#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aou n ILE 2 N 0.00 0.00 -0.27 -1.33 -5.35 -1.26 -4.78 119.36 106.37 1aou n ILE 2 Ca 0.00 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 1aou n ILE 2 Cb 0.00 -0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 37.58 1aou n ILE 2 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1aou h GLN 3 N -1.23 -0.20 -2.84 6.28 5.75 -1.94 -3.47 115.11 117.45 1aou h GLN 3 Ca -0.44 0.01 0.27 0.00 -0.15 0.00 0.00 58.65 58.34 1aou h GLN 3 Cb 1.30 0.05 -0.13 0.00 1.07 0.00 0.00 27.48 29.77 1aou h GLN 3 CO 0.27 -0.13 -0.82 0.00 -2.65 0.00 0.00 178.83 175.50 1aou n ALA 4 N -3.17 -3.24 -1.09 3.38 0.00 -1.26 -4.72 120.51 110.42 1aou n ALA 4 Ca -0.01 0.61 -0.03 0.00 0.00 0.00 0.00 53.44 54.02 1aou n ALA 4 Cb 0.31 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1aou n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aou n GLU 5 N -3.87 -1.19 0.15 0.00 -0.58 -0.26 -4.59 120.64 110.30 1aou n GLU 5 Ca -0.05 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 1aou n GLU 5 Cb 0.58 -4.45 0.00 0.00 -0.57 0.00 0.00 31.44 27.00 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1aou n GLU 6 N -0.95 0.00 -0.09 3.49 1.02 -1.26 -4.28 120.64 118.57 1aou n GLU 6 Ca -0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1aou n GLU 6 Cb 0.35 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.81 1aou n GLU 6 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1aou n TRP 7 N -3.30 0.00 -3.67 -0.32 4.27 -1.26 -4.48 117.44 108.68 1aou n TRP 7 Ca 0.00 -0.53 -0.09 0.00 -3.89 0.00 0.00 57.50 52.99 1aou n TRP 7 Cb 0.00 -0.08 -0.10 0.00 -1.36 0.00 0.00 31.31 29.77 1aou n TRP 7 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1aou s TYR 8 N -1.37 -0.74 -0.17 -2.67 6.14 -1.26 0.27 117.35 117.55 1aou s TYR 8 Ca 0.11 1.47 0.10 0.00 0.64 0.00 0.00 57.07 59.39 1aou s TYR 8 Cb 0.10 0.32 -0.23 0.00 0.42 0.00 0.00 41.96 42.57 1aou s TYR 8 CO 0.01 -0.43 0.16 1.19 0.64 0.00 0.00 175.55 177.12 1aou n PHE 9 N 4.81 0.36 0.00 4.97 3.01 -0.61 -1.11 117.46 128.90 1aou n PHE 9 Ca -0.16 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1aou n PHE 9 Cb 0.53 -1.06 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1aou n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aou n GLY 10 N 1.86 0.66 2.91 1.37 0.00 -1.26 -4.86 105.19 105.87 1aou n GLY 10 Ca -0.33 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1aou n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aou n LYS 11 N 0.00 4.10 -4.11 1.61 5.02 -1.26 -1.65 118.16 121.87 1aou n LYS 11 Ca 0.00 -4.58 -0.24 0.00 -2.02 0.00 0.00 58.31 51.47 1aou n LYS 11 Cb 0.00 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 32.47 1aou n LYS 11 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1aou s LEU 12 N -2.70 3.15 0.00 -0.35 2.96 -1.26 -4.70 118.68 115.78 1aou s LEU 12 Ca 0.33 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1aou s LEU 12 Cb 0.06 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1aou s LEU 12 CO 0.08 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1aou n GLY 13 N -1.21 4.80 0.11 7.98 0.00 -1.26 -2.71 105.19 112.89 1aou n GLY 13 Ca -0.01 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.03 1aou n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1aou n ARG 14 N -0.08 0.61 0.03 1.61 -4.01 -1.26 -2.87 116.66 110.69 1aou n ARG 14 Ca 0.00 0.14 -0.20 0.00 -1.04 0.00 0.00 57.85 56.75 1aou n ARG 14 Cb 0.00 -1.81 -0.10 0.00 -3.04 0.00 0.00 32.46 27.50 1aou n ARG 14 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 1aou h LYS 15 N 0.00 0.66 0.02 2.89 