#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 0.00 2.46 -5.35 -1.26 -4.74 119.36 110.47 1aou n ILE 2 Ca 0.00 0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 1aou n ILE 2 Cb 0.00 -0.98 0.00 0.00 -1.74 0.00 0.00 39.64 36.92 1aou n ILE 2 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aou n GLN 3 N 0.00 0.00 0.00 6.28 1.13 -1.26 -4.93 117.38 118.60 1aou n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1aou n GLN 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1aou n GLN 3 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aou n ALA 4 N -3.00 0.00 0.00 -1.58 0.00 -1.26 -5.02 120.51 109.65 1aou n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1aou n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.40 0.00 -0.05 0.00 0.28 -1.25 -4.94 120.64 113.28 1aou n GLU 5 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1aou n GLU 5 Cb 0.00 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.74 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 0.70 -0.28 3.44 1.02 -1.26 -4.59 120.64 119.67 1aou n GLU 6 Ca 0.00 0.27 0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1aou n GLU 6 Cb 0.00 -1.65 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.58 0.00 -3.70 -0.32 4.27 -1.26 -4.56 117.44 108.29 1aou n TRP 7 Ca -0.37 -0.11 -0.12 0.00 -3.89 0.00 0.00 57.50 53.00 1aou n TRP 7 Cb 0.98 -0.04 -0.13 0.00 -1.36 0.00 0.00 31.31 30.76 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 -0.31 -0.42 -0.23 -2.67 6.14 -1.26 0.27 117.35 118.88 1aou s TYR 8 Ca 0.03 0.95 0.02 0.00 0.64 0.00 0.00 57.07 58.70 1aou s TYR 8 Cb 0.02 0.06 -0.19 0.00 0.42 0.00 0.00 41.96 42.28 1aou s TYR 8 CO 0.00 -0.30 -0.10 1.19 0.64 0.00 0.00 175.55 176.99 1aou n PHE 9 N 4.65 0.23 0.00 4.97 3.01 -0.73 -3.77 117.46 125.82 1aou n PHE 9 Ca -0.18 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1aou n PHE 9 Cb 0.52 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 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 2.18 0.75 2.91 1.37 0.00 -1.25 -4.91 105.19 106.24 1aou n GLY 10 Ca -0.42 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 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 3.63 -3.75 1.61 5.02 -1.26 -1.15 118.16 122.25 1aou n LYS 11 Ca 0.00 -4.57 -0.20 0.00 -2.02 0.00 0.00 58.31 51.52 1aou n LYS 11 Cb 0.00 -2.44 -0.02 0.00 -0.02 0.00 0.00 35.03 32.55 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 -2.35 3.90 0.32 -0.35 2.96 -1.26 -4.81 118.68 117.09 1aou s LEU 12 Ca 0.33 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1aou s LEU 12 Cb 0.04 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1aou s LEU 12 CO 0.02 -0.29 0.16 -0.83 -1.32 0.00 0.00 176.35 174.09 1aou s GLY 13 N -4.04 1.82 0.63 7.98 0.00 -1.26 -4.05 107.32 108.41 1aou s GLY 13 Ca 0.40 -1.73 0.41 0.00 0.00 0.00 0.00 44.72 43.80 1aou s GLY 13 CO 0.29 -1.69 2.27 0.07 0.00 0.00 0.00 173.10 174.03 1aou h ARG 14 N 1.53 0.00 -0.22 2.90 0.11 -1.99 -1.73 114.38 114.98 1aou h ARG 14 Ca -0.44 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.46 1aou h ARG 14 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1aou h ARG 14 CO 0.62 0.00 -0.56 -0.22 0.10 0.00 0.00 179.97 179.91 1aou h LYS 15 N 0.00 0.77 -0.17 0.08 3.64 -2.00 -2.84 116.57 116.05 1aou h LYS 15 Ca -0.00 -0.54 -0.20 0.00 -1.27 0.00 0.00 60.65 58.65 1aou h LYS 15 Cb 0.14 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1aou