#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aou s ILE 2 N 0.00 2.21 0.16 0.44 -4.36 -1.26 -4.97 121.20 113.41 1aou s ILE 2 Ca 0.00 -0.49 -0.30 0.00 -0.26 0.00 0.00 60.65 59.60 1aou s ILE 2 Cb 0.00 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 1aou s ILE 2 CO 0.00 0.00 1.55 -0.61 0.24 0.00 0.00 174.94 176.12 1aou h GLN 3 N -0.59 -0.19 -6.32 0.37 4.15 -1.94 -3.46 115.11 107.14 1aou h GLN 3 Ca -0.39 0.01 -0.20 0.00 0.77 0.00 0.00 58.65 58.85 1aou h GLN 3 Cb 1.27 0.04 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1aou h GLN 3 CO 0.44 -0.13 -1.07 0.00 -1.93 0.00 0.00 178.83 176.14 1aou n ALA 4 N -3.18 -2.31 0.00 3.38 0.00 -1.26 -4.86 120.51 112.28 1aou n ALA 4 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1aou n ALA 4 Cb 0.32 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.41 0.00 0.00 0.00 1.02 -0.62 -4.91 120.64 116.54 1aou n GLU 5 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1aou n GLU 5 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 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 -1.03 0.27 -0.08 3.49 -0.58 -1.26 -4.82 120.64 116.63 1aou n GLU 6 Ca 0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 1aou n GLU 6 Cb 0.00 -0.58 0.13 0.00 -0.57 0.00 0.00 31.44 30.42 1aou n GLU 6 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1aou n TRP 7 N -1.30 0.21 -3.66 -0.32 4.27 -1.26 -3.98 117.44 111.40 1aou n TRP 7 Ca 0.00 -0.13 -0.07 0.00 -3.89 0.00 0.00 57.50 53.42 1aou n TRP 7 Cb 0.08 -0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.96 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 -1.49 -0.99 -0.20 -2.67 6.14 -1.26 0.27 117.35 117.14 1aou s TYR 8 Ca 0.28 1.89 0.13 0.00 0.64 0.00 0.00 57.07 60.01 1aou s TYR 8 Cb 0.18 0.54 -0.21 0.00 0.42 0.00 0.00 41.96 42.89 1aou s TYR 8 CO 0.26 -0.51 -0.02 1.19 0.64 0.00 0.00 175.55 177.11 1aou n PHE 9 N 4.74 0.00 0.00 4.97 3.01 -0.82 -1.59 117.46 127.77 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 0.54 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 1.97 0.55 2.83 1.37 0.00 -1.26 -4.90 105.19 105.75 1aou n GLY 10 Ca -0.34 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 4.28 -3.66 1.61 5.02 -1.26 -2.05 118.16 122.09 1aou n LYS 11 Ca 0.00 -4.62 -0.20 0.00 -2.02 0.00 0.00 58.31 51.47 1aou n LYS 11 Cb 0.00 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 32.54 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 -3.07 3.83 0.00 -0.35 2.96 -1.26 -4.72 118.68 116.07 1aou s LEU 12 Ca 0.35 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1aou s LEU 12 Cb 0.10 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1aou s LEU 12 CO 0.03 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1aou n GLY 13 N -1.50 4.94 0.11 7.98 0.00 -1.26 -3.18 105.19 112.28 1aou n GLY 13 Ca -0.02 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.61 -0.07 1.61 1.85 -1.26 -2.63 116.66 116.77 1aou n ARG 14 Ca 0.00 0.14 -0.15 0.00 -1.00 0.00 0.00 57.85 56.85 1aou n ARG 14 Cb 0.00 -1.82 -0.06 0.00 -1.05 0.00 0.00 32.46 29.54 1aou n ARG 14 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1aou h LYS 15 N 0.00 0.72 0.04 2.89 3.64 -2.00 -2.73 116.57 119.14 1aou h LYS 15 Ca -0.04 -0.47 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 1aou h LYS 15 Cb 1.16 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1aou h LYS 15 