#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 1.85 -0.02 -1.33 3.06 -1.26 -4.82 119.36 116.84 1aou n ILE 2 Ca 0.00 -0.50 -0.11 0.00 -2.50 0.00 0.00 62.75 59.64 1aou n ILE 2 Cb 0.00 -0.37 -0.05 0.00 0.54 0.00 0.00 39.64 39.76 1aou n ILE 2 CO 0.00 0.00 0.00 -0.61 -2.50 0.00 0.00 176.55 173.44 1aou h GLN 3 N 1.19 -0.40 -6.15 9.51 4.15 -1.95 -3.47 115.11 117.99 1aou h GLN 3 Ca -0.34 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1aou h GLN 3 Cb 1.41 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 1aou h GLN 3 CO 0.56 -0.27 -0.64 0.00 -1.93 0.00 0.00 178.83 176.55 1aou n ALA 4 N -2.91 -1.79 0.00 3.38 0.00 -1.26 -4.81 120.51 113.13 1aou n ALA 4 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1aou n ALA 4 Cb 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1aou n ALA 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1aou n GLU 5 N 1.76 0.00 0.00 0.00 0.28 -0.19 -4.91 120.64 117.58 1aou n GLU 5 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1aou n GLU 5 Cb 0.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.15 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aou n GLU 6 N 0.00 0.33 -0.03 3.44 1.02 -1.26 -4.84 120.64 119.30 1aou n GLU 6 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1aou n GLU 6 Cb 0.00 -0.65 0.06 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.58 0.00 -3.65 -0.32 4.27 -1.26 -4.40 117.44 110.49 1aou n TRP 7 Ca 0.00 -0.72 -0.06 0.00 -3.89 0.00 0.00 57.50 52.83 1aou n TRP 7 Cb 0.15 -0.09 -0.07 0.00 -1.36 0.00 0.00 31.31 29.94 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 -1.84 -1.09 -0.15 -2.67 6.14 -1.26 0.23 117.35 116.71 1aou s TYR 8 Ca 0.14 2.06 0.15 0.00 0.64 0.00 0.00 57.07 60.06 1aou s TYR 8 Cb 0.13 0.63 -0.21 0.00 0.42 0.00 0.00 41.96 42.93 1aou s TYR 8 CO 0.01 -0.55 0.09 1.19 0.64 0.00 0.00 175.55 176.93 1aou n PHE 9 N 4.76 0.00 0.00 4.97 3.01 -0.75 -1.02 117.46 128.44 1aou n PHE 9 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1aou n PHE 9 Cb 0.55 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 1.95 0.51 2.73 1.37 0.00 -1.26 -4.90 105.19 105.59 1aou n GLY 10 Ca -0.24 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 2.61 -1.94 1.61 5.02 -1.26 -1.39 118.16 122.81 1aou n LYS 11 Ca 0.00 -4.58 -0.04 0.00 -2.02 0.00 0.00 58.31 51.66 1aou n LYS 11 Cb 0.00 -2.32 -0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1aou n LYS 11 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1aou n LEU 12 N 1.44 0.00 -4.92 -0.35 -0.00 -1.26 -4.83 117.00 107.07 1aou n LEU 12 Ca 0.26 -0.48 -0.30 0.00 -0.00 0.00 0.00 56.01 55.49 1aou n LEU 12 Cb 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.76 1aou n LEU 12 CO 0.40 -0.29 -0.12 -0.83 -0.00 0.00 0.00 177.39 176.56 1aou s GLY 13 N -1.91 2.06 0.64 1.47 0.00 -1.26 -4.45 107.32 103.86 1aou s GLY 13 Ca 0.05 -0.86 0.37 0.00 0.00 0.00 0.00 44.72 44.27 1aou s GLY 13 CO 0.03 -0.84 2.25 0.07 0.00 0.00 0.00 173.10 174.60 1aou h ARG 14 N 2.79 0.00 0.01 2.90 -0.00 -1.97 0.21 114.38 118.31 1aou h ARG 14 Ca -0.46 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.33 1aou h ARG 14 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 1aou h ARG 14 CO 0.74 0.00 -0.88 -0.22 -0.00 0.00 0.00 179.97 179.61 1aou h LYS 15 N 0.00 0.05 0.00 0.08 3.64 -2.00 -2.78 116.57 115.56 1aou h LYS 15 Ca 0.01 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1aou h LYS 15 Cb 0.17 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1aou h LYS 15 CO -0.00 0.89 -0.39 0.22 -2.27 0.00 0.00 179.45 177.91 1aou h ASP 16 N 0.03 0.00 -0.06 4.20 3.58 -0.97 -2.51 116.42 120.68 1aou h ASP 16 Ca -0.02 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1aou h ASP 16 Cb 1.