h LYS 15 CO 0.00 1.16 -0.69 0.22 -2.27 0.00 0.00 179.45 177.87 1aou h ASP 16 N 0.51 0.82 -0.44 4.20 1.82 -1.77 -2.34 116.42 119.22 1aou h ASP 16 Ca -0.01 -0.50 0.09 0.00 -0.39 0.00 0.00 57.03 56.22 1aou h ASP 16 Cb 1.18 -0.24 -0.09 0.00 0.68 0.00 0.00 39.33 40.86 1aou h ASP 16 CO 0.12 1.28 -0.21 0.00 -1.61 0.00 0.00 179.24 178.82 1aou h ALA 17 N 0.72 0.10 0.00 -0.78 0.00 -1.27 0.96 119.26 118.99 1aou h ALA 17 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1aou h ALA 17 Cb 1.29 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1aou h ALA 17 CO 0.14 -0.57 -0.21 1.05 0.00 0.00 0.00 179.25 179.66 1aou h GLU 18 N -0.12 0.00 0.00 0.00 4.11 -1.45 -2.41 114.58 114.71 1aou h GLU 18 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1aou h GLU 18 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1aou h GLU 18 CO -0.52 0.21 0.00 -2.13 0.07 0.00 0.00 179.01 176.65 1aou n ARG 19 N -4.02 0.00 -0.57 1.06 3.00 0.28 -1.37 116.66 115.03 1aou n ARG 19 Ca -0.02 0.00 0.44 0.00 -0.00 0.00 0.00 57.85 58.27 1aou n ARG 19 Cb 0.29 -0.53 0.68 0.00 0.00 0.00 0.00 32.46 32.90 1aou n ARG 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1aou n GLN 20 N -0.43 -0.00 -0.03 -0.14 0.00 0.17 0.72 117.38 117.67 1aou n GLN 20 Ca 0.00 0.94 -0.00 0.00 -0.00 0.00 0.00 57.00 57.93 1aou n GLN 20 Cb 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 30.24 28.13 1aou n GLN 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1aou h LEU 21 N 0.00 -0.02 0.39 1.69 4.07 -1.53 -2.92 115.31 116.99 1aou h LEU 21 Ca 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.73 1aou h LEU 21 Cb 3.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.84 1aou h LEU 21 CO -0.06 0.32 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.36 1aou h LEU 22 N -0.68 -0.45 0.00 1.67 3.38 0.39 -3.39 115.31 116.24 1aou h LEU 22 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aou h LEU 22 Cb 0.01 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1aou h LEU 22 CO 0.00 -0.11 0.00 -0.24 0.09 0.00 0.00 178.44 178.18 1aou n SER 23 N -4.58 0.00 -3.78 -0.43 2.88 0.22 -4.80 113.62 103.13 1aou n SER 23 Ca -0.07 0.28 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 1aou n SER 23 Cb 0.21 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.56 -0.26 0.00 0.66 5.36 -1.23 -5.01 117.98 116.94 1aou s PHE 24 Ca 0.00 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.57 1aou s PHE 24 Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 1aou s PHE 24 CO 0.00 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1aou n GLY 25 N 2.57 -1.43 3.22 13.12 0.00 -1.10 -4.26 105.19 117.31 1aou n GLY 25 Ca -0.15 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.43 0.93 1.61 0.01 -1.26 -5.09 114.94 107.56 1aou s ASN 26 Ca 0.00 -1.36 -0.14 0.00 -0.71 0.00 0.00 52.86 50.65 1aou s ASN 26 Cb 0.00 0.31 0.16 0.00 0.41 0.00 0.00 41.25 42.13 1aou s ASN 26 CO 0.00 -0.79 1.22 -2.16 -1.51 0.00 0.00 177.10 173.86 1aou s PRO 27 N -4.11 0.99 1.00 -0.60 0.04 -1.26 -4.88 135.00 126.18 1aou s PRO 27 Ca 0.36 -0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.16 1aou s PRO 27 Cb 0.07 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1aou s PRO 27 CO 0.11 -2.23 -0.62 2.89 0.04 0.00 0.00 177.00 177.19 1aou n ARG 28 N -3.72 -0.16 -1.16 4.56 1.85 -1.26 -3.05 116.66 113.71 1aou n ARG 28 Ca 