CO 0.01 1.09 -0.52 0.22 -2.27 0.00 0.00 179.45 177.99 1aou h ASP 16 N 0.44 0.38 -0.90 4.20 1.82 -1.97 -2.75 116.42 117.64 1aou h ASP 16 Ca 0.01 -0.85 0.24 0.00 -0.39 0.00 0.00 57.03 56.03 1aou h ASP 16 Cb 1.07 -0.12 -0.16 0.00 0.68 0.00 0.00 39.33 40.80 1aou h ASP 16 CO 0.10 1.19 0.10 0.00 -1.61 0.00 0.00 179.24 179.02 1aou h ALA 17 N 0.19 1.12 -0.42 -0.78 0.00 -1.54 1.26 119.26 119.10 1aou h ALA 17 Ca -0.08 0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1aou h ALA 17 Cb 1.31 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1aou h ALA 17 CO 0.10 -0.51 -0.28 1.05 0.00 0.00 0.00 179.25 179.61 1aou h GLU 18 N 0.09 0.90 0.00 0.00 4.11 -1.51 -2.59 114.58 115.58 1aou h GLU 18 Ca 0.54 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1aou h GLU 18 Cb 1.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1aou h GLU 18 CO -0.77 1.06 0.00 -2.13 0.07 0.00 0.00 179.01 177.24 1aou n ARG 19 N -4.09 0.00 -0.39 1.06 3.00 0.40 -1.80 116.66 114.85 1aou n ARG 19 Ca -0.01 0.30 -0.02 0.00 -0.00 0.00 0.00 57.85 58.12 1aou n ARG 19 Cb 0.48 -1.20 0.02 0.00 0.00 0.00 0.00 32.46 31.76 1aou n ARG 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1aou n GLN 20 N -1.39 -0.26 0.03 -0.14 1.13 0.60 -0.74 117.38 116.61 1aou n GLN 20 Ca 0.00 1.53 -0.04 0.00 -1.94 0.00 0.00 57.00 56.54 1aou n GLN 20 Cb 0.00 -2.26 -0.03 0.00 0.11 0.00 0.00 30.24 28.06 1aou n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1aou h LEU 21 N 0.00 -0.41 -1.51 1.08 5.85 -1.53 0.13 115.31 118.93 1aou h LEU 21 Ca 0.32 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1aou h LEU 21 Cb 0.57 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1aou h LEU 21 CO -0.98 -0.14 0.53 -0.07 -0.34 0.00 0.00 178.44 177.43 1aou h LEU 22 N -0.20 0.00-10.09 2.25 3.38 -0.50 -3.40 115.31 106.76 1aou h LEU 22 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1aou h LEU 22 Cb 0.20 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.06 1aou h LEU 22 CO -0.07 0.00 0.48 -0.55 0.09 0.00 0.00 178.44 178.39 1aou s SER 23 N -4.15 5.25 -0.92 -0.43 0.15 0.43 -4.72 113.70 109.31 1aou s SER 23 Ca -0.03 2.41 -0.23 0.00 0.70 0.00 0.00 55.95 58.80 1aou s SER 23 Cb 0.08 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.55 1aou s SER 23 CO 0.24 -1.56 2.48 0.49 1.20 0.00 0.00 173.24 176.09 1aou n PHE 24 N -1.49 0.54 0.00 3.44 3.72 -1.26 -4.30 117.46 118.11 1aou n PHE 24 Ca 0.13 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 1aou n PHE 24 Cb 0.49 -1.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 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 6.16 -1.07 3.14 1.37 0.00 -1.26 -5.12 105.19 108.41 1aou n GLY 25 Ca 0.62 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 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 0.91 0.11 0.95 1.61 -0.87 -1.26 -5.17 114.94 111.22 1aou s ASN 26 Ca 0.00 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.84 1aou s ASN 26 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 1aou s ASN 26 CO 0.00 -0.52 0.00 -0.81 -2.57 0.00 0.00 177.10 173.20 1aou n PRO 27 N 0.76 -0.13 -0.98 -0.60 -0.04 -1.26 -4.87 135.00 127.89 1aou n PRO 27 Ca -0.19 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.92 1aou n PRO 27 Cb 0.58 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.04 -0.06 -0.42 0.54 1.85 -1.26 -3.28 116.66 112.98 1aou