#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 -0.01 -0.31 0.44 3.06 -1.26 -4.69 119.36 116.59 1aou n ILE 2 Ca 0.00 -0.26 0.19 0.00 -2.50 0.00 0.00 62.75 60.18 1aou n ILE 2 Cb 0.00 -0.76 0.45 0.00 0.54 0.00 0.00 39.64 39.88 1aou n ILE 2 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 1aou h GLN 3 N 12.78 0.49 -6.55 9.51 4.20 -1.94 -3.46 115.11 130.14 1aou h GLN 3 Ca -0.05 -0.03 -0.42 0.00 0.06 0.00 0.00 58.65 58.21 1aou h GLN 3 Cb 1.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1aou h GLN 3 CO 1.40 0.32 -0.96 0.00 -0.67 0.00 0.00 178.83 178.93 1aou n ALA 4 N -2.44 -2.75 0.00 3.87 0.00 -1.25 -4.79 120.51 113.15 1aou n ALA 4 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1aou n ALA 4 Cb 0.75 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.39 0.00 -0.11 0.00 1.02 0.20 -4.67 120.64 114.69 1aou n GLU 5 Ca -0.27 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 1aou n GLU 5 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.02 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aou n GLU 6 N -1.67 0.52 0.00 3.49 1.02 -1.26 -4.55 120.64 118.19 1aou n GLU 6 Ca 0.00 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1aou n GLU 6 Cb 0.00 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 30.17 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 -4.25 0.00 -3.36 -0.32 4.27 -1.26 -4.11 117.44 108.42 1aou n TRP 7 Ca -0.35 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.11 1aou n TRP 7 Cb 0.70 -0.02 -0.08 0.00 -1.36 0.00 0.00 31.31 30.55 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 -2.31 -0.55 0.28 -2.67 5.04 -1.26 0.29 117.35 116.17 1aou s TYR 8 Ca 0.24 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1aou s TYR 8 Cb 0.19 -0.36 0.41 0.00 0.35 0.00 0.00 41.96 42.55 1aou s TYR 8 CO 0.47 -0.96 1.84 0.74 -1.34 0.00 0.00 175.55 176.30 1aou h PHE 9 N 7.76 0.88 0.00 4.97 -1.00 -1.00 0.57 116.94 129.12 1aou h PHE 9 Ca -0.05 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1aou h PHE 9 Cb 1.08 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1aou h PHE 9 CO 0.29 0.71 0.00 0.41 -1.61 0.00 0.00 178.31 178.11 1aou n GLY 10 N -0.93 0.81 3.02 -1.45 0.00 -1.22 -4.65 105.19 100.76 1aou n GLY 10 Ca 0.05 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 4.09 -1.36 1.61 5.02 -1.26 -1.65 118.16 124.61 1aou n LYS 11 Ca 0.00 -4.21 0.00 0.00 -2.02 0.00 0.00 58.31 52.08 1aou n LYS 11 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 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 2.41 0.00 -4.93 -0.35 -0.00 -1.26 -4.86 117.00 108.00 1aou n LEU 12 Ca 0.30 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.03 1aou n LEU 12 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.74 1aou n LEU 12 CO 0.72 -0.26 -0.10 -0.83 -0.00 0.00 0.00 177.39 176.93 1aou s GLY 13 N -1.49 1.88 0.62 1.47 0.00 -1.26 -4.61 107.32 103.93 1aou s GLY 13 Ca 0.00 -0.93 0.38 0.00 0.00 0.00 0.00 44.72 44.17 1aou s GLY 13 CO 0.00 -0.92 2.28 0.07 0.00 0.00 0.00 173.10 174.53 1aou h ARG 14 N 2.44 0.00 0.00 2.90 -0.00 -1.98 0.16 114.38 117.89 1aou h ARG 14 Ca -0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.36 1aou h ARG 14 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.13 1aou h ARG 14 CO 0.71 0.01 -0.71 0.87 -0.00 0.00 0.00 179.97 180.85 1aou h LYS 15 N 0.00 0.00 0.00 0.08 1.57 -2.00 -2.78 116.57 113.44 1aou h LYS 15 