0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 57.85 56.90 1aou n ARG 28 Cb 0.60 -1.23 -0.01 0.00 -1.05 0.00 0.00 32.46 30.77 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 2.98 0.53 3.36 2.89 0.00 -0.94 -4.98 105.19 109.02 1aou n GLY 29 Ca 0.00 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.60 1aou n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aou s THR 30 N -2.09 5.01 -0.66 2.61 2.01 -1.17 -4.40 115.64 116.96 1aou s THR 30 Ca 0.00 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.46 1aou s THR 30 Cb 0.00 -4.48 0.13 0.00 0.01 0.00 0.00 72.50 68.16 1aou s THR 30 CO 0.00 -1.09 0.73 -0.36 -0.69 0.00 0.00 174.62 173.20 1aou s PHE 31 N 2.09 3.19 0.61 4.92 0.40 -1.26 -1.39 117.98 126.55 1aou s PHE 31 Ca 0.12 -1.25 0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1aou s PHE 31 Cb -0.22 -3.97 0.08 0.00 0.51 0.00 0.00 43.02 39.42 1aou s PHE 31 CO 0.02 -1.22 0.85 -0.48 0.70 0.00 0.00 175.22 175.09 1aou s LEU 32 N 2.05 3.16 0.32 -0.37 0.05 0.17 -3.31 118.68 120.74 1aou s LEU 32 Ca 0.13 -0.34 0.03 0.00 0.05 0.00 0.00 54.13 54.01 1aou s LEU 32 Cb -0.21 -2.28 -0.06 0.00 -2.05 0.00 0.00 46.19 41.60 1aou s LEU 32 CO 0.01 -1.43 0.08 -0.63 -0.55 0.00 0.00 176.35 173.83 1aou s ILE 33 N -2.86 0.97 0.00 1.48 1.01 0.77 0.97 121.20 123.54 1aou s ILE 33 Ca 0.61 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1aou s ILE 33 Cb -0.07 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1aou s ILE 33 CO 0.40 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 173.23 1aou n ARG 34 N -0.66 0.00 -2.21 2.79 -4.01 -0.80 -1.77 116.66 110.00 1aou n ARG 34 Ca -0.02 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.37 1aou n ARG 34 Cb 0.66 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 30.05 1aou n ARG 34 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1aou s GLU 35 N -2.00 4.33 -0.07 2.89 2.02 -0.30 0.63 118.70 126.20 1aou s GLU 35 Ca 0.00 2.02 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 1aou s GLU 35 Cb 0.00 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 1aou s GLU 35 CO 0.00 -0.42 1.26 -1.12 0.02 0.00 0.00 175.26 175.00 1aou s SER 36 N 1.16 6.98 -0.05 -0.19 0.01 -0.26 -4.41 113.70 116.94 1aou s SER 36 Ca 0.64 1.86 0.09 0.00 1.31 0.00 0.00 55.95 59.84 1aou s SER 36 Cb -0.35 -2.55 0.35 0.00 0.21 0.00 0.00 66.02 63.67 1aou s SER 36 CO 0.30 -0.66 1.17 -0.62 0.41 0.00 0.00 173.24 173.84 1aou n GLU 37 N 5.59 2.31 0.09 12.44 1.02 -1.26 -3.09 120.64 137.74 1aou n GLU 37 Ca 0.12 -1.36 -0.23 0.00 -0.02 0.00 0.00 57.16 55.67 1aou n GLU 37 Cb 0.45 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.95 1.16 -4.33 2.62 1.03 -1.97 -3.48 112.91 109.90 1aou h THR 38 Ca 0.00 -2.57 -0.11 0.00 -0.01 0.00 0.00 66.41 63.72 1aou h THR 38 Cb 0.82 2.93 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 1aou h THR 38 CO 0.11 0.80 -0.05 1.07 -0.01 0.00 0.00 175.52 177.44 1aou n THR 39 N -3.76 0.00 -0.38 0.00 5.66 -1.25 -4.95 114.28 109.59 1aou n THR 39 Ca -0.20 -0.41 0.30 0.00 -3.05 0.00 0.00 64.05 60.69 1aou n THR 39 Cb 1.03 -0.38 0.57 0.00 -1.55 0.00 0.00 70.33 70.00 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 -1.91 -3.39 116.57 114.12 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 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 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 -1.42 -1.74 0.00 3.86 0.00 -1.26 -5.02 105.19 99.60 1aou