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.59 1aou h ASP 16 CO 0.12 0.39 -0.13 0.00 -2.88 0.00 0.00 179.24 176.74 1aou h ALA 17 N 1.61 0.10 -0.10 -0.78 0.00 -1.24 0.49 119.26 119.34 1aou h ALA 17 Ca -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1aou h ALA 17 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1aou h ALA 17 CO 0.05 -0.01 0.08 1.05 0.00 0.00 0.00 179.25 180.42 1aou h GLU 18 N -0.29 0.00 0.00 0.00 4.11 -1.35 0.11 114.58 117.16 1aou h GLU 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1aou h GLU 18 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1aou h GLU 18 CO 0.03 0.00 -0.95 -2.13 0.07 0.00 0.00 179.01 176.03 1aou n ARG 19 N -4.31 0.54 0.09 1.06 0.00 -0.96 -2.30 116.66 110.78 1aou n ARG 19 Ca -0.01 0.11 -0.03 0.00 -0.00 0.00 0.00 57.85 57.93 1aou n ARG 19 Cb 0.19 -1.79 -0.06 0.00 0.00 0.00 0.00 32.46 30.81 1aou n ARG 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1aou h GLN 20 N 0.00 0.00 0.02 -0.14 1.08 0.25 -2.30 115.11 114.02 1aou h GLN 20 Ca 0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 1aou h GLN 20 Cb 0.94 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.32 1aou h GLN 20 CO 0.00 0.73 -2.15 1.28 -0.95 0.00 0.00 178.83 177.75 1aou n LEU 21 N -3.26 2.26 -0.18 1.46 4.77 -0.49 -4.18 117.00 117.37 1aou n LEU 21 Ca -0.00 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1aou n LEU 21 Cb 0.85 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1aou n LEU 21 CO 0.44 0.62 0.74 -0.07 -1.33 0.00 0.00 177.39 177.79 1aou h LEU 22 N -0.63 1.03 -1.68 2.23 3.38 -1.62 -2.06 115.31 115.96 1aou h LEU 22 Ca -0.55 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1aou h LEU 22 Cb 1.66 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1aou h LEU 22 CO -0.23 1.15 0.05 0.28 0.09 0.00 0.00 178.44 179.78 1aou h SER 23 N 0.90 0.00 -3.25 -0.43 0.02 -1.60 -3.42 113.55 105.78 1aou h SER 23 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1aou h SER 23 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1aou h SER 23 CO 0.05 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.23 1aou n PHE 24 N -2.41 -1.98 -1.84 3.45 3.72 -0.78 -5.04 117.46 112.59 1aou n PHE 24 Ca -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1aou n PHE 24 Cb 0.09 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.77 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aou n GLY 25 N 5.00 5.06 3.85 1.37 0.00 -1.26 -5.02 105.19 114.20 1aou n GLY 25 Ca 0.00 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1aou n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aou s ASN 26 N -3.27 6.71 1.01 1.61 0.02 -1.26 -5.09 114.94 114.68 1aou s ASN 26 Ca 0.41 0.86 -0.08 0.00 -1.02 0.00 0.00 52.86 53.03 1aou s ASN 26 Cb 0.38 -2.21 0.11 0.00 0.02 0.00 0.00 41.25 39.56 1aou s ASN 26 CO -0.05 0.24 0.64 -0.81 0.02 0.00 0.00 177.10 177.15 1aou n PRO 27 N 1.33 -0.81 -0.19 -0.60 -0.04 -1.26 -4.93 135.00 128.50 1aou n PRO 27 Ca -0.11 -0.99 -0.13 0.00 -0.04 0.00 0.00 63.50 62.23 1aou n PRO 27 Cb 0.52 -0.69 0.13 0.00 -0.04 0.00 0.00 33.50 33.43 1aou n PRO 27 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1aou