15 -0.38 -1.39 113.70 114.13 1ioz s SER 145 Ca 0.36 -0.08 0.30 0.00 0.70 0.00 0.00 55.95 57.23 1ioz s SER 145 Cb 0.06 0.72 1.16 0.00 -1.71 0.00 0.00 66.02 66.26 1ioz s SER 145 CO 0.15 -0.32 1.91 0.00 1.20 0.00 0.00 173.24 176.19 1ioz h ALA 146 N 8.25 1.01 0.07 5.45 0.00 -1.90 0.81 119.26 132.95 1ioz h ALA 146 Ca -0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ioz h ALA 146 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ioz h ALA 146 CO 0.28 0.09 -0.03 -0.22 0.00 0.00 0.00 179.25 179.37 1ioz h LYS 147 N 0.00 -0.09 0.00 0.00 3.64 -1.94 -3.34 116.57 114.84 1ioz h LYS 147 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ioz h LYS 147 Cb 0.61 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ioz h LYS 147 CO 0.01 0.45 -0.94 0.25 -2.27 0.00 0.00 179.45 176.95 1ioz n THR 148 N -4.85 0.14 -0.88 1.00 -2.24 -1.20 -4.72 114.28 101.53 1ioz n THR 148 Ca -0.08 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1ioz n THR 148 Cb 0.29 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ioz n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ioz n ARG 149 N -1.88 0.00 -1.66 -0.78 0.63 0.28 -5.01 116.66 108.24 1ioz n ARG 149 Ca 0.03 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.50 1ioz n ARG 149 Cb 0.42 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 31.08 1ioz n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ioz n GLN 150 N -2.02 1.99 -0.47 -0.14 7.27 -1.06 -2.20 117.38 120.75 1ioz n GLN 150 Ca 0.00 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.78 1ioz n GLN 150 Cb 0.00 -2.40 0.00 0.00 2.41 0.00 0.00 30.24 30.25 1ioz n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ioz n GLY 151 N 2.58 0.24 0.20 1.69 0.00 -1.26 -1.25 105.19 107.38 1ioz n GLY 151 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1ioz n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ioz h VAL 152 N 0.00 0.69 -0.90 1.61 2.07 -1.74 0.48 116.25 118.47 1ioz h VAL 152 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1ioz h VAL 152 Cb 0.00 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1ioz h VAL 152 CO 0.00 0.01 0.49 -0.08 0.02 0.00 0.00 177.57 178.01 1ioz h GLU 153 N -0.45 1.25 -0.46 1.57 4.81 -1.89 -2.21 114.58 117.20 1ioz h GLU 153 Ca -0.04 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1ioz h GLU 153 Cb 0.34 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1ioz h GLU 153 CO 0.07 0.91 0.21 0.22 -0.73 0.00 0.00 179.01 179.70 1ioz h ASP 154 N 1.26 0.29 0.46 1.04 -0.00 -1.88 -0.28 116.42 117.31 1ioz h ASP 154 Ca 0.32 0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.37 1ioz h ASP 154 Cb 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 1ioz h ASP 154 CO -0.05 0.21 -0.35 0.00 -0.00 0.00 0.00 179.24 179.04 1ioz h ALA 155 N 1.26 -0.82 -0.54 -0.78 0.00 -0.29 0.46 119.26 118.55 1ioz h ALA 155 Ca 0.20 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ioz h ALA 155 Cb 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ioz h ALA 155 CO -0.16 -0.99 0.01 0.74 0.00 0.00 0.00 179.25 178.85 1ioz h PHE 156 N -0.80 1.02 -0.28 0.00 -1.00 -1.40 -2.63 116.94 111.84 1ioz h PHE 156 Ca -0.05 -0.17 -0.10 0.00 2.81 0.00 0.00 57.97 60.46 1ioz h PHE 156 Cb 0.68 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1ioz h PHE 156 CO -0.15 0.93 -0.24 1.88 -1.61 0.00 0.00 178.31 179.12 1ioz h TYR 157 N 0.82 0.61 -0.63 -0.55 -1.99 -1.01 -1.93 116.97 112.28 1ioz h TYR 157 Ca 0.15 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 1ioz h TYR 157 Cb 0.51 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 1ioz h TYR 157 CO 0.04 0.74 0.10 1.15 -0.00 0.00 0.00 178.16 180.19 1ioz h THR 158 N 0.48 1.26 -0.66 -2.88 2.02 -0.81 -1.51 112.91 110.81 1ioz h THR 158 Ca 0.07 -1.