n GLY 41 Ca 0.34 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -4.28 4.61 0.00 -1.18 -4.77 120.51 114.90 1aou n ALA 42 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 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 -0.10 0.46 -3.70 0.00 4.01 -0.95 -1.10 117.16 115.78 1aou n TYR 43 Ca 0.00 -1.24 -0.07 0.00 -0.16 0.00 0.00 57.90 56.42 1aou n TYR 43 Cb 0.00 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1aou n TYR 43 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1aou s SER 44 N -2.34 -0.32 -0.34 7.72 0.01 0.20 -0.25 113.70 118.38 1aou s SER 44 Ca 0.02 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1aou s SER 44 Cb 0.00 0.60 0.14 0.00 0.21 0.00 0.00 66.02 66.98 1aou s SER 44 CO 0.02 -1.08 0.28 -0.22 0.41 0.00 0.00 173.24 172.65 1aou s LEU 45 N -2.84 0.37 0.49 2.44 2.96 -0.33 -1.90 118.68 119.87 1aou s LEU 45 Ca 0.09 -1.68 -0.20 0.00 -0.22 0.00 0.00 54.13 52.12 1aou s LEU 45 Cb -0.03 0.10 -0.08 0.00 0.50 0.00 0.00 46.19 46.67 1aou s LEU 45 CO -0.00 -0.31 1.03 -0.44 -1.32 0.00 0.00 176.35 175.31 1aou s SER 46 N 1.48 6.36 -0.05 3.68 0.01 0.27 -0.87 113.70 124.58 1aou s SER 46 Ca 0.16 1.90 -0.02 0.00 1.31 0.00 0.00 55.95 59.29 1aou s SER 46 Cb -0.18 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.53 1aou s SER 46 CO -0.09 -0.77 0.09 -0.51 0.41 0.00 0.00 173.24 172.37 1aou s ILE 47 N -2.03 -0.14 0.36 1.44 -1.16 -0.65 0.41 121.20 119.43 1aou s ILE 47 Ca 0.67 0.36 -0.22 0.00 -0.51 0.00 0.00 60.65 60.95 1aou s ILE 47 Cb -0.16 -0.19 -0.10 0.00 0.61 0.00 0.00 42.46 42.62 1aou s ILE 47 CO 0.20 0.15 0.89 -0.60 -2.81 0.00 0.00 174.94 172.78 1aou s ARG 48 N 1.96 4.32 -0.41 3.50 3.52 -0.48 -0.26 118.95 131.10 1aou s ARG 48 Ca 0.01 1.10 0.06 0.00 -0.13 0.00 0.00 55.73 56.78 1aou s ARG 48 Cb -0.12 -2.50 0.17 0.00 -1.56 0.00 0.00 34.95 30.94 1aou s ARG 48 CO -0.04 0.15 0.55 0.34 -0.81 0.00 0.00 175.30 175.49 1aou s ASP 49 N -1.94 -0.62 0.58 -2.12 2.15 -0.79 -2.22 116.67 111.70 1aou s ASP 49 Ca 0.55 -1.16 -0.15 0.00 0.43 0.00 0.00 52.55 52.23 1aou s ASP 49 Cb -0.13 1.47 -0.05 0.00 -0.30 0.00 0.00 42.92 43.91 1aou s ASP 49 CO 0.18 -0.19 1.02 0.86 -0.17 0.00 0.00 175.17 176.88 1aou s TRP 50 N 1.60 3.30 0.05 -5.34 -0.00 -1.26 -3.57 118.94 113.72 1aou s TRP 50 Ca 0.18 1.44 -0.01 0.00 -0.00 0.00 0.00 56.10 57.71 1aou s TRP 50 Cb -0.07 -2.86 -0.04 0.00 -0.00 0.00 0.00 33.47 30.50 1aou s TRP 50 CO -0.06 -0.76 -0.03 -0.51 -0.00 0.00 0.00 176.95 175.60 1aou s ASP 51 N -3.26 0.50 -0.23 5.86 1.11 -0.59 -4.93 116.67 115.12 1aou s ASP 51 Ca 0.60 -0.98 -0.05 0.00 0.18 0.00 0.00 52.55 52.30 1aou s ASP 51 Cb -0.12 0.19 -0.10 0.00 1.07 0.00 0.00 42.92 43.96 1aou s ASP 51 CO 0.40 -0.58 3.20 -0.67 1.18 0.00 0.00 175.17 178.69 1aou n ASP 52 N 0.17 5.86 0.00 0.27 2.03 -1.26 -2.93 116.55 120.69 1aou n ASP 52 Ca -0.14 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1aou n ASP 52 Cb 0.61 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1aou n ASP 52 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1aou n MET 53 N 1.69 0.00 0.00 -0.67 0.00 -1.26 -4.97 117.12 111.91 1aou n MET 53 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1aou n MET 53 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.95 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 -0.33 3.19 0.00 3.17 2.85 -1.24 -5.14 118.16 120.66 1aou n LYS 54 Ca 0.00 