3.64 -1.99 -2.53 116.57 119.25 1aou h LYS 15 Ca -0.05 -0.71 -0.23 0.00 -1.27 0.00 0.00 60.65 58.40 1aou h LYS 15 Cb 1.16 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1aou h LYS 15 CO 0.01 1.29 -0.98 0.22 -2.27 0.00 0.00 179.45 177.73 1aou h ASP 16 N 0.32 0.50 -0.68 4.20 1.82 -1.97 -2.63 116.42 117.97 1aou h ASP 16 Ca -0.12 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1aou h ASP 16 Cb 1.63 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 41.45 1aou h ASP 16 CO 0.19 1.23 0.39 0.00 -1.61 0.00 0.00 179.24 179.44 1aou h ALA 17 N 0.73 1.38 -0.05 -0.78 0.00 -1.55 0.11 119.26 119.10 1aou h ALA 17 Ca -0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1aou h ALA 17 Cb 1.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1aou h ALA 17 CO 0.17 0.52 -0.78 1.05 0.00 0.00 0.00 179.25 180.21 1aou h GLU 18 N 0.97 0.34 0.00 0.00 4.11 -1.41 -2.40 114.58 116.18 1aou h GLU 18 Ca 0.25 -0.30 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1aou h GLU 18 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1aou h GLU 18 CO -0.04 0.96 -0.17 0.00 0.07 0.00 0.00 179.01 179.83 1aou h ARG 19 N 0.22 0.00 0.21 1.06 3.08 -0.98 -1.52 114.38 116.45 1aou h ARG 19 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 1aou h ARG 19 Cb 1.36 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.43 1aou h ARG 19 CO 0.13 0.17 -1.62 0.37 -1.07 0.00 0.00 179.97 177.94 1aou h GLN 20 N 0.00 0.45 0.11 0.04 5.75 -0.71 -2.35 115.11 118.40 1aou h GLN 20 Ca -0.00 -0.77 -0.01 0.00 -0.15 0.00 0.00 58.65 57.72 1aou h GLN 20 Cb 0.93 0.29 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1aou h GLN 20 CO 0.02 1.36 -0.05 -0.07 -2.65 0.00 0.00 178.83 177.44 1aou h LEU 21 N 0.12 -0.13 -0.69 -2.39 4.07 -1.45 -3.21 115.31 111.64 1aou h LEU 21 Ca -0.30 -0.44 0.05 0.00 0.08 0.00 0.00 57.88 57.27 1aou h LEU 21 Cb 2.13 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 43.85 1aou h LEU 21 CO 0.22 0.47 0.41 -0.07 -1.08 0.00 0.00 178.44 178.39 1aou h LEU 22 N -0.84 0.63 -0.01 1.67 3.38 -1.44 -3.05 115.31 115.65 1aou h LEU 22 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aou h LEU 22 Cb 0.56 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1aou h LEU 22 CO 0.03 0.42 -0.01 0.28 0.09 0.00 0.00 178.44 179.25 1aou h SER 23 N 0.77 -0.04 0.00 -0.43 0.02 -1.47 -3.45 113.55 108.94 1aou h SER 23 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1aou h SER 23 Cb 0.12 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1aou h SER 23 CO -0.15 -0.01 0.00 0.33 -1.14 0.00 0.00 176.83 175.86 1aou n PHE 24 N -2.83 0.00 0.00 3.45 7.35 -1.15 -5.06 117.46 119.22 1aou n PHE 24 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1aou n PHE 24 Cb 0.01 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.84 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aou n GLY 25 N 0.00 0.03 0.00 7.13 0.00 -1.26 -4.88 105.19 106.21 1aou n GLY 25 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1aou n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aou n ASN 26 N -0.40 0.00 -2.71 1.61 4.13 -1.26 -5.01 115.26 111.61 1aou n ASN 26 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1aou n ASN 26 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1aou n ASN 26 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1aou n PRO 27 N -0.81 0.56 -1.01 3.52 -0.04 -1.26 -4.84 135.00 131.12 1aou n PRO 27 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1aou n PRO 27 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1aou n PRO 27 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1aou n ARG 28 N -0.41 -0.03 -0.37 0.54 0.63 -1.26 -3.24 116.66 112.52 1aou n ARG 28 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1aou n ARG 28 Cb 0.00 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1aou n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aou n GLY 29 N 2.65 0.77 2.76 5.14 0.00 -1.21 -4.97 105.19 110.34 1aou n GLY 29 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1aou n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aou n THR 30 N -2.26 5.65 -3.15 2.61 -1.04 -1.20 -1.84 114.28 113.05 1aou n THR 30 Ca 0.00 -5.94 -0.37 0.00 -2.04 0.00 0.00 64.05 55.70 1aou n THR 30 Cb 0.00 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 66.74 1aou n THR 30 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1aou s PHE 31 N -3.79 3.71 0.00 -1.42 0.08 -1.26 -2.44 117.98 112.86 1aou s PHE 31 Ca 0.37 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1aou s PHE 31 Cb 0.15 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1aou s PHE 31 CO -0.05 0.43 0.00 1.47 -0.10 0.00 0.00 175.22 176.96 1aou n LEU 32 N 1.06 0.00 -4.33 -0.37 -0.00 -0.69 1.00 117.00 113.67 1aou n LEU 32 Ca -0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.78 1aou n LEU 32 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 1aou n LEU 32 CO 0.43 0.00 -0.22 -0.63 -0.00 0.00 0.00 177.39 176.97 1aou s ILE 33 N -1.35 0.44 0.00 1.47 1.01 0.77 0.37 121.20 123.91 1aou s ILE 33 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1aou s ILE 33 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1aou s ILE 33 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 172.83 1aou n ARG 34 N -0.54 0.00 -2.54 2.79 1.85 -0.88 -1.57 116.66 115.78 1aou n ARG 34 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1aou n ARG 34 Cb 0.65 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.04 1aou n ARG 34 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1aou s GLU 35 N -2.00 4.42 -0.06 2.89 -1.05 -0.66 0.17 118.70 122.42 1aou s GLU 35 Ca 0.00 1.60 -0.30 0.00 -0.15 0.00 0.00 54.97 56.12 1aou s GLU 35 Cb 0.00 -3.49 -0.03 0.00 -0.44 0.00 0.00 34.13 30.17 1aou s GLU 35 CO 0.00 -0.31 1.10 -1.12 0.95 0.00 0.00 175.26 175.89 1aou s SER 36 N 1.23 7.16 -0.05 0.83 0.01 -0.02 -4.06 113.70 118.79 1aou s SER 36 Ca 0.54 1.71 0.09 0.00 1.31 0.00 0.00 55.95 59.61 1aou s SER 36 Cb -0.24 -2.56 0.35 0.00 0.21 0.00 0.00 66.02 63.78 1aou s SER 36 CO 0.24 -0.48 1.19 -0.62 0.41 0.00 0.00 173.24 173.97 1aou n GLU 37 N 4.85 2.29 0.08 12.44 -0.58 -1.26 -3.02 120.64 135.43 1aou n GLU 37 Ca 0.09 -1.38 -0.21 0.00 -0.42 0.00 0.00 57.16 55.24 1aou n GLU 37 Cb 0.48 -1.54 -0.15 0.00 -0.57 0.00 0.00 31.44 29.66 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aou h THR 38 N 2.00 1.42 -4.65 2.62 1.03 -1.96 -3.47 112.91 109.90 1aou h THR 38 Ca 0.00 -2.54 -0.16 0.00 -0.01 0.00 0.00 66.41 63.70 1aou h THR 38 Cb 0.80 3.06 -0.01 0.00 -1.07 0.00 0.00 68.15 70.93 1aou h THR 38 CO 0.11 0.74 -0.06 1.07 -0.01 0.00 0.00 175.52 177.36 1aou n THR 39 N -3.98 0.00 -0.38 0.00 5.66 -1.25 -4.94 114.28 109.38 1aou n THR 39 Ca -0.14 -0.63 0.30 0.00 -3.05 0.00 0.00 64.05 60.52 1aou n THR 39 Cb 0.91 -0.55 0.56 0.00 -1.55 0.00 0.00 70.33 69.70 1aou n THR 39 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1aou h LYS 40 N 0.00 0.20 0.00 1.09 1.79 -1.90 -3.39 116.57 114.36 1aou h LYS 40 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1aou h LYS 40 Cb 0.38 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1aou h LYS 40 CO 0.15 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 179.06 1aou n GLY 41 N -1.42 -1.74 0.00 3.86 0.00 -1.26 -5.02 105.19 99.61 1aou n GLY 41 Ca 0.33 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.08 1aou n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aou n ALA 42 N 0.00 0.00 -3.63 4.61 0.00 -1.17 -4.83 120.51 115.49 1aou n ALA 42 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1aou n ALA 42 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1aou n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1aou n TYR 43 N -0.73 -1.14 -3.71 0.00 4.01 -0.72 -0.84 117.16 114.03 1aou n TYR 43 Ca 0.00 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.90 57.52 1aou n TYR 43 Cb 0.00 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1aou n TYR 43 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1aou s SER 44 N -1.18 -0.35 -0.35 7.72 0.15 0.46 -1.09 113.70 119.06 1aou s SER 44 Ca 0.01 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.28 1aou s SER 44 Cb -0.00 0.67 0.15 0.00 -1.71 0.00 0.00 66.02 65.13 1aou s SER 44 CO 0.01 -1.20 0.33 -0.22 1.20 0.00 0.00 173.24 173.37 1aou s LEU 45 N -2.86 0.04 1.02 3.45 2.96 -0.20 -2.07 118.68 121.03 1aou s LEU 45 Ca 0.08 -1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 52.39 1aou s LEU 45 Cb -0.04 0.41 0.20 0.00 0.50 0.00 0.00 46.19 47.26 1aou s LEU 45 CO 0.00 -0.30 1.10 -0.55 -1.32 0.00 0.00 176.35 175.29 1aou s SER 46 N 1.60 2.46 -0.32 3.68 0.15 0.16 -0.72 113.70 120.72 1aou s SER 46 Ca 0.15 1.06 0.04 0.00 0.70 0.00 0.00 55.95 57.90 1aou s SER 46 Cb -0.16 -1.66 0.17 0.00 -1.71 0.00 0.00 66.02 62.66 1aou s SER 46 CO -0.10 -3.22 0.47 -0.51 1.20 0.00 0.00 173.24 171.08 1aou s ILE 47 N -3.02 -0.71 0.43 6.45 -1.16 -0.56 -1.70 121.20 120.93 1aou s ILE 47 Ca 0.66 -0.30 -0.26 0.00 -0.51 0.00 0.00 60.65 60.24 1aou s ILE 47 Cb -0.17 -0.80 -0.09 0.00 0.61 0.00 0.00 42.46 42.01 1aou s ILE 47 CO 0.57 -0.23 1.44 -0.60 -2.81 0.00 0.00 174.94 173.31 1aou s ARG 48 N 2.33 3.80 -0.38 3.50 3.00 -1.02 -1.70 118.95 128.48 1aou s ARG 48 Ca 0.12 2.46 0.12 0.00 -1.00 0.00 0.00 55.73 57.43 1aou s ARG 48 Cb -0.11 -2.74 0.38 0.00 0.00 0.00 0.00 34.95 32.48 1aou s ARG 48 CO -0.22 -0.75 0.93 -3.47 0.00 0.00 0.00 175.30 171.79 1aou n ASP 49 N -0.02 0.10 -4.65 -2.12 2.03 -1.04 -3.32 116.55 107.52 1aou n ASP 49 Ca 0.04 -3.01 -0.31 0.00 0.52 0.00 0.00 54.79 52.04 1aou n ASP 49 Cb 0.41 0.06 0.17 0.00 -0.72 0.00 0.00 41.12 41.04 1aou n ASP 49 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1aou s TRP 50 N -1.82 1.63 0.05 -0.67 -0.00 -1.26 -4.29 118.94 112.59 1aou s TRP 50 Ca 0.31 1.69 -0.08 0.00 -0.00 0.00 0.00 56.10 58.03 1aou s TRP 50 Cb 0.37 -3.29 -0.00 0.00 -0.00 0.00 0.00 33.47 30.55 1aou s TRP 50 CO -0.04 -2.91 0.15 0.34 -0.00 0.00 0.00 176.95 174.49 1aou s ASP 51 N -2.70 0.12 -0.23 5.86 2.15 -0.62 -4.49 116.67 116.76 1aou s ASP 51 Ca 0.67 -0.53 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 1aou s ASP 51 Cb -0.23 0.28 0.10 0.00 -0.30 0.00 0.00 42.92 42.78 1aou s ASP 51 CO 0.59 -0.60 2.25 -0.67 -0.17 0.00 0.00 175.17 176.57 1aou n ASP 52 N 0.46 6.10 -0.95 -0.34 -0.08 -1.26 -3.18 116.55 117.29 1aou n ASP 52 Ca -0.17 -2.88 -0.06 0.00 -1.51 0.00 0.00 54.79 50.17 1aou n ASP 52 Cb 0.60 -1.13 -0.06 0.00 2.34 0.00 0.00 41.12 42.87 1aou n ASP 52 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1aou n MET 53 N 0.88 0.00 0.00 -0.67 0.00 -1.26 -4.97 117.12 111.10 1aou n MET 53 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 57.70 57.07 1aou n MET 53 Cb 0.58 0.48 0.00 0.00 0.00 0.00 0.00 33.22 34.28 1aou n MET 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1aou n LYS 54 N 0.00 0.00 0.00 3.17 2.85 -1.24 -5.16 118.16 