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1aou h LYS 15 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1aou h LYS 15 CO 0.00 0.71 -0.54 0.22 -0.57 0.00 0.00 179.45 179.27 1aou h ASP 16 N 0.00 0.00 -0.14 0.86 1.82 -1.08 -2.01 116.42 115.87 1aou h ASP 16 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.56 1aou h ASP 16 Cb 1.34 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.35 1aou h ASP 16 CO 0.09 0.54 -0.21 0.00 -1.61 0.00 0.00 179.24 178.06 1aou h ALA 17 N 1.46 0.21 0.00 -0.78 0.00 -1.22 0.15 119.26 119.08 1aou h ALA 17 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1aou h ALA 17 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1aou h ALA 17 CO 0.07 0.15 -0.12 1.05 0.00 0.00 0.00 179.25 180.41 1aou h GLU 18 N -0.01 0.00 0.00 0.00 4.11 -1.43 -1.16 114.58 116.10 1aou h GLU 18 Ca 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 1aou h GLU 18 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1aou h GLU 18 CO 0.05 0.12 -1.06 -0.09 0.07 0.00 0.00 179.01 178.10 1aou h ARG 19 N 0.00 0.00 0.00 1.06 9.65 -1.08 -2.59 114.38 121.41 1aou h ARG 19 Ca -0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.69 1aou h ARG 19 Cb 0.48 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 1aou h ARG 19 CO 0.01 0.32 -1.15 1.96 2.80 0.00 0.00 179.97 183.92 1aou h GLN 20 N 0.00 0.00 0.00 0.20 1.08 -0.09 -2.08 115.11 114.22 1aou h GLN 20 Ca -0.09 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.99 1aou h GLN 20 Cb 1.45 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 1aou h GLN 20 CO 0.05 0.55 -0.66 -0.07 -0.95 0.00 0.00 178.83 177.74 1aou h LEU 21 N 0.00 0.00 -0.62 1.46 4.07 -1.34 -3.34 115.31 115.54 1aou h LEU 21 Ca -0.11 -0.71 -0.14 0.00 0.08 0.00 0.00 57.88 57.00 1aou h LEU 21 Cb 1.66 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.39 1aou h LEU 21 CO 0.08 1.24 -0.44 -0.07 -1.08 0.00 0.00 178.44 178.16 1aou h LEU 22 N -1.00 0.62 0.00 1.67 3.38 -1.63 -3.34 115.31 115.02 1aou h LEU 22 Ca -0.18 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1aou h LEU 22 Cb 1.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1aou h LEU 22 CO -0.11 0.98 0.00 -0.24 0.09 0.00 0.00 178.44 179.16 1aou n SER 23 N -4.01 0.00 -3.53 -0.43 2.88 -0.78 -4.89 113.62 102.86 1aou n SER 23 Ca -0.02 0.61 0.02 0.00 -1.33 0.00 0.00 58.87 58.15 1aou n SER 23 Cb 0.54 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1aou n SER 23 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1aou s PHE 24 N -1.46 -0.15 0.00 0.66 2.19 -1.25 -5.09 117.98 112.88 1aou s PHE 24 Ca 0.00 0.29 0.00 0.00 0.33 0.00 0.00 56.93 57.55 1aou s PHE 24 Cb 0.00 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 1aou s PHE 24 CO 0.00 -0.08 0.00 0.41 1.83 0.00 0.00 175.22 177.38 1aou n GLY 25 N 3.57 -1.79 3.14 13.12 0.00 -1.26 -4.92 105.19 117.05 1aou n GLY 25 Ca -0.15 0.62 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.00 1.63 0.00 1.61 0.02 -1.26 -4.83 114.94 108.11 1aou s ASN 26 Ca 0.00 -0.48 0.00 0.00 -1.02 0.00 0.00 52.86 51.36 1aou s ASN 26 Cb 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.18 1aou s ASN 26 CO 0.00 0.01 0.00 -0.81 0.02 0.00 0.00 177.10 176.32 1aou n PRO 27 N 1.82 1.08 -1.44 -0.60 -0.04 -1.26 -4.80 135.00 129.76 1aou n PRO 27 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1aou n PRO 27 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.00 0.49 0.00 0.54 1.85 -1.26 -3.26 116.66 115.02 1aou n ARG 28 Ca 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 1aou n ARG 28 Cb 0.00 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 1aou n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aou n GLY 29 N 1.84 0.85 3.23 2.89 0.00 -0.51 -4.95 105.19 108.55 1aou n GLY 29 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.17 4.30 -3.02 2.61 -1.04 -1.20 -3.79 114.28 110.97 1aou n THR 30 Ca 0.00 -4.61 -0.44 0.00 -2.04 0.00 0.00 64.05 56.96 1aou n THR 30 Cb 0.00 -2.42 -0.01 0.00 -1.82 0.00 0.00 70.33 66.08 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 1.08 3.46 0.00 -1.42 0.40 -1.25 -1.16 117.98 119.10 1aou s PHE 31 Ca 0.42 -1.89 0.00 0.00 -0.60 0.00 0.00 56.93 54.86 1aou s PHE 31 Cb 0.02 -4.19 0.00 0.00 0.51 0.00 0.00 43.02 39.36 1aou s PHE 31 CO 0.00 -1.34 0.00 1.47 0.70 0.00 0.00 175.22 176.06 1aou n LEU 32 N 5.50 0.00 -4.20 -0.37 -0.00 0.23 -2.37 117.00 115.78 1aou n LEU 32 Ca 0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.17 1aou n LEU 32 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.77 1aou n LEU 32 CO 0.53 -0.47 -0.24 -0.63 -0.00 0.00 0.00 177.39 176.58 1aou s ILE 33 N 0.03 0.01 0.00 1.47 1.01 0.82 -1.22 121.20 123.33 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 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1aou s ILE 33 CO 0.00 -0.01 0.00 -2.11 0.00 0.00 0.00 174.94 172.82 1aou n ARG 34 N -0.27 0.00 -1.70 2.79 1.85 -0.56 -0.45 116.66 118.32 1aou n ARG 34 Ca 0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.44 1aou n ARG 34 Cb 0.66 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 0.39 -0.01 0.00 0.00 177.63 178.01 1aou n GLU 35 N -0.19 2.69 -2.79 2.89 1.02 -0.66 0.08 120.64 123.68 1aou n GLU 35 Ca 0.00 0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 57.70 1aou n GLU 35 Cb 0.00 -2.84 -0.03 0.00 -0.02 0.00 0.00 31.44 28.54 1aou n GLU 35 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1aou s SER 36 N 2.17 7.02 -0.01 1.62 0.01 -0.13 -4.48 113.70 119.89 1aou s SER 36 Ca 0.80 1.27 0.07 0.00 1.31 0.00 0.00 55.95 59.39 1aou s SER 36 Cb -0.52 -2.49 0.21 0.00 0.21 0.00 0.00 66.02 63.43 1aou s SER 36 CO 0.37 -0.50 1.12 -0.62 0.41 0.00 0.00 173.24 174.01 1aou n GLU 37 N 5.63 1.66 -0.02 12.44 1.02 -1.26 -2.89 120.64 137.23 1aou n GLU 37 Ca 0.07 -0.86 -0.16 0.00 -0.02 0.00 0.00 57.16 56.20 1aou n GLU 37 Cb 0.48 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.33 1.44 -4.52 2.62 1.03 -1.96 -3.46 112.91 109.38 1aou h THR 38 Ca 0.00 -1.90 -0.12 0.00 -0.01 0.00 0.00 66.41 64.38 1aou h THR 38 Cb 0.43 2.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.98 1aou h THR 38 CO 0.03 0.55 -0.04 1.07 -0.01 0.00 0.00 175.52 177.12 1aou n THR 39 N -4.34 0.00 -0.39 0.00 5.66 -1.25 -4.94 114.28 109.03 1aou n THR 39 Ca -0.09 -0.46 0.31 0.00 -3.05 0.00 0.00 64.05 60.75 1aou n THR 39 Cb 0.58 -0.68 0.59 0.00 -1.55 0.00 0.00 70.33 69.26 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 1.57 -1.89 -3.39 116.57 114.14 1aou h LYS 40 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1aou h LYS 40 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1aou h LYS 40 CO 0.10 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 1aou n GLY 41 N -1.47 -1.74 0.00 3.86 0.00 -1.26 -5.01 105.19 99.57 1aou n GLY 41 Ca 0.33 0.69 0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 -4.34 4.61 0.00 -1.14 -4.81 120.51 