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1aou n LYS 54 Cb 0.00 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.04 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 0.47 -1.78 3.81 2.58 0.00 -1.15 -4.95 105.19 104.17 1aou n GLY 55 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 4.79 0.10 1.61 1.47 -1.26 -1.55 116.67 117.83 1aou s ASP 56 Ca 0.00 1.40 -0.04 0.00 1.18 0.00 0.00 52.55 55.10 1aou s ASP 56 Cb 0.00 -2.18 0.02 0.00 -0.34 0.00 0.00 42.92 40.41 1aou s ASP 56 CO 0.00 -1.79 0.20 1.41 0.68 0.00 0.00 175.17 175.67 1aou n HIS 57 N -3.33 -1.33 -3.68 2.11 8.25 -1.23 -4.85 115.22 111.16 1aou n HIS 57 Ca 0.07 -0.47 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 1aou n HIS 57 Cb 0.55 0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.88 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 -2.76 0.00 0.08 1.59 0.11 -1.26 -1.89 120.40 116.27 1aou s VAL 58 Ca 0.04 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1aou s VAL 58 Cb -0.01 -1.59 -0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1aou s VAL 58 CO 0.03 0.00 0.10 0.29 -3.33 0.00 0.00 175.10 172.19 1aou n LYS 59 N -0.43 0.15 -3.64 1.54 4.01 0.64 -4.89 118.16 115.54 1aou n LYS 59 Ca -0.09 -0.72 -0.15 0.00 -0.51 0.00 0.00 58.31 56.83 1aou n LYS 59 Cb 0.61 0.66 -0.08 0.00 -0.51 0.00 0.00 35.03 35.72 1aou n LYS 59 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1aou s HIS 60 N -3.73 -0.58 -0.47 2.13 3.76 -1.26 -1.64 115.29 113.50 1aou s HIS 60 Ca 0.08 1.23 0.03 0.00 -0.15 0.00 0.00 55.06 56.26 1aou s HIS 60 Cb 0.00 0.26 0.13 0.00 1.11 0.00 0.00 32.58 34.08 1aou s HIS 60 CO 0.06 -0.42 0.22 0.71 -0.85 0.00 0.00 174.74 174.45 1aou s TYR 61 N -0.44 2.99 -0.32 1.40 2.02 -0.05 -4.90 117.35 118.05 1aou s TYR 61 Ca -0.06 -2.96 -0.33 0.00 -0.37 0.00 0.00 57.07 53.35 1aou s TYR 61 Cb -0.03 -2.62 -0.09 0.00 -0.40 0.00 0.00 41.96 38.81 1aou s TYR 61 CO 0.04 -0.78 2.21 1.17 -1.57 0.00 0.00 175.55 176.62 1aou n LYS 62 N 3.42 1.34 -2.41 -0.62 0.00 -1.26 -1.19 118.16 117.44 1aou n LYS 62 Ca 0.05 0.35 -0.32 0.00 0.00 0.00 0.00 58.31 58.40 1aou n LYS 62 Cb 0.34 -2.72 -0.03 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 7.79 4.55 -0.07 3.15 1.09 0.65 -4.84 121.20 133.52 1aou s ILE 63 Ca 1.07 1.18 -0.01 0.00 -1.10 0.00 0.00 60.65 61.80 1aou s ILE 63 Cb -0.68 -3.72 0.03 0.00 -1.06 0.00 0.00 42.46 37.02 1aou s ILE 63 CO 0.44 -0.69 -0.02 -0.60 -0.10 0.00 0.00 174.94 173.97 1aou s ARG 64 N -4.07 0.77 -0.12 2.79 6.06 -0.99 -2.24 118.95 121.15 1aou s ARG 64 Ca 0.58 0.01 -0.05 0.00 -2.50 0.00 0.00 55.73 53.77 1aou s ARG 64 Cb -0.10 -1.00 -0.04 0.00 0.06 0.00 0.00 34.95 33.87 1aou s ARG 64 CO 0.32 -0.24 0.07 0.21 -2.50 0.00 0.00 175.30 173.16 1aou s LYS 65 N 1.66 3.41 0.27 5.12 2.20 -1.26 -2.16 119.74 128.98 1aou s LYS 65 Ca 0.01 -0.28 -0.26 0.00 -0.36 0.00 0.00 55.97 55.07 1aou s LYS 65 Cb -0.13 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 1aou s LYS 65 CO -0.04 0.62 0.89 -0.51 -0.36 0.00 0.00 175.35 175.95 1aou s LEU 66 N -0.62 4.45 0.41 5.43 2.01 -0.53 -4.90 118.68 124.93 1aou s LEU 66 Ca 0.11 1.77 0.28 0.00 0.01 0.00 0.00 54.13 56.31 1aou s LEU 66 Cb -0.12 -3.75 1.10 0.00 0.01 0.00 0.00 46.19 43.42 1aou s LEU 66 CO 0.02 0.04 1.84 0.44 1.01 0.00 0.00 176.35 179.70 1aou h ASP 67 N 3.60 0.00 1.23 2.29 3.32 -1.98 -0.89 116.42 123.98 1aou h ASP 67 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1aou