n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1aou n ARG 28 Cb 0.00 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 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 2.57 0.78 3.34 2.89 0.00 -0.28 -4.96 105.19 109.54 1aou n GLY 29 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.06 5.33 -0.36 2.61 2.01 -1.21 -2.13 115.64 119.82 1aou s THR 30 Ca 0.00 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 59.92 1aou s THR 30 Cb 0.00 -4.47 0.01 0.00 0.01 0.00 0.00 72.50 68.05 1aou s THR 30 CO 0.00 -1.04 0.23 -0.36 -0.69 0.00 0.00 174.62 172.76 1aou s PHE 31 N 1.08 3.23 0.33 4.92 0.08 -1.26 -0.72 117.98 125.64 1aou s PHE 31 Ca 0.15 -0.60 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1aou s PHE 31 Cb -0.17 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 1aou s PHE 31 CO -0.04 -0.53 0.19 -0.48 -0.10 0.00 0.00 175.22 174.27 1aou s LEU 32 N 1.64 3.40 0.42 -0.37 0.05 0.86 -2.92 118.68 121.77 1aou s LEU 32 Ca 0.04 -0.65 0.07 0.00 0.05 0.00 0.00 54.13 53.65 1aou s LEU 32 Cb -0.18 -1.93 -0.03 0.00 -2.05 0.00 0.00 46.19 42.00 1aou s LEU 32 CO 0.08 -0.30 0.32 -0.63 -0.55 0.00 0.00 176.35 175.28 1aou s ILE 33 N -2.37 2.49 0.00 1.48 1.01 0.75 0.24 121.20 124.80 1aou s ILE 33 Ca 0.38 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1aou s ILE 33 Cb -0.04 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1aou s ILE 33 CO 0.24 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 173.07 1aou n ARG 34 N -1.46 0.00 -1.63 2.79 -4.01 -0.86 -1.94 116.66 109.55 1aou n ARG 34 Ca 0.02 0.00 -0.46 0.00 -1.04 0.00 0.00 57.85 56.36 1aou n ARG 34 Cb 0.63 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 30.02 1aou n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1aou n GLU 35 N -0.27 1.61 -3.36 2.89 1.02 -0.87 -0.74 120.64 120.93 1aou n GLU 35 Ca 0.00 0.57 -0.38 0.00 -0.02 0.00 0.00 57.16 57.34 1aou n GLU 35 Cb 0.00 -2.13 -0.06 0.00 -0.02 0.00 0.00 31.44 29.22 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 0.08 6.61 -0.09 1.62 0.01 -0.49 -4.32 113.70 117.11 1aou s SER 36 Ca 0.69 0.73 0.08 0.00 1.31 0.00 0.00 55.95 58.76 1aou s SER 36 Cb -0.74 -2.26 0.41 0.00 0.21 0.00 0.00 66.02 63.64 1aou s SER 36 CO 0.52 0.00 1.18 -0.62 0.41 0.00 0.00 173.24 174.73 1aou n GLU 37 N 3.79 2.76 0.03 12.44 1.02 -1.26 -3.34 120.64 136.08 1aou n GLU 37 Ca -0.08 -1.58 -0.22 0.00 -0.02 0.00 0.00 57.16 55.26 1aou n GLU 37 Cb 0.52 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 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 2.12 0.80 -1.34 2.62 1.03 -1.96 -3.47 112.91 112.71 1aou h THR 38 Ca 0.00 -2.40 -0.46 0.00 -0.01 0.00 0.00 66.41 63.54 1aou h THR 38 Cb 1.09 2.62 0.00 0.00 -1.07 0.00 0.00 68.15 70.79 1aou h THR 38 CO 0.20 0.84 -0.28 -0.89 -0.01 0.00 0.00 175.52 175.37 1aou s THR 39 N -2.55 2.72 0.47 0.00 2.01 -1.25 -4.92 115.64 112.12 1aou s THR 39 Ca -0.20 -1.13 0.41 0.00 0.31 0.00 0.00 61.69 61.08 1aou s THR 39 Cb 0.06 -2.85 0.61 0.00 0.01 0.00 0.00 72.50 70.32 1aou s THR 39 CO 0.79 0.00 1.39 0.29 -0.69 0.00 0.00 174.62 176.40 1aou n LYS 40 N -1.80 -0.01 0.00 4.92 5.02 -1.26 -4.02 118.16 121.01 1aou n LYS 40 Ca 0.07 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1aou n LYS 40 Cb 0.60 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1aou n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aou n GLY 41 N -1.73 -1.28 0.00 0.72 0.00 -1.26 -5.04 105.19 96.60 1aou n GLY 41 Ca 0.39 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -4.05 4.61 0.00 -1.21 -4.77 120.51 115.08 1aou n ALA 42 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 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 -0.05 0.23 -3.86 0.00 4.01 -0.83 -1.39 117.16 115.27 1aou n TYR 43 Ca 0.00 -1.07 -0.08 0.00 -0.16 0.00 0.00 57.90 56.59 1aou n TYR 43 Cb 0.