114.82 1aou n ALA 42 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1aou n ALA 42 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.54 -3.73 0.00 4.01 -0.97 -0.96 117.16 116.05 1aou n TYR 43 Ca 0.00 -1.29 -0.08 0.00 -0.16 0.00 0.00 57.90 56.37 1aou n TYR 43 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.41 -0.33 -0.36 7.72 0.15 0.11 -0.52 113.70 118.06 1aou s SER 44 Ca 0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1aou s SER 44 Cb 0.00 0.66 0.14 0.00 -1.71 0.00 0.00 66.02 65.11 1aou s SER 44 CO 0.01 -1.19 0.21 -0.22 1.20 0.00 0.00 173.24 173.25 1aou s LEU 45 N -2.87 1.10 0.40 3.45 0.20 -0.22 -1.49 118.68 119.25 1aou s LEU 45 Ca 0.09 -2.23 -0.24 0.00 0.69 0.00 0.00 54.13 52.43 1aou s LEU 45 Cb -0.04 -0.44 -0.09 0.00 -0.43 0.00 0.00 46.19 45.19 1aou s LEU 45 CO 0.01 -0.30 1.08 -0.44 -0.29 0.00 0.00 176.35 176.41 1aou s SER 46 N 1.01 6.70 -0.05 3.68 0.01 -0.35 -0.92 113.70 123.78 1aou s SER 46 Ca 0.18 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1aou s SER 46 Cb -0.23 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.43 1aou s SER 46 CO 0.01 -0.54 -0.03 0.27 0.41 0.00 0.00 173.24 173.36 1aou s ILE 47 N -1.58 0.43 0.10 1.44 -4.36 -0.48 0.76 121.20 117.53 1aou s ILE 47 Ca 0.57 -0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.64 1aou s ILE 47 Cb -0.25 -0.50 -0.06 0.00 1.25 0.00 0.00 42.46 42.91 1aou s ILE 47 CO 0.31 0.22 0.93 -0.60 0.24 0.00 0.00 174.94 176.04 1aou s ARG 48 N 1.17 4.67 -0.40 0.37 6.06 -0.31 -1.13 118.95 129.38 1aou s ARG 48 Ca -0.07 1.39 0.04 0.00 -2.50 0.00 0.00 55.73 54.59 1aou s ARG 48 Cb -0.14 -3.37 0.16 0.00 0.06 0.00 0.00 34.95 31.66 1aou s ARG 48 CO -0.01 0.22 0.42 0.34 -2.50 0.00 0.00 175.30 173.77 1aou s ASP 49 N -0.01 0.84 0.55 -2.12 -1.08 -0.74 -1.42 116.67 112.69 1aou s ASP 49 Ca 0.46 -1.92 -0.18 0.00 -0.52 0.00 0.00 52.55 50.39 1aou s ASP 49 Cb -0.23 0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 41.72 1aou s ASP 49 CO 0.29 -0.21 1.05 0.86 0.52 0.00 0.00 175.17 177.68 1aou s TRP 50 N 1.06 2.98 0.12 -5.34 -0.00 -1.26 -3.71 118.94 112.80 1aou s TRP 50 Ca 0.22 1.54 0.02 0.00 -0.00 0.00 0.00 56.10 57.88 1aou s TRP 50 Cb -0.09 -3.04 -0.04 0.00 -0.00 0.00 0.00 33.47 30.29 1aou s TRP 50 CO -0.06 -1.02 -0.06 0.34 -0.00 0.00 0.00 176.95 176.14 1aou s ASP 51 N -2.45 1.31 -0.22 5.86 -1.08 -0.62 -4.85 116.67 114.62 1aou s ASP 51 Ca 0.65 -1.03 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 1aou s ASP 51 Cb -0.16 0.07 -0.09 0.00 -1.46 0.00 0.00 42.92 41.28 1aou s ASP 51 CO 0.30 -0.45 3.11 -0.90 0.52 0.00 0.00 175.17 177.76 1aou n ASP 52 N -0.11 5.85 0.00 -0.34 5.75 -1.26 -2.98 116.55 123.46 1aou n ASP 52 Ca -0.11 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 1aou n ASP 52 Cb 0.61 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 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 1.64 0.00 0.00 0.11 0.00 -1.26 -4.96 117.12 112.64 1aou n MET 53 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.13 1aou n MET 53 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.94 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 -0.42 3.25 0.00 3.17 2.85 -1.24 -5.14 118.16 120.62 1aou n LYS 54 Ca 0.00 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1aou n LYS 54 Cb 0.00 -0.