h ASP 67 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1aou h ASP 67 CO 0.66 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 178.75 1aou n ASN 68 N -2.71 0.42 0.00 6.45 5.03 -1.26 -4.93 115.26 118.27 1aou n ASN 68 Ca 0.02 0.52 0.00 0.00 0.87 0.00 0.00 54.58 55.99 1aou n ASN 68 Cb 0.31 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 1aou n ASN 68 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aou n GLY 69 N 1.40 0.54 2.96 7.41 0.00 -0.34 -5.12 105.19 112.04 1aou n GLY 69 Ca 0.06 -0.66 0.01 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 0.00 -1.42 -0.10 -0.02 0.00 -1.17 -4.75 107.32 99.86 1aou s GLY 70 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.06 1aou s GLY 70 CO 0.00 3.97 1.19 -0.19 0.00 0.00 0.00 173.10 178.07 1aou s TYR 71 N 1.77 3.14 -0.24 1.90 2.02 -0.08 -1.45 117.35 124.41 1aou s TYR 71 Ca 0.17 1.21 -0.10 0.00 -0.37 0.00 0.00 57.07 57.98 1aou s TYR 71 Cb 0.00 -3.41 0.09 0.00 -0.40 0.00 0.00 41.96 38.24 1aou s TYR 71 CO -0.10 -1.27 0.54 1.52 -1.57 0.00 0.00 175.55 174.67 1aou s TYR 72 N 2.56 -0.97 -0.09 2.71 1.13 -0.92 0.14 117.35 121.92 1aou s TYR 72 Ca 0.54 1.83 0.13 0.00 -1.41 0.00 0.00 57.07 58.17 1aou s TYR 72 Cb -0.23 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.12 1aou s TYR 72 CO 0.19 -0.51 1.34 0.82 -2.51 0.00 0.00 175.55 174.88 1aou h ILE 73 N 5.72 1.03 -4.06 -3.49 2.04 -1.82 -2.62 117.51 114.31 1aou h ILE 73 Ca -0.24 -2.48 -0.41 0.00 1.00 0.00 0.00 64.86 62.73 1aou h ILE 73 Cb 1.15 2.49 -0.27 0.00 -0.74 0.00 0.00 36.82 39.44 1aou h ILE 73 CO 0.16 0.58 -0.78 0.28 0.00 0.00 0.00 178.15 178.39 1aou s THR 74 N -2.89 0.84 -1.53 -0.27 -1.32 -1.26 -4.75 115.64 104.45 1aou s THR 74 Ca 0.03 -0.58 0.06 0.00 -1.21 0.00 0.00 61.69 59.99 1aou s THR 74 Cb 0.08 -0.73 0.13 0.00 -1.51 0.00 0.00 72.50 70.47 1aou s THR 74 CO 0.77 0.14 1.02 0.35 -2.21 0.00 0.00 174.62 174.69 1aou n THR 75 N 2.56 0.74 1.22 5.08 -2.24 -1.26 -1.70 114.28 118.68 1aou n THR 75 Ca -0.15 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.96 1aou n THR 75 Cb 0.56 -1.08 0.61 0.00 -2.10 0.00 0.00 70.33 68.32 1aou n THR 75 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1aou n ARG 76 N -1.24 0.30 -3.16 -0.78 0.63 -1.26 -4.68 116.66 106.48 1aou n ARG 76 Ca 0.03 -0.06 0.03 0.00 -0.92 0.00 0.00 57.85 56.93 1aou n ARG 76 Cb 0.05 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 31.45 1aou n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aou s ALA 77 N -2.75 -2.32 0.36 5.13 0.00 -0.69 -5.15 121.76 116.33 1aou s ALA 77 Ca 0.21 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.32 1aou s ALA 77 Cb 0.19 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1aou s ALA 77 CO 0.52 -1.79 0.31 -0.65 0.00 0.00 0.00 175.76 174.15 1aou s GLN 78 N 2.82 2.67 0.00 0.00 1.11 -1.26 -4.37 119.66 120.63 1aou s GLN 78 Ca 0.11 -1.36 0.00 0.00 0.01 0.00 0.00 55.36 54.12 1aou s GLN 78 Cb -0.11 -2.45 0.00 0.00 -1.01 0.00 0.00 33.01 29.45 1aou s GLN 78 CO -0.26 0.02 0.00 1.19 0.01 0.00 0.00 175.29 176.26 1aou n PHE 79 N -1.41 -0.10 -0.09 0.91 3.01 0.12 -4.78 117.46 115.12 1aou n PHE 79 Ca -0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 1aou n PHE 79 Cb 0.60 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.77 -3.91 -1.08 0.00 -1.26 -0.90 120.64 114.25 1aou n GLU 80 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 57.16 56.98 1aou n GLU 80 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.90 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 -2.68 0.00 0.08 3.84 5.66 -1.26 -4.66 114.28 115.27 1aou n THR 81 Ca -0.29 -1.83 -0.12 0.00 -3.05 0.00 0.00 64.05 58.76 1aou n THR 81 Cb 1.08 1.06 -0.13 0.00 -1.55 0.00 0.00 70.33 70.79 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 0.25 -0.44 1.09 3.38 -1.96 -2.47 115.31 115.16 1aou h LEU 82 Ca -0.25 -0.27 -0.18 0.00 0.09 0.00 0.00 57.88 57.27 1aou h LEU 82 Cb 1.