117.78 1aou n LYS 54 Ca -0.25 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 1aou n LYS 54 Cb 0.66 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.04 1aou n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aou n GLY 55 N -0.01 0.30 3.93 2.58 0.00 -1.19 -5.01 105.19 105.79 1aou n GLY 55 Ca 0.00 -2.30 -0.27 0.00 0.00 0.00 0.00 46.02 43.45 1aou n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aou s ASP 56 N -4.00 4.50 0.27 1.61 1.11 -1.26 -1.59 116.67 117.31 1aou s ASP 56 Ca 0.00 0.45 -0.15 0.00 0.18 0.00 0.00 52.55 53.03 1aou s ASP 56 Cb 0.00 -0.97 0.06 0.00 1.07 0.00 0.00 42.92 43.08 1aou s ASP 56 CO 0.00 -1.83 0.78 1.41 1.18 0.00 0.00 175.17 176.71 1aou n HIS 57 N -3.11 -1.83 -3.64 4.23 8.25 -1.26 -4.82 115.22 113.04 1aou n HIS 57 Ca 0.09 -1.42 -0.07 0.00 -0.26 0.00 0.00 57.72 56.06 1aou n HIS 57 Cb 0.60 0.71 -0.07 0.00 1.12 0.00 0.00 29.99 32.35 1aou n HIS 57 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aou s VAL 58 N -2.18 0.00 0.37 1.59 1.01 -1.26 -2.50 120.40 117.43 1aou s VAL 58 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1aou s VAL 58 Cb -0.04 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1aou s VAL 58 CO 0.08 0.00 0.27 1.17 0.00 0.00 0.00 175.10 176.62 1aou n LYS 59 N 4.15 0.95 -3.68 2.72 3.00 -0.69 -4.91 118.16 119.70 1aou n LYS 59 Ca -0.19 -2.29 -0.15 0.00 -0.00 0.00 0.00 58.31 55.68 1aou n LYS 59 Cb 0.59 0.25 -0.08 0.00 0.00 0.00 0.00 35.03 35.78 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1aou s HIS 60 N -1.81 -0.34 -0.36 5.64 3.76 -1.26 -1.50 115.29 119.42 1aou s HIS 60 Ca 0.21 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.68 1aou s HIS 60 Cb -0.02 0.20 0.11 0.00 1.11 0.00 0.00 32.58 33.99 1aou s HIS 60 CO 0.13 -0.46 0.14 0.71 -0.85 0.00 0.00 174.74 174.41 1aou s TYR 61 N -1.28 2.07 -0.09 1.40 2.02 0.10 -4.94 117.35 116.64 1aou s TYR 61 Ca -0.13 -2.14 -0.36 0.00 -0.37 0.00 0.00 57.07 54.07 1aou s TYR 61 Cb -0.04 -1.94 -0.14 0.00 -0.40 0.00 0.00 41.96 39.45 1aou s TYR 61 CO 0.06 -0.86 1.75 1.17 -1.57 0.00 0.00 175.55 176.10 1aou n LYS 62 N 4.33 1.80 -3.28 -0.62 0.00 -1.26 -1.03 118.16 118.09 1aou n LYS 62 Ca 0.02 0.66 -0.39 0.00 0.00 0.00 0.00 58.31 58.60 1aou n LYS 62 Cb 0.39 -2.43 -0.06 0.00 0.00 0.00 0.00 35.03 32.94 1aou n LYS 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1aou s ILE 63 N 3.12 4.81 -0.09 3.15 1.01 -0.25 -4.64 121.20 128.31 1aou s ILE 63 Ca 0.91 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.77 1aou s ILE 63 Cb -0.82 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 37.78 1aou s ILE 63 CO 0.53 0.53 -0.18 -0.60 0.00 0.00 0.00 174.94 175.22 1aou s ARG 64 N -0.88 2.37 -0.11 2.79 6.06 -1.00 -1.76 118.95 126.42 1aou s ARG 64 Ca 0.29 -0.63 -0.02 0.00 -2.50 0.00 0.00 55.73 52.86 1aou s ARG 64 Cb -0.19 -1.90 -0.03 0.00 0.06 0.00 0.00 34.95 32.89 1aou s ARG 64 CO 0.18 0.05 -0.02 0.21 -2.50 0.00 0.00 175.30 173.22 1aou s LYS 65 N 0.66 3.18 0.45 5.12 2.20 -1.26 -1.64 119.74 128.45 1aou s LYS 65 Ca -0.13 -0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 1aou s LYS 65 Cb -0.16 -2.81 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1aou s LYS 65 CO 0.04 0.54 1.07 -0.51 -0.36 0.00 0.00 175.35 176.13 1aou s LEU 66 N -0.45 3.97 0.45 5.43 1.02 -0.31 -4.83 118.68 123.96 1aou s LEU 66 Ca 0.08 2.05 0.30 0.00 0.02 0.00 0.00 54.13 56.58 1aou s LEU 66 Cb -0.12 -4.37 1.16 0.00 0.02 0.00 0.00 46.19 42.88 1aou s LEU 66 CO 0.02 -0.73 1.87 0.44 0.02 0.00 0.00 176.35 177.97 1aou h ASP 67 N 1.96 0.00 0.19 2.29 5.19 -1.98 -0.89 116.42 123.18 1aou h ASP 67 