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 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 0.49 -1.79 3.74 2.58 0.00 -1.16 -4.95 105.19 104.10 1aou n GLY 55 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1aou n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1aou s ASP 56 N -4.00 3.75 0.11 1.61 1.47 -1.26 -1.58 116.67 116.76 1aou s ASP 56 Ca 0.00 1.45 -0.08 0.00 1.18 0.00 0.00 52.55 55.10 1aou s ASP 56 Cb 0.00 -2.15 0.03 0.00 -0.34 0.00 0.00 42.92 40.47 1aou s ASP 56 CO 0.00 -2.46 0.41 1.41 0.68 0.00 0.00 175.17 175.21 1aou n HIS 57 N -3.76 -1.14 -3.46 2.11 8.25 -1.24 -4.84 115.22 111.12 1aou n HIS 57 Ca 0.07 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.76 1aou n HIS 57 Cb 0.55 0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 1aou n HIS 57 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1aou s VAL 58 N -2.44 0.00 0.00 1.59 0.11 -1.26 -1.79 120.40 116.62 1aou s VAL 58 Ca 0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1aou s VAL 58 Cb -0.02 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1aou s VAL 58 CO 0.03 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.09 1aou n LYS 59 N 0.00 0.21 -3.61 1.54 5.02 -0.28 -4.92 118.16 116.12 1aou n LYS 59 Ca -0.16 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 1aou n LYS 59 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.57 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 -1.90 -0.65 -0.44 2.13 3.76 -1.26 -1.38 115.29 115.56 1aou s HIS 60 Ca 0.00 1.39 0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1aou s HIS 60 Cb 0.00 0.29 0.12 0.00 1.11 0.00 0.00 32.58 34.10 1aou s HIS 60 CO 0.00 -0.45 0.19 0.71 -0.85 0.00 0.00 174.74 174.35 1aou s TYR 61 N -0.36 3.55 -0.28 1.40 2.02 -0.10 -4.85 117.35 118.73 1aou s TYR 61 Ca -0.05 -2.83 -0.32 0.00 -0.37 0.00 0.00 57.07 53.50 1aou s TYR 61 Cb -0.03 -3.03 -0.09 0.00 -0.40 0.00 0.00 41.96 38.41 1aou s TYR 61 CO 0.05 -0.90 2.20 1.17 -1.57 0.00 0.00 175.55 176.50 1aou n LYS 62 N 4.01 1.50 -2.16 -0.62 0.00 -1.26 -1.05 118.16 118.57 1aou n LYS 62 Ca 0.03 0.41 -0.29 0.00 0.00 0.00 0.00 58.31 58.46 1aou n LYS 62 Cb 0.39 -2.82 0.02 0.00 0.00 0.00 0.00 35.03 32.62 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 7.70 4.27 0.32 3.15 1.09 0.32 -4.84 121.20 133.21 1aou s ILE 63 Ca 1.05 0.45 0.05 0.00 -1.10 0.00 0.00 60.65 61.10 1aou s ILE 63 Cb -0.62 -3.70 -0.02 0.00 -1.06 0.00 0.00 42.46 37.07 1aou s ILE 63 CO 0.43 -0.82 0.18 -1.14 -0.10 0.00 0.00 174.94 173.48 1aou n ARG 64 N -2.66 0.50 -3.72 2.79 3.00 -0.92 -2.29 116.66 113.36 1aou n ARG 64 Ca 0.05 -2.90 -0.18 0.00 -0.00 0.00 0.00 57.85 54.82 1aou n ARG 64 Cb 0.56 1.94 -0.17 0.00 0.00 0.00 0.00 32.46 34.78 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 -3.25 -0.05 0.63 -0.14 2.20 -1.26 -2.49 119.74 115.37 1aou s LYS 65 Ca 0.25 0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 55.97 1aou s LYS 65 Cb 0.01 -0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1aou s LYS 65 CO 0.18 -0.26 1.30 -0.51 -0.36 0.00 0.00 175.35 175.70 1aou s LEU 66 N 1.67 3.62 0.43 5.43 2.01 -0.65 -4.79 118.68 126.39 1aou s LEU 66 Ca -0.01 2.63 0.29 0.00 0.01 0.00 0.00 54.13 57.05 1aou s LEU 66 Cb -0.12 -4.57 1.13 0.00 0.01 0.00 0.00 46.19 42.64 1aou s LEU 66 CO -0.03 -1.93 1.86 0.44 1.01 0.00 0.00 176.35 177.70 1aou h ASP 67 N 0.69 0.00 0.02 2.29 5.19 -2.00 -1.02 116.42 121.59 1aou h ASP 67 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1aou h ASP 67 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1aou