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1aou h LEU 82 CO 0.34 1.22 -0.71 -0.61 0.09 0.00 0.00 178.44 178.77 1aou h GLN 83 N 0.04 0.37 -0.06 1.13 -0.00 -1.96 -1.15 115.11 113.48 1aou h GLN 83 Ca -0.09 -0.30 -0.15 0.00 -0.00 0.00 0.00 58.65 58.11 1aou h GLN 83 Cb 1.89 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.42 1aou h GLN 83 CO 0.17 0.94 -0.62 1.96 0.00 0.00 0.00 178.83 181.28 1aou h GLN 84 N 0.26 0.23 0.11 1.69 7.50 -1.95 -1.95 115.11 121.00 1aou h GLN 84 Ca -0.03 -0.16 -0.28 0.00 0.50 0.00 0.00 58.65 58.68 1aou h GLN 84 Cb 1.27 0.03 0.02 0.00 0.05 0.00 0.00 27.48 28.85 1aou h GLN 84 CO 0.12 0.77 -1.21 1.37 -1.50 0.00 0.00 178.83 178.38 1aou h LEU 85 N 0.17 0.71 -2.21 1.46 8.10 -1.35 -2.43 115.31 119.76 1aou h LEU 85 Ca -0.01 -0.67 -0.01 0.00 0.11 0.00 0.00 57.88 57.30 1aou h LEU 85 Cb 1.13 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 41.12 1aou h LEU 85 CO 0.10 1.49 -0.06 -0.37 -4.11 0.00 0.00 178.44 175.49 1aou h VAL 86 N 0.21 0.41 -0.16 0.15 -1.51 -1.14 0.10 116.25 114.31 1aou h VAL 86 Ca -0.16 -0.30 -0.07 0.00 -1.23 0.00 0.00 66.70 64.93 1aou h VAL 86 Cb 1.89 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 32.26 1aou h VAL 86 CO 0.22 0.06 -0.17 -0.61 -1.23 0.00 0.00 177.57 175.84 1aou h GLN 87 N 0.00 0.40 0.01 5.19 4.15 -0.94 0.13 115.11 124.05 1aou h GLN 87 Ca -0.00 -0.22 -0.17 0.00 0.77 0.00 0.00 58.65 59.03 1aou h GLN 87 Cb 0.21 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.92 1aou h GLN 87 CO 0.01 0.78 -0.67 1.25 -1.93 0.00 0.00 178.83 178.27 1aou h HIS 88 N 0.04 0.66 0.00 3.99 2.76 -0.87 -3.03 115.15 118.70 1aou h HIS 88 Ca 0.02 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 1aou h HIS 88 Cb 0.71 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1aou h HIS 88 CO 0.08 1.19 0.00 0.66 -1.30 0.00 0.00 177.93 178.56 1aou n TYR 89 N -4.17 0.36 0.26 5.26 4.02 0.28 -2.05 117.16 121.12 1aou n TYR 89 Ca -0.11 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.04 1aou n TYR 89 Cb 0.71 -0.71 0.71 0.00 -0.02 0.00 0.00 39.34 40.02 1aou n TYR 89 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1aou h SER 90 N 0.00 0.00 0.00 7.72 0.87 -0.60 -2.48 113.55 119.06 1aou h SER 90 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aou h SER 90 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1aou h SER 90 CO 0.00 0.13 -1.11 -0.62 -0.53 0.00 0.00 176.83 174.70 1aou n GLU 91 N -3.63 1.54 -4.11 2.24 1.02 -0.98 -4.79 120.64 111.94 1aou n GLU 91 Ca -0.02 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 1aou n GLU 91 Cb 0.25 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.44 0.67 -0.18 3.49 0.52 -0.87 -5.06 118.95 115.08 1aou s ARG 92 Ca -0.01 -1.00 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 1aou s ARG 92 Cb 0.07 -0.30 -0.22 0.00 0.52 0.00 0.00 34.95 35.02 1aou s ARG 92 CO 0.43 0.03 0.22 0.00 0.02 0.00 