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1aou h ASP 67 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1aou h ASP 67 CO 0.60 0.00 -0.22 0.59 -3.12 0.00 0.00 179.24 177.09 1aou n ASN 68 N -2.84 1.14 -0.01 6.45 3.02 -1.26 -4.95 115.26 116.80 1aou n ASN 68 Ca 0.01 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1aou n ASN 68 Cb 0.31 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1aou n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aou n GLY 69 N 1.32 0.69 2.94 7.41 0.00 -0.34 -5.11 105.19 112.10 1aou n GLY 69 Ca 0.13 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1aou n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aou s GLY 70 N -0.01 -0.61 -0.16 -0.02 0.00 -1.16 -4.58 107.32 100.78 1aou s GLY 70 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 1aou s GLY 70 CO 0.00 3.19 1.13 -0.19 0.00 0.00 0.00 173.10 177.23 1aou s TYR 71 N 1.50 3.19 -0.25 1.90 2.02 -0.11 -1.17 117.35 124.44 1aou s TYR 71 Ca 0.18 1.30 -0.14 0.00 -0.37 0.00 0.00 57.07 58.05 1aou s TYR 71 Cb -0.08 -3.36 0.08 0.00 -0.40 0.00 0.00 41.96 38.19 1aou s TYR 71 CO -0.05 -0.97 0.60 1.52 -1.57 0.00 0.00 175.55 175.08 1aou s TYR 72 N 2.91 -0.93 -0.14 2.71 1.13 -0.65 0.79 117.35 123.15 1aou s TYR 72 Ca 0.50 1.88 0.16 0.00 -1.41 0.00 0.00 57.07 58.20 1aou s TYR 72 Cb -0.19 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1aou s TYR 72 CO 0.14 -0.48 1.17 0.82 -2.51 0.00 0.00 175.55 174.69 1aou h ILE 73 N 5.22 0.68 -3.98 -3.49 2.04 -1.82 -2.66 117.51 113.50 1aou h ILE 73 Ca -0.31 -2.09 -0.35 0.00 1.00 0.00 0.00 64.86 63.10 1aou h ILE 73 Cb 1.21 2.23 -0.27 0.00 -0.74 0.00 0.00 36.82 39.25 1aou h ILE 73 CO 0.20 0.39 -0.76 0.28 0.00 0.00 0.00 178.15 178.25 1aou s THR 74 N -2.96 0.62 -1.03 -0.27 -1.32 -1.26 -4.80 115.64 104.62 1aou s THR 74 Ca 0.01 -0.53 0.02 0.00 -1.21 0.00 0.00 61.69 59.98 1aou s THR 74 Cb 0.08 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 1aou s THR 74 CO 0.78 0.04 1.04 0.35 -2.21 0.00 0.00 174.62 174.62 1aou n THR 75 N 2.52 1.83 0.32 5.08 -2.24 -1.26 -1.63 114.28 118.90 1aou n THR 75 Ca -0.15 0.46 0.15 0.00 -2.27 0.00 0.00 64.05 62.24 1aou n THR 75 Cb 0.57 -1.43 0.65 0.00 -2.10 0.00 0.00 70.33 68.02 1aou n THR 75 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1aou h ARG 76 N 0.00 0.00 -2.06 -0.78 2.43 -1.96 -3.42 114.38 108.58 1aou h ARG 76 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1aou h ARG 76 Cb 0.03 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.37 1aou h ARG 76 CO 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 179.97 178.39 1aou s ALA 77 N -3.56 -1.86 0.39 2.80 0.00 -0.65 -5.17 121.76 113.72 1aou s ALA 77 Ca 0.01 2.30 0.06 0.00 0.00 0.00 0.00 51.96 54.34 1aou s ALA 77 Cb 0.09 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 1aou s ALA 77 CO 0.44 -0.59 0.02 -0.65 0.00 0.00 0.00 175.76 174.98 1aou s GLN 78 N 2.13 1.88 0.00 0.00 -0.21 -1.26 -4.27 119.66 117.94 1aou s GLN 78 Ca -0.08 -2.06 0.00 0.00 0.02 0.00 0.00 55.36 53.24 1aou s GLN 78 Cb -0.08 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.49 1aou s GLN 78 CO -0.19 -0.09 0.00 1.19 -2.12 0.00 0.00 175.29 174.09 1aou n PHE 79 N -0.90 -0.15 -0.08 0.91 3.01 0.24 -4.76 117.46 115.73 1aou n PHE 79 Ca -0.04 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.33 1aou n PHE 79 Cb 0.67 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.02 1aou n PHE 79 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1aou n GLU 80 N 0.00 1.24 -4.26 -1.08 0.28 -1.26 -0.93 120.64 114.63 1aou n GLU 80 Ca 0.00 0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 56.84 