h ASP 67 CO 0.54 0.00 -0.06 0.59 -3.12 0.00 0.00 179.24 177.19 1aou n ASN 68 N -2.76 1.67 -0.38 6.45 3.02 -1.26 -4.96 115.26 117.04 1aou n ASN 68 Ca 0.02 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1aou n ASN 68 Cb 0.30 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 1.24 -0.11 3.03 7.41 0.00 -0.39 -5.11 105.19 111.26 1aou n GLY 69 Ca 0.17 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.16 -0.85 -0.01 -0.02 0.00 -1.20 -4.62 107.32 100.46 1aou s GLY 70 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 1aou s GLY 70 CO 0.00 3.36 1.41 -0.19 0.00 0.00 0.00 173.10 177.68 1aou s TYR 71 N 1.61 2.81 -0.10 1.90 2.02 0.18 -1.64 117.35 124.13 1aou s TYR 71 Ca 0.18 0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 57.62 1aou s TYR 71 Cb -0.07 -3.67 0.04 0.00 -0.40 0.00 0.00 41.96 37.86 1aou s TYR 71 CO -0.06 -2.50 0.23 1.52 -1.57 0.00 0.00 175.55 173.18 1aou s TYR 72 N 2.52 -0.31 0.14 2.71 1.13 -1.04 0.43 117.35 122.94 1aou s TYR 72 Ca 0.64 0.74 0.09 0.00 -1.41 0.00 0.00 57.07 57.13 1aou s TYR 72 Cb -0.31 0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.57 1aou s TYR 72 CO 0.26 -0.22 1.39 0.82 -2.51 0.00 0.00 175.55 175.30 1aou h ILE 73 N 5.84 1.56 -4.13 -3.49 2.04 -1.87 -2.45 117.51 115.01 1aou h ILE 73 Ca -0.40 -2.94 -0.46 0.00 1.00 0.00 0.00 64.86 62.06 1aou h ILE 73 Cb 1.16 2.60 -0.28 0.00 -0.74 0.00 0.00 36.82 39.56 1aou h ILE 73 CO 0.38 0.83 -0.80 0.28 0.00 0.00 0.00 178.15 178.84 1aou s THR 74 N -2.99 1.03 -1.28 -0.27 -1.32 -1.26 -4.70 115.64 104.85 1aou s THR 74 Ca 0.01 -0.67 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 1aou s THR 74 Cb 0.11 -0.88 0.09 0.00 -1.51 0.00 0.00 72.50 70.30 1aou s THR 74 CO 0.80 0.21 1.10 0.35 -2.21 0.00 0.00 174.62 174.87 1aou n THR 75 N 2.54 1.14 0.30 5.08 -2.24 -1.26 -1.77 114.28 118.07 1aou n THR 75 Ca -0.15 0.29 0.17 0.00 -2.27 0.00 0.00 64.05 62.09 1aou n THR 75 Cb 0.55 -1.18 0.74 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.99 -0.78 2.43 -1.96 -3.43 114.38 108.65 1aou h ARG 76 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1aou h ARG 76 Cb 0.08 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.41 1aou h ARG 76 CO 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 179.97 178.50 1aou s ALA 77 N -3.68 -1.88 0.42 2.80 0.00 -0.73 -5.17 121.76 113.52 1aou s ALA 77 Ca 0.01 2.38 0.04 0.00 0.00 0.00 0.00 51.96 54.39 1aou s ALA 77 Cb 0.09 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1aou s ALA 77 CO 0.49 -0.37 0.04 1.14 0.00 0.00 0.00 175.76 177.05 1aou s GLN 78 N 1.50 1.95 0.00 0.00 0.00 -1.26 -4.26 119.66 117.59 1aou s GLN 78 Ca -0.09 -2.16 0.00 0.00 -0.00 0.00 0.00 55.36 53.11 1aou s GLN 78 Cb -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 33.01 31.73 1aou s GLN 78 CO -0.18 -0.25 0.00 1.19 0.00 0.00 0.00 175.29 176.05 1aou n PHE 79 N -0.98 -0.20 -0.09 9.60 3.01 0.17 -4.75 117.46 124.22 1aou n PHE 79 Ca -0.09 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.27 1aou n PHE 79 Cb 0.67 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.98 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 0.68 -3.57 -1.08 0.00 -1.26 -0.64 120.64 114.77 1aou n GLU 80 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 57.16 57.07 1aou n GLU 80 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 29.86 1aou n GLU 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1aou n