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1ioz h THR 158 Cb 0.67 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1ioz h THR 158 CO 0.05 0.38 0.11 0.25 0.37 0.00 0.00 175.52 176.68 1ioz h LEU 159 N 0.97 1.04 -0.67 2.58 5.85 -1.09 -0.91 115.31 123.09 1ioz h LEU 159 Ca 0.20 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ioz h LEU 159 Cb 0.42 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ioz h LEU 159 CO 0.01 1.03 0.40 0.58 -0.34 0.00 0.00 178.44 180.12 1ioz h VAL 160 N 1.01 1.19 -0.57 1.05 2.07 -1.03 -0.50 116.25 119.47 1ioz h VAL 160 Ca 0.20 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1ioz h VAL 160 Cb 0.43 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1ioz h VAL 160 CO 0.01 0.20 0.18 0.03 0.02 0.00 0.00 177.57 178.02 1ioz h ARG 161 N 0.91 0.85 -0.66 1.57 3.08 -0.85 0.20 114.38 119.48 1ioz h ARG 161 Ca 0.24 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1ioz h ARG 161 Cb -0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1ioz h ARG 161 CO -0.04 0.73 0.22 0.93 -1.07 0.00 0.00 179.97 180.73 1ioz h GLU 162 N 0.83 1.01 -0.41 0.04 4.39 -0.50 -0.38 114.58 119.56 1ioz h GLU 162 Ca 0.19 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1ioz h GLU 162 Cb 0.23 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1ioz h GLU 162 CO -0.01 0.88 -0.06 0.82 -1.16 0.00 0.00 179.01 179.47 1ioz h ILE 163 N 0.95 1.27 -0.22 3.13 2.04 -0.37 -1.00 117.51 123.30 1ioz h ILE 163 Ca 0.21 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1ioz h ILE 163 Cb 0.28 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1ioz h ILE 163 CO -0.01 0.38 0.03 -0.09 0.00 0.00 0.00 178.15 178.46 1ioz h ARG 164 N 0.59 0.11 -0.80 2.37 9.65 -0.30 -0.38 114.38 125.61 1ioz h ARG 164 Ca 0.11 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1ioz h ARG 164 Cb 0.57 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1ioz h ARG 164 CO 0.03 0.07 0.38 1.96 2.80 0.00 0.00 179.97 185.22 1ioz h GLN 165 N 0.11 1.16 -0.65 0.20 1.08 -0.96 -1.65 115.11 114.40 1ioz h GLN 165 Ca 0.10 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1ioz h GLN 165 Cb 0.11 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1ioz h GLN 165 CO -0.15 0.89 0.37 1.25 -0.95 0.00 0.00 178.83 180.24 1ioz h HIS 166 N 1.15 0.88 -0.44 2.96 2.76 -0.55 -2.65 115.15 119.25 1ioz h HIS 166 Ca 0.28 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1ioz h HIS 166 Cb 0.12 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1ioz h HIS 166 CO 0.01 0.62 -0.18 0.87 -1.30 0.00 0.00 177.93 177.95 1ioz h LYS 167 N 0.89 0.85 0.00 5.26 1.57 -0.69 -3.07 116.57 121.37 1ioz h LYS 167 Ca 0.23 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ioz h LYS 167 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1ioz h LYS 167 CO -0.04 0.96 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.67 1ioz h LEU 168 N 0.75 0.00 0.00 2.94 4.07 -1.04 -3.52 115.31 118.51 1ioz h LEU 168 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1ioz h LEU 168 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1ioz h LEU 168 CO 0.05 0.06 0.00 0.54 -1.08 0.00 0.00 178.44 178.01