1aou n GLU 80 Cb 0.00 -1.40 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 1aou n GLU 80 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1aou s THR 81 N -2.38 0.00 0.09 3.84 -1.32 -1.26 -4.65 115.64 109.96 1aou s THR 81 Ca -0.12 -1.97 0.02 0.00 -1.21 0.00 0.00 61.69 58.41 1aou s THR 81 Cb 0.05 -2.51 -0.24 0.00 -1.51 0.00 0.00 72.50 68.29 1aou s THR 81 CO 0.59 0.00 1.19 -0.07 -2.21 0.00 0.00 174.62 174.12 1aou h LEU 82 N 2.20 0.18 -0.39 9.08 3.38 -1.98 -2.66 115.31 125.13 1aou h LEU 82 Ca -0.27 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.33 1aou h LEU 82 Cb 1.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1aou h LEU 82 CO 0.39 1.15 -0.81 -0.61 0.09 0.00 0.00 178.44 178.65 1aou h GLN 83 N 0.03 0.08 -0.12 1.13 4.15 -1.97 -1.12 115.11 117.29 1aou h GLN 83 Ca -0.07 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 59.10 1aou h GLN 83 Cb 1.86 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 1aou h GLN 83 CO 0.16 0.84 -0.62 1.96 -1.93 0.00 0.00 178.83 179.24 1aou h GLN 84 N 0.05 0.43 0.21 1.69 7.50 -1.95 -2.05 115.11 120.98 1aou h GLN 84 Ca -0.02 -0.30 -0.31 0.00 0.50 0.00 0.00 58.65 58.51 1aou h GLN 84 Cb 1.42 0.05 0.03 0.00 0.05 0.00 0.00 27.48 29.02 1aou h GLN 84 CO 0.11 0.92 -1.40 1.37 -1.50 0.00 0.00 178.83 178.33 1aou h LEU 85 N 0.32 0.69 -2.45 1.46 8.10 -1.43 -2.16 115.31 119.84 1aou h LEU 85 Ca -0.01 -0.74 -0.01 0.00 0.11 0.00 0.00 57.88 57.23 1aou h LEU 85 Cb 1.16 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 41.16 1aou h LEU 85 CO 0.11 1.58 -0.03 -0.37 -4.11 0.00 0.00 178.44 175.62 1aou h VAL 86 N 0.12 0.31 -0.03 0.15 -1.51 -1.18 0.53 116.25 114.64 1aou h VAL 86 Ca -0.21 -0.17 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 1aou h VAL 86 Cb 2.10 1.12 0.01 0.00 -2.13 0.00 0.00 31.29 32.39 1aou h VAL 86 CO 0.25 0.03 -0.46 -0.61 -1.23 0.00 0.00 177.57 175.55 1aou h GLN 87 N 0.00 0.36 -0.17 5.19 5.75 -1.09 0.82 115.11 125.98 1aou h GLN 87 Ca -0.00 -0.35 -0.15 0.00 -0.15 0.00 0.00 58.65 58.00 1aou h GLN 87 Cb 0.12 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1aou h GLN 87 CO 0.00 1.02 -0.49 1.25 -2.65 0.00 0.00 178.83 177.97 1aou h HIS 88 N -0.16 0.81 0.00 3.99 2.76 -0.67 -2.88 115.15 119.01 1aou h HIS 88 Ca -0.05 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1aou h HIS 88 Cb 1.15 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1aou h HIS 88 CO 0.14 1.10 0.00 1.88 -1.30 0.00 0.00 177.93 179.75 1aou h TYR 89 N 0.29 0.00 -0.08 5.26 -1.99 -1.03 -2.26 116.97 117.16 1aou h TYR 89 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1aou h TYR 89 Cb 1.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 1aou h TYR 89 CO 0.10 0.00 -0.06 0.77 -0.00 0.00 0.00 178.16 178.97 1aou h SER 90 N 0.00 0.10 0.00 3.88 0.02 -0.59 -2.33 113.55 114.62 1aou h SER 90 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1aou h SER 90 Cb 0.67 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1aou h SER 90 CO 0.00 0.18 -1.40 -0.62 -1.14 0.00 0.00 176.83 173.85 1aou n GLU 91 N -4.41 0.91 -4.12 3.45 1.02 -1.13 -4.95 120.64 111.41 1aou n GLU 91 Ca -0.02 -0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 56.94 1aou n GLU 91 Cb 0.18 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1aou n GLU 91 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1aou s ARG 92 N -2.95 0.79 -0.17 3.49 0.52 -0.87 -5.06 118.95 114.70 1aou s ARG 92 Ca -0.02 -1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 53.71 1aou s ARG 92 Cb 0.11 0.23 -0.22 0.00 0.52 0.00 0.00 34.95 35.59 1aou s ARG 92 CO 0.70 -0.20 0.26 0.00 0.02 0.00 