n ARG 28 N -2.47 -2.42 -0.87 0.54 -4.01 -1.26 -3.57 116.66 102.59 1aou n ARG 28 Ca 0.08 -0.64 0.00 0.00 -1.04 0.00 0.00 57.85 56.25 1aou n ARG 28 Cb 0.28 -0.96 0.00 0.00 -3.04 0.00 0.00 32.46 28.75 1aou n ARG 28 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1aou n GLY 29 N -2.20 0.61 3.27 2.89 0.00 -1.07 -4.91 105.19 103.78 1aou n GLY 29 Ca 0.06 0.00 -0.44 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 -2.14 4.68 -0.46 2.61 -1.04 -1.23 -3.91 114.28 112.78 1aou n THR 30 Ca 0.00 -5.48 0.00 0.00 -2.04 0.00 0.00 64.05 56.53 1aou n THR 30 Cb 0.03 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.05 1aou n THR 30 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1aou n PHE 31 N 2.41 -1.83 0.00 -1.42 3.72 -1.26 -2.39 117.46 116.69 1aou n PHE 31 Ca 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1aou n PHE 31 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1aou n PHE 31 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1aou n LEU 32 N 0.00 0.00 -4.61 4.37 0.00 0.98 -4.64 117.00 113.10 1aou n LEU 32 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.73 1aou n LEU 32 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 1aou n LEU 32 CO 0.00 0.00 -0.29 -0.63 0.00 0.00 0.00 177.39 176.47 1aou s ILE 33 N -2.00 1.97 0.00 1.96 1.01 0.61 0.15 121.20 124.90 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 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.48 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 -0.96 0.00 -1.79 2.79 1.85 -0.81 -1.81 116.66 115.93 1aou n ARG 34 Ca -0.05 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.39 1aou n ARG 34 Cb 0.67 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.06 1aou n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1aou s GLU 35 N -1.63 4.13 -0.19 2.89 2.02 -0.48 0.21 118.70 125.66 1aou s GLU 35 Ca 0.00 2.56 -0.20 0.00 0.02 0.00 0.00 54.97 57.34 1aou s GLU 35 Cb 0.00 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1aou s GLU 35 CO 0.00 -0.63 0.61 -1.12 0.02 0.00 0.00 175.26 174.14 1aou s SER 36 N 0.58 6.69 -0.05 -0.19 0.01 -0.33 -4.48 113.70 115.93 1aou s SER 36 Ca 0.64 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.82 1aou s SER 36 Cb -0.47 -2.34 0.32 0.00 0.21 0.00 0.00 66.02 63.73 1aou s SER 36 CO 0.45 -0.23 1.15 -0.62 0.41 0.00 0.00 173.24 174.40 1aou n GLU 37 N 4.86 2.17 0.02 12.44 1.02 -1.26 -3.06 120.64 136.83 1aou n GLU 37 Ca -0.02 -1.25 -0.18 0.00 -0.02 0.00 0.00 57.16 55.68 1aou n GLU 37 Cb 0.50 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.28 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aou h THR 38 N 1.81 1.47 -4.41 2.62 1.03 -1.96 -3.47 112.91 110.01 1aou h THR 38 Ca 0.00 -2.28 -0.10 0.00 -0.01 0.00 0.00 66.41 64.02 1aou h THR 38 Cb 0.75 2.88 -0.00 0.00 -1.07 0.00 0.00 68.15 70.71 1aou h THR 38 CO 0.10 0.65 -0.03 1.07 -0.01 0.00 0.00 175.52 177.30 1aou n THR 39 N -4.19 0.00 -0.37 0.00 5.66 -1.25 -4.94 114.28 109.19 1aou n THR 39 Ca -0.12 -0.39 0.29 0.00 -3.05 0.00 0.00 64.05 60.78 1aou n THR 39 Cb 0.73 -0.66 0.55 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.22 0.00 1.09 1.57 -1.90 -3.39 116.57 114.16 1aou h LYS 40 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1aou h LYS 40 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1aou h LYS 40 CO 0.09 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 1aou n GLY 41 N -1.39 -1.77 0.00 3.86 0.00 -1.26 -5.02 105.19 99.61 1aou n GLY 41 Ca 0.33 0.70 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -4.00 4.61 0.00 -1.17 -4.82 120.51 115.12 1aou n ALA 42 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1aou n ALA 42 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 0.18 -3.78 0.00 4.01 -0.73 -1.19 117.16 115.65 1aou n TYR 43 Ca 0.00 -0.54 -0.07 0.00 -0.16 0.00 0.00 57.90 57.12 1aou n TYR 43 Cb 0.