0.00 175.30 176.00 1aou n ALA 93 N 0.85 0.89 0.00 2.13 0.00 -1.26 -3.98 120.51 119.13 1aou n ALA 93 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1aou n ALA 93 Cb 0.57 -0.54 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 -3.29 0.00 0.00 0.00 0.00 -1.26 -4.01 120.51 111.95 1aou n ALA 94 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1aou n ALA 94 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 0.00 0.00 -1.26 -5.04 105.19 97.69 1aou n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aou n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1aou n LEU 96 N 0.00 0.00 -0.19 0.99 -0.00 -1.26 -4.92 117.00 111.63 1aou n LEU 96 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1aou n LEU 96 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1aou n LEU 96 CO 0.00 -0.48 0.71 0.28 -0.00 0.00 0.00 177.39 177.90 1aou h SER 97 N -0.06 -0.73 0.00 1.45 0.02 -1.98 -3.44 113.55 108.81 1aou h SER 97 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1aou h SER 97 Cb 0.00 0.42 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1aou h SER 97 CO 0.00 -0.24 0.00 -1.20 -1.14 0.00 0.00 176.83 174.25 1aou n SER 98 N -5.42 0.00 0.00 3.07 7.64 -1.26 -5.09 113.62 112.56 1aou n SER 98 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1aou n SER 98 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1aou n SER 98 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1aou n ARG 99 N 0.00 0.00 0.00 1.43 1.74 -1.26 -4.67 116.66 113.90 1aou n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1aou n ARG 99 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1aou n ARG 99 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aou n LEU 100 N 0.00 0.00 -1.95 0.55 7.99 -1.25 -4.76 117.00 117.59 1aou n LEU 100 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 1aou n LEU 100 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 1aou n LEU 100 CO 0.00 0.00 1.39 0.55 -1.51 0.00 0.00 177.39 177.82 1aou n VAL 101 N 0.00 2.77 -1.61 4.08 3.14 -1.21 -4.29 118.33 121.21 1aou n VAL 101 Ca 0.00 -1.55 0.00 0.00 -2.96 0.00 0.00 64.34 59.83 1aou n VAL 101 Cb 0.00 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 1aou n VAL 101 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1aou n VAL 102 N 1.61 -4.77 0.04 1.55 0.31 -1.26 -4.65 118.33 111.17 1aou n VAL 102 Ca 0.31 2.20 -0.20 0.00 -0.01 0.00 0.00 64.34 66.64 1aou n VAL 102 Cb 0.69 -3.14 -0.11 0.00 -0.91 0.00 0.00 33.84 30.37 1aou n VAL 102 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1aou h PRO 103 N 1.29 0.63 -2.34 5.55 0.13 -1.91 -3.39 132.00 131.95 1aou h PRO 103 Ca 0.00 -0.71 -0.59 0.00 -0.87 0.00 0.00 66.00 63.84 1aou h PRO 103 Cb 0.25 0.21 -0.39 0.00 0.13 0.00 0.00 31.00 31.20 1aou h PRO 103 CO 0.00 1.29 -0.91 0.45 -0.23 0.00 0.00 178.00 178.61 1aou n SER 104 N -3.92 0.84 -4.10 1.44 2.88 -1.26 -5.10 113.62 104.39 1aou n SER 104 Ca -0.11 -2.75 -0.47 0.00 -1.33 0.00 0.00 58.87 54.20 1aou n SER 104 Cb 0.86 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 1aou n SER 104 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1aou n HIS 105 N 1.98 -0.17 0.00 0.66 8.25 -1.26 -5.27 115.22 119.41 1aou n HIS 105 Ca 0.26 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 1aou n HIS 105 Cb 0.47 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.73 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15