THR 81 N -2.83 0.00 0.04 3.84 5.66 -1.26 -4.71 114.28 115.02 1aou n THR 81 Ca -0.33 -1.55 -0.07 0.00 -3.05 0.00 0.00 64.05 59.05 1aou n THR 81 Cb 1.13 0.90 -0.12 0.00 -1.55 0.00 0.00 70.33 70.70 1aou n THR 81 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1aou h LEU 82 N 0.00 0.00 -0.36 1.09 3.38 -1.97 -2.62 115.31 114.82 1aou h LEU 82 Ca -0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1aou h LEU 82 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1aou h LEU 82 CO 0.29 0.97 -0.79 -0.61 0.09 0.00 0.00 178.44 178.39 1aou h GLN 83 N 0.00 0.33 -0.30 1.13 5.75 -1.95 0.28 115.11 120.35 1aou h GLN 83 Ca -0.10 -0.30 -0.18 0.00 -0.15 0.00 0.00 58.65 57.92 1aou h GLN 83 Cb 1.82 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 30.44 1aou h GLN 83 CO 0.11 0.97 -0.52 1.96 -2.65 0.00 0.00 178.83 178.69 1aou h GLN 84 N 0.21 0.89 0.02 1.69 7.50 -1.96 -1.83 115.11 121.64 1aou h GLN 84 Ca -0.04 -0.55 -0.21 0.00 0.50 0.00 0.00 58.65 58.35 1aou h GLN 84 Cb 1.38 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.95 1aou h GLN 84 CO 0.13 1.19 -1.00 1.37 -1.50 0.00 0.00 178.83 179.02 1aou h LEU 85 N 0.68 0.09 -1.51 1.46 8.10 -1.46 -2.37 115.31 120.31 1aou h LEU 85 Ca 0.02 -0.09 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1aou h LEU 85 Cb 1.13 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1aou h LEU 85 CO 0.12 1.03 -0.08 -0.37 -4.11 0.00 0.00 178.44 175.03 1aou h VAL 86 N 0.02 0.22 -0.14 0.15 -1.51 -0.90 0.77 116.25 114.87 1aou h VAL 86 Ca -0.03 -0.66 -0.15 0.00 -1.23 0.00 0.00 66.70 64.63 1aou h VAL 86 Cb 1.72 1.53 0.01 0.00 -2.13 0.00 0.00 31.29 32.42 1aou h VAL 86 CO 0.14 0.08 -0.50 -0.61 -1.23 0.00 0.00 177.57 175.44 1aou h GLN 87 N 0.00 0.58 -0.10 5.19 4.15 -0.93 0.72 115.11 124.71 1aou h GLN 87 Ca -0.00 -0.44 -0.23 0.00 0.77 0.00 0.00 58.65 58.75 1aou h GLN 87 Cb 0.53 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.31 1aou h GLN 87 CO 0.01 1.07 -0.83 1.25 -1.93 0.00 0.00 178.83 178.40 1aou h HIS 88 N 0.22 1.04 0.00 3.99 2.76 -0.92 -2.91 115.15 119.32 1aou h HIS 88 Ca -0.02 -0.49 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1aou h HIS 88 Cb 1.13 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1aou h HIS 88 CO 0.10 1.32 0.00 0.66 -1.30 0.00 0.00 177.93 178.72 1aou n TYR 89 N -3.94 0.63 -0.03 5.26 4.02 0.21 -2.02 117.16 121.29 1aou n TYR 89 Ca -0.09 0.21 -0.07 0.00 -0.01 0.00 0.00 57.90 57.94 1aou n TYR 89 Cb 0.77 -0.84 0.10 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.65 0.50 7.72 0.02 -0.64 -3.02 113.55 118.78 1aou h SER 90 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1aou h SER 90 Cb 0.53 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1aou h SER 90 CO 0.00 0.95 -1.41 -1.84 -1.14 0.00 0.00 176.83 173.38 1aou n GLU 91 N -4.05 0.57 -4.11 3.45 0.28 -1.15 -4.93 120.64 110.70 1aou n GLU 91 Ca -0.01 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 56.87 1aou n GLU 91 Cb 0.49 -1.66 -0.10 0.00 1.43 0.00 0.00 31.44 31.60 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 -3.40 0.89 -0.02 3.44 0.52 -0.85 -5.06 118.95 114.48 1aou s ARG 92 Ca -0.03 -1.36 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 1aou s ARG 92 Cb 0.12 0.25 -0.33 0.00 0.52 0.00 0.00 34.95 35.52 1aou s ARG 92 CO 0.84 -0.25 0.81 0.00 0.02 0.00 0.00 175.30 176.72 1aou h ALA 93 N 2.88 0.01 0.00 2.13 0.00 -1.85 -3.34 119.26 119.08 1aou h ALA 93 Ca -0.34 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1aou h ALA 93 Cb 1.