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.09 -0.10 -0.41 7.72 0.15 0.08 -0.21 113.70 118.84 1aou s SER 44 Ca 0.05 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.88 1aou s SER 44 Cb 0.00 0.77 0.19 0.00 -1.71 0.00 0.00 66.02 65.27 1aou s SER 44 CO 0.04 -1.47 0.40 -0.11 1.20 0.00 0.00 173.24 173.30 1aou n LEU 45 N -0.49 -0.48 -4.41 3.45 0.00 0.96 -2.03 117.00 114.01 1aou n LEU 45 Ca -0.05 -4.38 -0.31 0.00 0.00 0.00 0.00 56.01 51.26 1aou n LEU 45 Cb 0.60 0.58 0.18 0.00 0.00 0.00 0.00 43.42 44.78 1aou n LEU 45 CO 0.20 1.91 -0.02 -0.24 0.00 0.00 0.00 177.39 179.25 1aou n SER 46 N 2.49 -1.81 -3.65 1.96 2.88 0.66 -0.79 113.62 115.37 1aou n SER 46 Ca 0.27 0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 1aou n SER 46 Cb 0.50 -1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 62.72 1aou n SER 46 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1aou s ILE 47 N -2.37 0.01 -0.19 2.46 -4.36 0.48 -0.09 121.20 117.14 1aou s ILE 47 Ca 0.61 -0.08 -0.09 0.00 -0.26 0.00 0.00 60.65 60.83 1aou s ILE 47 Cb -0.19 -0.82 -0.05 0.00 1.25 0.00 0.00 42.46 42.66 1aou s ILE 47 CO 0.65 -0.05 0.09 -0.60 0.24 0.00 0.00 174.94 175.28 1aou s ARG 48 N -0.39 4.07 -0.42 0.37 3.00 0.10 -0.55 118.95 125.13 1aou s ARG 48 Ca -0.05 -0.29 0.08 0.00 -1.00 0.00 0.00 55.73 54.47 1aou s ARG 48 Cb -0.03 -3.31 0.26 0.00 0.00 0.00 0.00 34.95 31.86 1aou s ARG 48 CO 0.04 0.28 0.66 -3.47 0.00 0.00 0.00 175.30 172.80 1aou n ASP 49 N 3.55 -0.70 -4.57 -2.12 2.03 -1.02 -1.12 116.55 112.60 1aou n ASP 49 Ca -0.16 -2.92 -0.29 0.00 0.52 0.00 0.00 54.79 51.94 1aou n ASP 49 Cb 0.52 0.12 0.21 0.00 -0.72 0.00 0.00 41.12 41.25 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 -0.72 1.56 0.04 -0.67 -0.00 -1.26 -4.15 118.94 113.73 1aou s TRP 50 Ca 0.34 1.36 -0.08 0.00 -0.00 0.00 0.00 56.10 57.72 1aou s TRP 50 Cb 0.20 -3.18 -0.00 0.00 -0.00 0.00 0.00 33.47 30.49 1aou s TRP 50 CO -0.14 -3.39 0.16 0.34 -0.00 0.00 0.00 176.95 173.91 1aou s ASP 51 N -2.69 0.10 -0.19 5.86 -1.08 -0.50 -4.89 116.67 113.28 1aou s ASP 51 Ca 0.67 -0.45 -0.01 0.00 -0.52 0.00 0.00 52.55 52.24 1aou s ASP 51 Cb -0.23 0.27 0.09 0.00 -1.46 0.00 0.00 42.92 41.59 1aou s ASP 51 CO 0.62 -0.55 2.16 -0.90 0.52 0.00 0.00 175.17 177.01 1aou n ASP 52 N 0.67 5.97 -0.57 -0.34 5.75 -1.26 -3.22 116.55 123.55 1aou n ASP 52 Ca -0.19 -2.79 -0.01 0.00 -0.01 0.00 0.00 54.79 51.79 1aou n ASP 52 Cb 0.59 -1.12 -0.01 0.00 -1.03 0.00 0.00 41.12 39.55 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 0.95 0.00 0.00 0.11 0.00 -1.26 -4.98 117.12 111.94 1aou n MET 53 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1aou n MET 53 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 33.22 33.90 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 -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1aou n LYS 54 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 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 -0.20 0.44 3.87 2.58 0.00 -1.20 -5.01 105.19 105.67 1aou n GLY 55 Ca 0.00 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 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 4.09 0.28 1.61 1.47 -1.26 -1.41 116.67 117.45 1aou s ASP 56 Ca 0.00 0.78 -0.19 0.00 1.18 0.00 0.00 52.55 54.32 1aou s ASP 56 Cb 0.00 -1.26 0.07 0.00 -0.34 0.00 0.00 42.92 41.39 1aou s ASP 56 CO 0.00 -2.17 0.91 -1.00 0.68 0.00 0.00 175.17 173.60 1aou s HIS 57 N -3.52 0.09 -0.29 2.11 3.76 -1.26 -4.83 115.29 111.35 1aou s HIS 57 Ca 0.64 -0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 1aou s HIS 57 Cb -0.11 0.77 0.13 0.00 1.11 0.00 0.00 32.58 34.47 1aou s HIS 57 CO 0.50 -1.24 0.62 0.08 -0.85 0.00 0.00 174.74 173.85 1aou s VAL 58 N -2.28 -0.95 0.04 -0.90 1.01 -1.26 -2.43 120.40 113.63 1aou s VAL 58 Ca 0.18 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1aou s VAL 58 Cb -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1aou s VAL 58 CO 0.08 0.01 0.06 1.17 0.00 0.00 0.00 175.10 176.42 1aou n LYS 59 N 5.44 0.93 -3.53 2.72 0.00 0.28 -4.83 118.16 119.18 1aou n LYS 59 Ca -0.11 -0.21 -0.18 0.00 0.00 0.00 0.00 58.31 57.81 1aou n LYS 59 Cb 0.49 -0.02 -0.06 0.00 0.00 0.00 0.00 35.03 35.44 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 0.68 -0.65 -0.46 5.64 3.76 -1.26 -0.39 115.29 122.60 1aou s HIS 60 Ca 0.04 1.14 0.01 0.00 -0.15 0.00 0.00 55.06 56.10 1aou s HIS 60 Cb -0.00 0.41 0.12 0.00 1.11 0.00 0.00 32.58 34.22 1aou s HIS 60 CO 0.03 -0.59 0.22 0.71 -0.85 0.00 0.00 174.74 174.26 1aou s TYR 61 N -1.14 3.49 -0.29 1.40 1.51 0.03 -4.81 117.35 117.54 1aou s TYR 61 Ca -0.10 -2.88 -0.30 0.00 -1.01 0.00 0.00 57.07 52.77 1aou s TYR 61 Cb -0.00 -3.01 -0.08 0.00 -0.11 0.00 0.00 41.96 38.76 1aou s TYR 61 CO 0.09 -0.87 2.24 1.17 -1.11 0.00 0.00 175.55 177.07 1aou n LYS 62 N 3.83 1.56 -2.78 -0.62 0.00 -1.26 -0.03 118.16 118.86 1aou n LYS 62 Ca 0.04 0.40 -0.35 0.00 0.00 0.00 0.00 58.31 58.40 1aou n LYS 62 Cb 0.38 -2.97 -0.06 0.00 0.00 0.00 0.00 35.03 32.38 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 8.31 4.25 -0.09 3.15 1.09 0.71 -4.81 121.20 133.81 1aou s ILE 63 Ca 1.04 1.63 0.02 0.00 -1.10 0.00 0.00 60.65 62.24 1aou s ILE 63 Cb -0.51 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.11 1aou s ILE 63 CO 0.39 -0.08 -0.13 -0.13 -0.10 0.00 0.00 174.94 174.89 1aou s ARG 64 N -2.61 1.92 -0.24 2.79 1.81 -0.98 -1.96 118.95 119.68 1aou s ARG 64 Ca 0.56 -0.47 -0.07 0.00 -1.72 0.00 0.00 55.73 54.04 1aou s ARG 64 Cb -0.14 -1.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1aou s ARG 64 CO 0.19 -0.04 0.07 0.21 -0.68 0.00 0.00 175.30 175.05 1aou s LYS 65 N 0.90 3.70 0.35 3.54 2.20 -1.26 -1.93 119.74 127.23 1aou s LYS 65 Ca -0.09 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 54.78 1aou s LYS 65 Cb -0.15 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 1aou s LYS 65 CO 0.01 -0.12 1.25 -0.51 -0.36 0.00 0.00 175.35 175.62 1aou s LEU 66 N 1.42 4.37 0.43 5.43 2.01 -0.71 -4.87 118.68 126.76 1aou s LEU 66 Ca 0.05 2.57 0.29 0.00 0.01 0.00 0.00 54.13 57.05 1aou s LEU 66 Cb -0.15 -3.75 1.12 0.00 0.01 0.00 0.00 46.19 43.42 1aou s LEU 66 CO 0.04 -0.55 1.85 0.44 1.01 0.00 0.00 176.35 179.13 1aou h ASP 67 N 3.20 0.00 1.23 2.29 5.19 -1.97 -0.93 116.42 125.43 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 0.65 