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.57 -0.30 -0.35 7.72 0.15 0.13 -0.47 113.70 119.01 1aou s SER 44 Ca 0.01 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1aou s SER 44 Cb 0.00 0.69 0.14 0.00 -1.71 0.00 0.00 66.02 65.14 1aou s SER 44 CO 0.01 -1.25 0.24 -0.22 1.20 0.00 0.00 173.24 173.22 1aou s LEU 45 N -2.89 0.75 0.64 3.45 0.20 -0.12 -1.93 118.68 118.79 1aou s LEU 45 Ca 0.10 -2.03 -0.17 0.00 0.69 0.00 0.00 54.13 52.72 1aou s LEU 45 Cb -0.05 -0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 45.49 1aou s LEU 45 CO 0.03 -0.31 1.18 -0.44 -0.29 0.00 0.00 176.35 176.52 1aou s SER 46 N 1.19 4.95 -0.15 3.68 0.01 0.40 -0.81 113.70 122.97 1aou s SER 46 Ca 0.17 2.27 -0.04 0.00 1.31 0.00 0.00 55.95 59.66 1aou s SER 46 Cb -0.21 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.49 1aou s SER 46 CO -0.01 -1.75 0.08 0.27 0.41 0.00 0.00 173.24 172.24 1aou s ILE 47 N -1.89 -0.01 0.15 1.44 -4.36 -0.42 -0.01 121.20 116.10 1aou s ILE 47 Ca 0.74 -0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.71 1aou s ILE 47 Cb -0.27 -0.56 -0.07 0.00 1.25 0.00 0.00 42.46 42.81 1aou s ILE 47 CO 0.38 -0.19 1.10 -0.60 0.24 0.00 0.00 174.94 175.86 1aou s ARG 48 N 2.11 4.58 -0.45 0.37 3.00 -1.01 -0.60 118.95 126.95 1aou s ARG 48 Ca 0.02 1.69 0.06 0.00 -1.00 0.00 0.00 55.73 56.49 1aou s ARG 48 Cb -0.15 -3.31 0.19 0.00 0.00 0.00 0.00 34.95 31.68 1aou s ARG 48 CO -0.08 0.03 0.52 -3.47 0.00 0.00 0.00 175.30 172.31 1aou n ASP 49 N 2.71 -1.63 -4.62 -2.12 2.03 -0.97 -2.61 116.55 109.34 1aou n ASP 49 Ca 0.04 -2.64 -0.29 0.00 0.52 0.00 0.00 54.79 52.41 1aou n ASP 49 Cb 0.47 0.39 0.19 0.00 -0.72 0.00 0.00 41.12 41.45 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 0.28 1.75 0.06 -0.67 -0.00 -1.26 -4.15 118.94 114.94 1aou s TRP 50 Ca 0.32 1.37 -0.08 0.00 -0.00 0.00 0.00 56.10 57.71 1aou s TRP 50 Cb 0.05 -3.19 -0.00 0.00 -0.00 0.00 0.00 33.47 30.33 1aou s TRP 50 CO -0.14 -3.10 0.16 0.34 -0.00 0.00 0.00 176.95 174.21 1aou s ASP 51 N -2.87 0.12 -0.13 5.86 2.15 -0.55 -4.84 116.67 116.41 1aou s ASP 51 Ca 0.66 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.10 1aou s ASP 51 Cb -0.22 0.29 0.12 0.00 -0.30 0.00 0.00 42.92 42.81 1aou s ASP 51 CO 0.60 -0.61 1.71 -0.90 -0.17 0.00 0.00 175.17 175.81 1aou n ASP 52 N 0.41 4.89 -1.78 -0.34 5.75 -1.26 -3.21 116.55 121.00 1aou n ASP 52 Ca -0.17 -2.59 -0.04 0.00 -0.01 0.00 0.00 54.79 51.98 1aou n ASP 52 Cb 0.60 -0.91 0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1aou n ASP 52 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 1aou n MET 53 N 0.66 0.64 0.00 0.11 0.00 -1.26 -4.97 117.12 112.30 1aou n MET 53 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 57.70 56.83 1aou n MET 53 Cb 0.62 0.44 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 -0.73 0.00 0.00 3.17 -0.00 -1.25 -5.15 118.16 114.20 1aou n LYS 54 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1aou n LYS 54 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.78 