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1aou h ALA 93 CO 0.59 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.70 1aou n ALA 94 N -2.80 0.00 0.00 0.00 0.00 -1.26 -4.13 120.51 112.32 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 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 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 0.79 3.89 0.00 0.00 -1.26 -4.96 105.19 101.66 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 2.52 0.26 0.99 2.34 -1.26 -4.93 118.68 118.60 1aou s LEU 96 Ca 0.00 0.83 -0.04 0.00 0.06 0.00 0.00 54.13 54.98 1aou s LEU 96 Cb 0.00 -3.34 0.52 0.00 -0.56 0.00 0.00 46.19 42.81 1aou s LEU 96 CO 0.00 -1.89 1.64 -1.28 -1.06 0.00 0.00 176.35 173.76 1aou h SER 97 N -1.04 -0.24 -5.18 1.48 0.87 -2.01 -3.43 113.55 104.01 1aou h SER 97 Ca -0.46 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.19 1aou h SER 97 Cb 1.32 0.32 -0.15 0.00 -0.44 0.00 0.00 62.40 63.46 1aou h SER 97 CO 0.66 -0.17 -0.49 -0.55 -0.53 0.00 0.00 176.83 175.75 1aou s SER 98 N -5.16 0.25 0.82 6.23 0.15 -1.26 -5.07 113.70 109.66 1aou s SER 98 Ca -0.13 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.65 1aou s SER 98 Cb 0.23 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.91 1aou s SER 98 CO 0.76 -0.66 1.11 0.00 1.20 0.00 0.00 173.24 175.65 1aou s ARG 99 N -3.75 1.89 0.53 5.44 1.70 -1.26 -4.84 118.95 118.66 1aou s ARG 99 Ca 0.05 0.54 -0.06 0.00 -0.47 0.00 0.00 55.73 55.78 1aou s ARG 99 Cb 0.05 -1.90 0.10 0.00 -0.57 0.00 0.00 34.95 32.62 1aou s ARG 99 CO -0.10 -1.73 0.22 1.47 -1.08 0.00 0.00 175.30 174.08 1aou n LEU 100 N -3.49 0.00 -4.39 -1.89 -0.00 -1.24 -4.58 117.00 101.42 1aou n LEU 100 Ca 0.07 -0.22 -0.47 0.00 -0.00 0.00 0.00 56.01 55.39 1aou n LEU 100 Cb 0.57 -0.41 -0.03 0.00 -0.00 0.00 0.00 43.42 43.55 1aou n LEU 100 CO 0.57 -1.88 -0.07 1.33 -0.00 0.00 0.00 177.39 177.34 1aou n VAL 101 N -3.47 1.80 -2.84 1.47 0.24 -1.00 -4.56 118.33 109.96 1aou n VAL 101 Ca 0.03 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.74 1aou n VAL 101 Cb 0.15 -0.01 0.04 0.00 -1.47 0.00 0.00 33.84 32.55 1aou n VAL 101 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1aou n VAL 102 N -0.15 0.00 -1.81 3.34 0.31 -1.25 -4.91 118.33 113.86 1aou n VAL 102 Ca 0.17 -0.81 -0.31 0.00 -0.01 0.00 0.00 64.34 63.38 1aou n VAL 102 Cb 0.27 -0.89 0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1aou n VAL 102 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1aou s PRO 103 N -3.28 3.43 -1.49 5.55 0.04 -1.26 -3.95 135.00 134.03 1aou s PRO 103 Ca 0.28 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.08 1aou s PRO 103 Cb -0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1aou s PRO 103 CO 0.18 -0.70 0.16 0.43 0.04 0.00 0.00 177.00 177.11 1aou n SER 104 N -2.84 0.47 0.24 6.66 7.64 -1.26 -4.77 113.62 119.75 1aou n SER 104 Ca 0.06 -1.18 0.08 0.00 1.01 0.00 0.00 58.87 58.85 1aou n SER 104 Cb 0.54 -2.14 0.59 0.00 -1.01 0.00 0.00 64.21 62.19 1aou n SER 104 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1aou h HIS 105 N -1.81 0.00 0.00 1.43 2.07 -1.99 -3.52 115.15 111.33 1aou h HIS 105 Ca -0.65 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.87 1aou h HIS 105 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1aou h HIS 105 CO 0.51 0.17 0.00 1.17 -3.07 0.00 0.00 177.93 176.71