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.36 1aou n ASN 68 N -2.77 0.44 0.00 6.45 5.03 -1.26 -4.93 115.26 118.23 1aou n ASN 68 Ca 0.02 0.54 0.00 0.00 0.87 0.00 0.00 54.58 56.01 1aou n ASN 68 Cb 0.31 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 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 1.34 0.51 2.99 7.41 0.00 -0.35 -5.13 105.19 111.95 1aou n GLY 69 Ca 0.06 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.39 -0.15 -0.02 0.00 -1.20 -4.79 107.32 99.78 1aou s GLY 70 Ca 0.00 0.85 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 1aou s GLY 70 CO 0.00 4.00 1.27 -0.19 0.00 0.00 0.00 173.10 178.18 1aou s TYR 71 N 1.99 2.86 -0.20 1.90 2.02 -0.21 -1.73 117.35 123.97 1aou s TYR 71 Ca 0.16 1.00 -0.09 0.00 -0.37 0.00 0.00 57.07 57.76 1aou s TYR 71 Cb -0.01 -3.51 0.08 0.00 -0.40 0.00 0.00 41.96 38.12 1aou s TYR 71 CO -0.12 -1.75 0.46 1.52 -1.57 0.00 0.00 175.55 174.09 1aou s TYR 72 N 3.34 -0.77 -0.21 2.71 1.13 -0.81 0.41 117.35 123.15 1aou s TYR 72 Ca 0.56 1.54 0.18 0.00 -1.41 0.00 0.00 57.07 57.93 1aou s TYR 72 Cb -0.23 0.36 0.05 0.00 -1.10 0.00 0.00 41.96 41.05 1aou s TYR 72 CO 0.16 -0.43 1.26 0.82 -2.51 0.00 0.00 175.55 174.85 1aou h ILE 73 N 5.71 0.48 -3.94 -3.49 2.04 -1.82 -2.59 117.51 113.90 1aou h ILE 73 Ca -0.28 -1.75 -0.31 0.00 1.00 0.00 0.00 64.86 63.52 1aou h ILE 73 Cb 1.16 2.10 -0.26 0.00 -0.74 0.00 0.00 36.82 39.09 1aou h ILE 73 CO 0.21 0.27 -0.75 0.28 0.00 0.00 0.00 178.15 178.16 1aou s THR 74 N -3.06 0.49 -1.41 -0.27 -1.32 -1.26 -4.77 115.64 104.04 1aou s THR 74 Ca 0.02 -0.56 0.05 0.00 -1.21 0.00 0.00 61.69 60.00 1aou s THR 74 Cb 0.08 -0.47 0.09 0.00 -1.51 0.00 0.00 72.50 70.69 1aou s THR 74 CO 0.75 -0.06 1.02 0.35 -2.21 0.00 0.00 174.62 174.47 1aou n THR 75 N 2.39 0.97 1.26 5.08 -2.24 -1.26 -1.63 114.28 118.84 1aou n THR 75 Ca -0.17 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 1aou n THR 75 Cb 0.57 -1.15 0.67 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.29 0.30 -3.50 -0.78 0.63 -1.26 -4.74 116.66 106.01 1aou n ARG 76 Ca 0.02 -0.03 0.01 0.00 -0.92 0.00 0.00 57.85 56.93 1aou n ARG 76 Cb 0.04 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.42 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 -2.72 -2.20 0.41 5.13 0.00 -0.65 -5.16 121.76 116.56 1aou s ALA 77 Ca 0.23 2.18 0.07 0.00 0.00 0.00 0.00 51.96 54.44 1aou s ALA 77 Cb 0.20 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 1aou s ALA 77 CO 0.50 -1.04 0.03 -0.65 0.00 0.00 0.00 175.76 174.60 1aou s GLN 78 N 2.85 1.99 0.00 0.00 1.11 -1.26 -4.22 119.66 120.13 1aou s GLN 78 Ca 0.01 -2.08 0.00 0.00 0.01 0.00 0.00 55.36 53.30 1aou s GLN 78 Cb -0.12 -1.68 0.00 0.00 -1.01 0.00 0.00 33.01 30.20 1aou s GLN 78 CO -0.19 -0.05 0.00 1.19 0.01 0.00 0.00 175.29 176.24 1aou n PHE 79 N -1.00 -0.16 -0.08 0.91 3.01 0.17 -4.78 117.46 115.53 1aou n PHE 79 Ca -0.05 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.31 1aou n PHE 79 Cb 0.67 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.05 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 0.91 -4.50 -1.08 0.28 -1.26 -1.04 120.64 113.95 1aou n GLU 80 Ca 0.00 0.06 -0.24 0.00 -0.16 0.00 0.00 57.16 56.82 1aou n GLU 80 Cb 0.00 -1.34 -0.09 0.00 1.43 0.00 0.00 31.44 31.44 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 -2.34 0.80 0.08 3.84 -1.32 -1.26 -4.65 115.64 110.80 1aou s THR 81 Ca -0.17 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.39 1aou s THR 81 Cb 0.05 -2.49 -0.22 0.00 -1.51 0.00 0.00 72.50 68.34 1aou s THR 81 CO 0.45 0.00 1.13 -0.07 -2.21 0.00 0.00 174.62 173.92 1aou h LEU 82 N 1.90 0.01 -0.52 9.08 3.38 -1.97 -2.48 115.31 124.70 1aou h LEU 82 Ca -0.37 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 1aou h LEU 82 Cb 1.27 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1aou h LEU 82 CO 0.62 1.01 -0.62 -0.61 0.09 0.00 0.00 178.44 178.92 1aou h GLN 83 N 0.00 0.00 0.00 1.13 4.15 -1.96 -1.15 115.11 117.28 1aou h GLN 83 Ca -0.08 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.15 1aou h GLN 83 Cb 1.83 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.49 1aou h GLN 83 CO 0.12 0.62 -0.94 1.96 -1.93 0.00 0.00 178.83 178.67 1aou h GLN 84 N 0.00 0.00 0.10 1.69 4.20 -1.95 -1.58 115.11 117.57 1aou h GLN 84 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 1aou h GLN 84 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1aou h GLN 84 CO 0.08 0.94 -1.17 1.37 -0.67 0.00 0.00 178.83 179.37 1aou h LEU 85 N 0.00 0.36 -1.36 1.46 8.10 -1.33 -0.78 115.31 121.76 1aou h LEU 85 Ca -0.01 -0.38 -0.03 0.00 0.11 0.00 0.00 57.88 57.58 1aou h LEU 85 Cb 1.67 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 41.77 1aou h LEU 85 CO 0.12 1.28 -0.13 -0.37 -4.11 0.00 0.00 178.44 175.23 1aou h VAL 86 N 0.07 0.35 -0.09 0.15 -1.51 -1.21 0.36 116.25 114.37 1aou h VAL 86 Ca -0.11 -0.82 -0.14 0.00 -1.23 0.00 0.00 66.70 64.40 1aou h VAL 86 Cb 1.90 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 32.68 1aou h VAL 86 CO 0.19 0.13 -0.49 -0.61 -1.23 0.00 0.00 177.57 175.55 1aou h GLN 87 N 0.00 0.50 -0.14 5.19 4.15 -0.85 -0.32 115.11 123.63 1aou h GLN 87 Ca -0.00 -0.41 -0.22 0.00 0.77 0.00 0.00 58.65 58.78 1aou h GLN 87 Cb 0.60 0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.39 1aou h GLN 87 CO 0.02 1.04 -0.79 1.25 -1.93 0.00 0.00 178.83 178.43 1aou h HIS 88 N 0.08 1.06 0.00 3.99 2.76 -0.78 -2.71 115.15 119.56 1aou h HIS 88 Ca -0.04 -0.48 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1aou h HIS 88 Cb 1.14 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1aou h HIS 88 CO 0.12 1.31 0.00 1.88 -1.30 0.00 0.00 177.93 179.94 1aou h TYR 89 N 0.51 0.00 -0.60 5.26 -1.99 -0.99 -1.51 116.97 117.65 1aou h TYR 89 Ca -0.06 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 1aou h TYR 89 Cb 1.42 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.12 1aou h TYR 89 CO 0.09 0.00 0.13 1.03 -0.00 0.00 0.00 178.16 179.41 1aou h SER 90 N 0.00 0.90 0.15 3.88 0.87 -0.70 -2.62 113.55 116.03 1aou h SER 90 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1aou h SER 90 Cb 0.48 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1aou h SER 90 CO 0.00 0.88 -0.99 -0.62 -0.53 0.00 0.00 176.83 175.57 1aou n GLU 91 N -4.25 0.09 -4.07 2.24 1.02 -1.04 -4.87 120.64 109.76 1aou n GLU 91 Ca 0.04 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 1aou n GLU 91 Cb 0.25 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.07 0.40 0.28 3.49 0.52 -0.60 -5.01 118.95 114.97 1aou s ARG 92 Ca 0.07 -0.44 0.15 0.00 -0.52 0.00 0.00 55.73 54.99 1aou s ARG 92 Cb 0.16 -0.25 0.14 0.00 0.52 0.00 0.00 34.95 35.52 1aou s ARG 92 CO 0.83 0.06 1.48 0.00 0.02 0.00 0.00 175.30 177.68 1aou h ALA 93 N 5.27 0.70 0.00 2.13 0.00 -1.87 -3.35 119.26 