1aou n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aou n GLY 55 N 0.00 -0.02 3.89 2.58 0.00 -1.20 -5.00 105.19 105.45 1aou n GLY 55 Ca 0.00 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 5.15 0.02 1.61 1.01 -1.26 -1.48 116.67 117.72 1aou s ASP 56 Ca 0.00 0.97 -0.02 0.00 0.71 0.00 0.00 52.55 54.21 1aou s ASP 56 Cb 0.00 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.25 1aou s ASP 56 CO 0.00 -1.50 0.09 1.57 0.21 0.00 0.00 175.17 175.54 1aou n HIS 57 N -3.07 -0.84 -3.45 4.23 -0.00 -1.26 -4.85 115.22 105.99 1aou n HIS 57 Ca 0.07 -0.14 -0.11 0.00 0.46 0.00 0.00 57.72 58.00 1aou n HIS 57 Cb 0.58 0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.50 1aou n HIS 57 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1aou s VAL 58 N -2.69 0.00 0.00 3.57 0.11 -1.26 -2.29 120.40 117.85 1aou s VAL 58 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1aou s VAL 58 Cb -0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1aou s VAL 58 CO 0.01 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.07 1aou n LYS 59 N -0.30 0.39 -3.58 1.54 5.02 0.23 -4.89 118.16 116.57 1aou n LYS 59 Ca -0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 1aou n LYS 59 Cb 0.64 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.58 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1aou s HIS 60 N -1.49 -0.72 -0.40 2.13 3.76 -1.26 -1.30 115.29 116.01 1aou s HIS 60 Ca 0.00 1.53 0.04 0.00 -0.15 0.00 0.00 55.06 56.48 1aou s HIS 60 Cb 0.00 0.34 0.11 0.00 1.11 0.00 0.00 32.58 34.14 1aou s HIS 60 CO 0.00 -0.49 0.12 0.71 -0.85 0.00 0.00 174.74 174.23 1aou s TYR 61 N -0.39 3.46 -0.27 1.40 2.02 0.01 -4.85 117.35 118.72 1aou s TYR 61 Ca -0.05 -3.01 -0.35 0.00 -0.37 0.00 0.00 57.07 53.29 1aou s TYR 61 Cb -0.03 -2.83 -0.11 0.00 -0.40 0.00 0.00 41.96 38.60 1aou s TYR 61 CO 0.05 -0.88 2.07 1.17 -1.57 0.00 0.00 175.55 176.40 1aou n LYS 62 N 3.88 1.39 -2.57 -0.62 0.00 -1.26 -0.94 118.16 118.04 1aou n LYS 62 Ca 0.04 0.43 -0.42 0.00 0.00 0.00 0.00 58.31 58.37 1aou n LYS 62 Cb 0.39 -2.52 -0.02 0.00 0.00 0.00 0.00 35.03 32.87 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 6.26 3.98 0.76 3.15 1.09 0.38 -4.53 121.20 132.29 1aou s ILE 63 Ca 1.04 0.85 -0.13 0.00 -1.10 0.00 0.00 60.65 61.31 1aou s ILE 63 Cb -0.80 -4.73 0.18 0.00 -1.06 0.00 0.00 42.46 36.04 1aou s ILE 63 CO 0.51 -1.38 0.84 -1.14 -0.10 0.00 0.00 174.94 173.66 1aou n ARG 64 N 8.55 -1.68 -3.72 2.79 3.00 -0.88 -1.76 116.66 122.96 1aou n ARG 64 Ca 0.08 -1.31 -0.12 0.00 -0.00 0.00 0.00 57.85 56.50 1aou n ARG 64 Cb 0.49 -1.03 -0.11 0.00 0.00 0.00 0.00 32.46 31.80 1aou n ARG 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1aou s LYS 65 N -4.86 0.34 0.51 -0.14 2.20 -1.26 -2.20 119.74 114.34 1aou s LYS 65 Ca 0.50 0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 56.55 1aou s LYS 65 Cb -0.03 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1aou s LYS 65 CO 0.37 -0.13 1.03 -0.51 -0.36 0.00 0.00 175.35 175.76 1aou s LEU 66 N 1.00 3.74 0.41 5.43 2.01 -0.32 -4.84 118.68 126.10 1aou s LEU 66 Ca -0.07 1.86 0.28 0.00 0.01 0.00 0.00 54.13 56.21 1aou s LEU 66 Cb -0.07 -4.55 1.10 0.00 0.01 0.00 0.00 46.19 42.68 1aou s LEU 66 CO -0.08 -0.85 1.84 0.44 1.01 0.00 0.00 176.35 178.71 1aou h ASP 67 N 1.22 0.00 0.28 2.29 5.19 -2.01 -0.93 116.42 122.46 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 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1aou