0.00 175.30 176.08 1aou n ALA 93 N -0.00 0.85 0.00 2.13 0.00 -1.26 -3.95 120.51 118.27 1aou n ALA 93 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1aou n ALA 93 Cb 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1aou n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aou n ALA 94 N -3.26 0.00 0.00 0.00 0.00 -1.26 -4.09 120.51 111.90 1aou n ALA 94 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1aou n ALA 94 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1aou n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aou n GLY 95 N -2.00 1.13 3.84 0.00 0.00 -1.26 -4.97 105.19 101.93 1aou n GLY 95 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1aou n GLY 95 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aou s LEU 96 N 0.00 3.61 0.34 0.99 2.34 -1.26 -4.91 118.68 119.79 1aou s LEU 96 Ca 0.00 1.59 0.14 0.00 0.06 0.00 0.00 54.13 55.92 1aou s LEU 96 Cb 0.00 -4.51 1.11 0.00 -0.56 0.00 0.00 46.19 42.23 1aou s LEU 96 CO 0.00 -0.65 1.61 0.28 -1.06 0.00 0.00 176.35 176.53 1aou h SER 97 N 0.86 0.18 -4.95 1.48 0.02 -2.00 -3.41 113.55 105.73 1aou h SER 97 Ca -0.47 0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1aou h SER 97 Cb 1.19 0.28 -0.20 0.00 0.14 0.00 0.00 62.40 63.81 1aou h SER 97 CO 0.61 -0.32 -0.13 -0.44 -1.14 0.00 0.00 176.83 175.41 1aou s SER 98 N -4.76 -0.34 0.00 3.07 0.01 -1.26 -5.05 113.70 105.36 1aou s SER 98 Ca -0.10 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1aou s SER 98 Cb 0.31 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1aou s SER 98 CO 0.78 -0.48 0.00 -2.11 0.41 0.00 0.00 173.24 171.84 1aou n ARG 99 N 1.23 1.10 -1.21 12.44 1.85 -1.26 -4.98 116.66 125.83 1aou n ARG 99 Ca -0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.64 1aou n ARG 99 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1aou n ARG 99 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1aou n LEU 100 N 0.00 0.00 -4.64 2.89 -0.00 -1.26 -4.80 117.00 109.19 1aou n LEU 100 Ca 0.00 -0.07 -0.63 0.00 -0.00 0.00 0.00 56.01 55.32 1aou n LEU 100 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 43.42 43.32 1aou n LEU 100 CO 0.00 -0.43 1.33 0.55 -0.00 0.00 0.00 177.39 178.84 1aou n VAL 101 N -0.88 0.10 -0.04 1.47 3.14 0.28 -4.33 118.33 118.07 1aou n VAL 101 Ca 0.00 -0.03 -0.19 0.00 -2.96 0.00 0.00 64.34 61.17 1aou n VAL 101 Cb 0.02 -0.78 -0.13 0.00 -1.06 0.00 0.00 33.84 31.89 1aou n VAL 101 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1aou h VAL 102 N 5.50 1.36 0.01 1.55 2.07 -1.62 -3.41 116.25 121.71 1aou h VAL 102 Ca -0.38 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 64.78 1aou h VAL 102 Cb 1.36 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1aou h VAL 102 CO 0.99 0.58 -0.01 1.55 0.02 0.00 0.00 177.57 180.71 1aou h PRO 103 N -0.74 -0.02 -4.92 1.57 0.13 -1.88 -3.50 132.00 122.64 1aou h PRO 103 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1aou h PRO 103 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1aou h PRO 103 CO -0.01 -0.01 -0.82 0.45 -0.23 0.00 0.00 178.00 177.37 1aou n SER 104 N -3.96 -7.39 -1.77 1.44 2.88 -1.26 -4.83 113.62 98.73 1aou n SER 104 Ca -0.00 1.17 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 1aou n SER 104 Cb 0.01 -4.90 0.05 0.00 -0.75 0.00 0.00 64.21 58.62 1aou n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aou n HIS 105 N 0.49 1.40 0.00 0.66 1.44 -1.26 -5.05 115.22 112.90 1aou n HIS 105 Ca 0.02 -1.66 0.00 0.00 -2.01 0.00 0.00 57.72 54.06 1aou n HIS 105 Cb 0.06 -0.82 0.00 0.00 0.12 0.00 0.00 29.99 29.36 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70