122.13 1aou h ALA 93 Ca -0.31 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1aou h ALA 93 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1aou h ALA 93 CO 0.45 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.35 1aou n ALA 94 N -2.24 0.00 0.00 0.00 0.00 -1.26 -3.14 120.51 113.87 1aou n ALA 94 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1aou n ALA 94 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 0.90 0.00 0.00 0.00 -1.26 -5.00 105.19 97.83 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 -0.32 0.99 -0.00 -1.19 -4.93 117.00 111.55 1aou n LEU 96 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 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 -0.10 0.61 -1.28 -0.00 0.00 0.00 177.39 176.62 1aou h SER 97 N 0.00 -1.28 0.00 1.45 0.87 -1.99 -3.45 113.55 109.14 1aou h SER 97 Ca 0.00 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1aou h SER 97 Cb 0.00 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1aou h SER 97 CO 0.00 -0.29 0.00 -0.24 -0.53 0.00 0.00 176.83 175.77 1aou n SER 98 N -5.47 0.00 -2.60 6.23 2.88 -1.26 -5.05 113.62 108.34 1aou n SER 98 Ca 0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 1aou n SER 98 Cb 0.39 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 1aou n SER 98 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1aou n ARG 99 N -0.29 0.00 0.00 -1.46 1.85 -1.26 -4.59 116.66 110.91 1aou n ARG 99 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1aou n ARG 99 Cb 0.00 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 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 3.11 0.00 -4.53 2.89 -0.00 -1.25 -4.37 117.00 112.85 1aou n LEU 100 Ca 0.28 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.90 1aou n LEU 100 Cb 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.60 1aou n LEU 100 CO 0.55 0.00 0.28 1.33 -0.00 0.00 0.00 177.39 179.55 1aou n VAL 101 N 0.00 2.58 0.03 1.47 0.24 -1.15 -4.46 118.33 117.04 1aou n VAL 101 Ca 0.00 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.60 1aou n VAL 101 Cb 0.00 -0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 31.37 1aou n VAL 101 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1aou h VAL 102 N 0.61 1.43 0.11 3.34 2.07 -1.63 -3.37 116.25 118.81 1aou h VAL 102 Ca -0.45 -2.48 -0.20 0.00 0.82 0.00 0.00 66.70 64.39 1aou h VAL 102 Cb 1.38 3.10 0.02 0.00 -1.52 0.00 0.00 31.29 34.27 1aou h VAL 102 CO 0.50 0.69 -0.84 1.55 0.02 0.00 0.00 177.57 179.50 1aou h PRO 103 N -0.44 0.37 -6.57 1.57 0.13 -1.91 -3.48 132.00 121.68 1aou h PRO 103 Ca -0.17 -0.55 -0.51 0.00 -0.87 0.00 0.00 66.00 63.90 1aou h PRO 103 Cb 1.60 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.92 1aou h PRO 103 CO 0.11 1.23 -0.95 -1.13 -0.23 0.00 0.00 178.00 177.03 1aou n SER 104 N -4.10 -3.37 -4.43 1.44 3.41 -1.26 -4.72 113.62 100.59 1aou n SER 104 Ca -0.13 -1.12 -0.51 0.00 -0.26 0.00 0.00 58.87 56.85 1aou n SER 104 Cb 0.81 -2.66 -0.04 0.00 -0.26 0.00 0.00 64.21 62.06 1aou n SER 104 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aou n HIS 105 N -4.52 -0.15 0.00 7.33 8.25 -1.26 -4.99 115.22 119.87 1aou n HIS 105 Ca -0.16 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1aou n HIS 105 Cb 0.61 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.72 1aou n HIS 105 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15