h ASP 67 CO 0.59 0.00 -0.23 0.59 -3.12 0.00 0.00 179.24 177.07 1aou n ASN 68 N -2.71 0.86 -0.23 6.45 3.02 -1.26 -4.96 115.26 116.43 1aou n ASN 68 Ca 0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1aou n ASN 68 Cb 0.31 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.33 -0.09 3.13 7.41 0.00 -0.36 -5.00 105.19 111.62 1aou n GLY 69 Ca 0.12 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.07 -1.24 -0.13 -0.02 0.00 -1.25 -3.00 107.32 101.61 1aou s GLY 70 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 1aou s GLY 70 CO 0.00 3.82 1.29 -0.19 0.00 0.00 0.00 173.10 178.02 1aou s TYR 71 N 2.48 2.84 -0.06 1.90 2.02 -0.12 -1.18 117.35 125.23 1aou s TYR 71 Ca 0.15 0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1aou s TYR 71 Cb -0.05 -3.53 0.04 0.00 -0.40 0.00 0.00 41.96 38.01 1aou s TYR 71 CO -0.19 -1.84 0.13 1.52 -1.57 0.00 0.00 175.55 173.60 1aou s TYR 72 N 3.27 -0.13 -0.16 2.71 1.13 -0.94 -0.53 117.35 122.71 1aou s TYR 72 Ca 0.57 0.44 0.16 0.00 -1.41 0.00 0.00 57.07 56.82 1aou s TYR 72 Cb -0.24 -0.15 0.13 0.00 -1.10 0.00 0.00 41.96 40.61 1aou s TYR 72 CO 0.18 -0.17 1.48 0.82 -2.51 0.00 0.00 175.55 175.35 1aou h ILE 73 N 6.16 0.78 -4.08 -3.49 5.03 -1.80 -2.32 117.51 117.79 1aou h ILE 73 Ca -0.39 -2.06 -0.44 0.00 -0.12 0.00 0.00 64.86 61.85 1aou h ILE 73 Cb 1.13 2.36 -0.29 0.00 -3.03 0.00 0.00 36.82 36.99 1aou h ILE 73 CO 0.39 0.44 -0.79 0.28 -0.68 0.00 0.00 178.15 177.78 1aou s THR 74 N -3.02 0.90 -1.32 -0.27 -1.32 -1.26 -4.83 115.64 104.52 1aou s THR 74 Ca 0.04 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 1aou s THR 74 Cb 0.07 -0.76 0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1aou s THR 74 CO 0.73 0.26 0.94 0.35 -2.21 0.00 0.00 174.62 174.69 1aou n THR 75 N 2.86 1.26 0.41 5.08 -2.24 -1.26 -1.68 114.28 118.70 1aou n THR 75 Ca -0.14 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1aou n THR 75 Cb 0.56 -1.27 0.49 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.95 -0.78 2.43 -1.94 -3.44 114.38 108.70 1aou h ARG 76 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1aou h ARG 76 Cb 0.03 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.36 1aou h ARG 76 CO 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 179.97 178.49 1aou s ALA 77 N -3.34 -1.95 0.16 2.80 0.00 -0.68 -5.17 121.76 113.59 1aou s ALA 77 Ca 0.05 2.39 0.06 0.00 0.00 0.00 0.00 51.96 54.47 1aou s ALA 77 Cb 0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1aou s ALA 77 CO 0.48 -0.47 -0.13 1.14 0.00 0.00 0.00 175.76 176.78 1aou s GLN 78 N 1.81 1.15 -0.14 0.00 0.00 -1.26 -4.13 119.66 117.10 1aou s GLN 78 Ca -0.09 -1.45 -0.04 0.00 -0.00 0.00 0.00 55.36 53.78 1aou s GLN 78 Cb -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 33.01 32.13 1aou s GLN 78 CO -0.19 0.14 0.20 -0.06 0.00 0.00 0.00 175.29 175.38 1aou s PHE 79 N -2.88 -0.26 0.17 9.60 0.08 0.32 -4.64 117.98 120.37 1aou s PHE 79 Ca 0.17 0.55 0.12 0.00 0.12 0.00 0.00 56.93 57.88 1aou s PHE 79 Cb -0.01 -0.25 0.61 0.00 -0.57 0.00 0.00 43.02 42.80 1aou s PHE 79 CO 0.04 -0.41 0.66 -0.85 -0.10 0.00 0.00 175.22 174.56 1aou n GLU 80 N 5.33 -0.02 -4.48 0.44 0.00 -1.16 -0.94 120.64 119.81 1aou n GLU 80 Ca -0.05 0.55 -0.24 0.00 0.00 0.00 0.00 57.16 57.42 1aou n GLU 80 Cb 0.50 -1.05 -0.09 0.00 0.00 0.00 0.00 31.44 30.80 1aou n GLU 80 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1aou s THR 81 N -4.45 0.64 0.07 3.84 -1.32 -1.26 -4.51 115.64 108.64 1aou s THR 81 Ca -0.03 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.51 1aou s THR 81 Cb 0.14 -2.44 -0.23 0.00 -1.51 0.00 0.00 72.50 68.46 1aou s THR 81 CO 0.34 0.00 1.08 -0.07 -2.21 0.00 0.00 174.62 173.76 1aou h LEU 82 N 1.90 0.08 -0.71 9.08 3.38 -1.97 -2.41 115.31 124.65 1aou h LEU 82 Ca -0.36 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 1aou h LEU 82 Cb 1.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1aou h LEU 82 CO 0.58 1.08 -0.63 -0.61 0.09 0.00 0.00 178.44 178.95 1aou h GLN 83 N 0.01 0.05 -0.02 1.13 4.15 -1.94 -1.14 115.11 117.35 1aou h GLN 83 Ca -0.11 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.10 1aou h GLN 83 Cb 1.87 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.55 1aou h GLN 83 CO 0.13 0.66 -0.79 1.96 -1.93 0.00 0.00 178.83 178.86 1aou h GLN 84 N 0.04 0.18 -0.06 1.69 7.50 -1.89 -2.24 115.11 120.33 1aou h GLN 84 Ca -0.01 -0.17 -0.20 0.00 0.50 0.00 0.00 58.65 58.77 1aou h GLN 84 Cb 1.12 0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.71 1aou h GLN 84 CO 0.09 0.88 -0.75 1.37 -1.50 0.00 0.00 178.83 178.91 1aou h LEU 85 N 0.11 0.76 -2.21 1.46 8.10 -1.21 -2.39 115.31 119.94 1aou h LEU 85 Ca -0.03 -0.70 -0.00 0.00 0.11 0.00 0.00 57.88 57.26 1aou h LEU 85 Cb 1.38 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 41.37 1aou h LEU 85 CO 0.12 1.35 -0.02 -0.37 -4.11 0.00 0.00 178.44 175.41 1aou h VAL 86 N 0.25 0.74 -0.25 0.15 -1.51 -1.19 0.18 116.25 114.62 1aou h VAL 86 Ca -0.08 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1aou h VAL 86 Cb 1.41 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1aou h VAL 86 CO 0.15 0.02 0.08 -0.61 -1.23 0.00 0.00 177.57 175.98 1aou h GLN 87 N 0.00 0.38 0.12 5.19 4.15 -0.91 0.54 115.11 124.59 1aou h GLN 87 Ca -0.00 -0.08 -0.18 0.00 0.77 0.00 0.00 58.65 59.16 1aou h GLN 87 Cb 0.04 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 27.69 1aou h GLN 87 CO 0.00 0.45 -0.81 1.25 -1.93 0.00 0.00 178.83 177.79 1aou h HIS 88 N 0.24 0.47 0.00 3.99 2.76 -0.90 -3.22 115.15 118.48 1aou h HIS 88 Ca 0.08 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1aou h HIS 88 Cb 0.23 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1aou h HIS 88 CO 0.00 1.31 0.00 0.66 -1.30 0.00 0.00 177.93 178.60 1aou n TYR 89 N -4.15 0.05 0.12 5.26 4.02 0.54 -1.89 117.16 121.11 1aou n TYR 89 Ca -0.15 0.02 -0.03 0.00 -0.01 0.00 0.00 57.90 57.73 1aou n TYR 89 Cb 0.80 -0.54 0.16 0.00 -0.02 0.00 0.00 39.34 39.74 1aou n TYR 89 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1aou h SER 90 N 0.00 0.10 0.58 7.72 0.02 -0.89 -2.97 113.55 118.11 1aou h SER 90 Ca 0.00 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1aou h SER 90 Cb 0.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1aou h SER 90 CO 0.00 0.68 -1.47 -1.84 -1.14 0.00 0.00 176.83 173.06 1aou n GLU 91 N -3.84 0.63 -3.94 3.45 0.28 -0.79 -4.88 120.64 111.55 1aou n GLU 91 Ca -0.02 0.04 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1aou n GLU 91 Cb 0.61 -1.71 -0.09 0.00 1.43 0.00 0.00 31.44 31.68 1aou n GLU 91 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1aou s ARG 92 N -3.26 0.71 -0.17 3.44 0.52 -0.95 -5.07 118.95 114.17 1aou s ARG 92 Ca -0.04 -0.97 -0.25 0.00 -0.52 0.00 0.00 55.73 53.95 1aou s ARG 92 Cb 0.10 0.28 -0.23 0.00 0.52 0.00 0.00 34.95 35.62 1aou s ARG 92 CO 0.83 -0.19 0.51 0.00 0.02 0.00 0.00 175.30 176.47 1aou h ALA 93 N 3.12 0.13 0.00 2.13 0.00 -1.87 -3.35 119.26 119.42 1aou h ALA 93 Ca -0.34 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1aou h ALA 93 Cb 1.18 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1aou h ALA 93 CO 0.57 0.35 0.00 0.00 0.00 0.00 0.00 179.25 180.18 1aou n ALA 94 N -2.99 0.00 0.00 0.00 0.00 -1.26 -4.17 120.51 112.09 1aou n ALA 94 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1aou n ALA 94 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 1.23 3.88 0.00 0.00 -1.26 -4.97 105.19 102.07 1aou n GLY 95 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.42 0.26 0.99 2.34 -1.26 -4.91 118.68 118.53 1aou s LEU 96 Ca 0.00 0.69 -0.09 0.00 0.06 0.00 0.00 54.13 54.79 1aou s LEU 96 Cb 0.00 -3.03 0.42 0.00 -0.56 0.00 0.00 46.19 43.01 1aou s LEU 96 CO 0.00 -2.26 1.51 -1.20 -1.06 0.00 0.00 176.35 173.34 1aou n SER 97 N -3.53 -0.39 -3.34 1.48 7.64 -1.26 -4.78 113.62 109.45 1aou n SER 97 Ca 0.10 1.67 -0.04 0.00 1.01 0.00 0.00 58.87 61.60 1aou n SER 97 Cb 0.60 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1aou n SER 97 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1aou s SER 98 N -5.26 -0.02 0.39 6.43 0.01 -1.26 -5.05 113.70 108.94 1aou s SER 98 Ca -0.14 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1aou s SER 98 Cb 0.25 0.56 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1aou s SER 98 CO 0.75 -1.10 0.00 -2.11 0.41 0.00 0.00 173.24 171.19 1aou n ARG 99 N -0.65 0.22 0.00 12.44 1.85 -1.26 -4.79 116.66 124.47 1aou n ARG 99 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1aou n ARG 99 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1aou n ARG 99 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1aou n LEU 100 N 0.00 0.00 -4.70 2.89 7.99 -1.24 -4.91 117.00 117.03 1aou n LEU 100 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.61 1aou n LEU 100 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 1aou n LEU 100 CO 0.00 -0.15 0.33 -0.69 -1.51 0.00 0.00 177.39 175.37 1aou s VAL 101 N 0.00 5.08 0.31 4.08 1.01 -1.26 -4.71 120.40 124.90 1aou s VAL 101 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 1aou s VAL 101 Cb 0.00 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1aou s VAL 101 CO 0.00 0.24 0.59 0.55 0.00 0.00 0.00 175.10 176.48 1aou n VAL 102 N 3.98 1.77 -0.00 2.92 3.14 -1.25 -4.80 118.33 124.08 1aou n VAL 102 Ca -0.03 -0.50 -0.05 0.00 -2.96 0.00 0.00 64.34 60.81 1aou n VAL 102 Cb 0.51 -0.39 -0.03 0.00 -1.06 0.00 0.00 33.84 32.86 1aou n VAL 102 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1aou h PRO 103 N 1.10 -0.11 -2.55 1.45 0.13 -1.97 -3.35 132.00 126.70 1aou h PRO 103 Ca -0.35 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.16 1aou h PRO 103 Cb 1.41 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.48 1aou h PRO 103 CO 0.55 0.11 2.18 -1.13 -0.23 0.00 0.00 178.00 179.49 1aou n SER 104 N -4.83 7.69 -3.08 1.44 3.41 -1.26 -4.96 113.62 112.03 1aou n SER 104 Ca -0.03 -2.92 -0.04 0.00 -0.26 0.00 0.00 58.87 55.61 1aou n SER 104 Cb 0.13 -1.40 0.04 0.00 -0.26 0.00 0.00 64.21 62.72 1aou n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aou n HIS 105 N 2.19 -1.68 0.00 7.33 1.44 -1.26 -5.28 115.22 117.96 1aou n HIS 105 Ca 0.63 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 1aou n HIS 105 Cb 0.37 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.22 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70