#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 -1.33 -5.35 -1.26 -4.72 119.36 106.70 1aou n ILE 2 Ca 0.00 0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.84 1aou n ILE 2 Cb 0.00 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 36.95 1aou n ILE 2 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1aou n GLN 3 N 0.00 0.00 0.00 6.28 -0.06 -1.26 -5.01 117.38 117.33 1aou n GLN 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1aou n GLN 3 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1aou n GLN 3 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aou n ALA 4 N -3.00 0.00 0.00 1.69 0.00 -1.26 -5.03 120.51 112.91 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 -2.05 0.00 -0.12 0.00 0.00 -1.23 -4.91 120.64 112.33 1aou n GLU 5 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 1aou n GLU 5 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1aou n GLU 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1aou n GLU 6 N 0.00 0.51 -0.02 3.44 -0.58 -1.26 -4.67 120.64 118.06 1aou n GLU 6 Ca 0.00 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 56.97 1aou n GLU 6 Cb 0.00 -1.35 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -4.12 0.06 -3.72 -0.32 4.27 -1.26 -4.43 117.44 107.92 1aou n TRP 7 Ca -0.43 -0.29 -0.12 0.00 -3.89 0.00 0.00 57.50 52.77 1aou n TRP 7 Cb 0.79 -0.03 -0.12 0.00 -1.36 0.00 0.00 31.31 30.59 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 -0.67 -0.41 -0.22 -2.67 5.04 -1.26 0.29 117.35 117.46 1aou s TYR 8 Ca 0.04 0.94 0.04 0.00 -2.44 0.00 0.00 57.07 55.65 1aou s TYR 8 Cb 0.02 0.11 -0.16 0.00 0.35 0.00 0.00 41.96 42.29 1aou s TYR 8 CO 0.03 -0.27 -0.16 1.19 -1.34 0.00 0.00 175.55 175.00 1aou n PHE 9 N 4.30 0.00 0.00 4.97 3.01 -0.89 -3.50 117.46 125.34 1aou n PHE 9 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1aou n PHE 9 Cb 0.53 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 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 2.37 0.37 2.85 1.37 0.00 -1.26 -4.93 105.19 105.96 1aou n GLY 10 Ca -0.38 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 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 3.69 -3.73 1.61 5.02 -1.26 -1.90 118.16 121.59 1aou n LYS 11 Ca 0.00 -4.58 -0.21 0.00 -2.02 0.00 0.00 58.31 51.50 1aou n LYS 11 Cb 0.00 -2.43 -0.04 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 -2.51 3.51 0.00 -0.35 2.96 -1.26 -4.72 118.68 116.30 1aou s LEU 12 Ca 0.33 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1aou s LEU 12 Cb 0.06 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1aou s LEU 12 CO 0.04 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 1aou n GLY 13 N -1.43 4.11 0.09 7.98 0.00 -1.26 -3.31 105.19 111.36 1aou n GLY 13 Ca 0.00 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 44.04 1aou n GLY 13 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aou h ARG 14 N 0.00 0.00 -0.07 1.61 -0.00 -1.98 -2.59 114.38 111.35 1aou h ARG 14 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.30 1aou h ARG 14 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 29.97 29.98 1aou h ARG 14 CO 0.00 0.00 -0.66 -0.22 0.00 0.00 0.00 179.97 179.09 1aou h LYS 15 N 0.00 0.57 0.12 0.04 3.64 -1.99 -2.83 116.57 116.11 1aou h LYS 15 Ca 0.00 -0.52 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 1aou h LYS 15 Cb 0.81 0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1aou h LYS 15 CO 0.00 1.14 -0.78 0.22 -2.27 0.00 0.00 179.45 177.76 1aou h ASP 16 N 0.18 0.40 -0.81 4.20 1.82 -1.97 -2.60 116.42 117.64 1aou h ASP 16 Ca -0.06 -0.94 0.18 0.00 -0.39 0.00 0.00 57.03 55.81 1aou h ASP 16 Cb 1.32 -0.13 -0.15 0.00 0.68 0.00 0.00 39.33 41.05 1aou h ASP 16 CO 0.13 1.37 -0.08 0.00 -1.61 0.00 0.00 179.24 179.05 1aou h ALA 17 N 0.05 0.72 -0.18 -0.78 0.00 -1.55 1.24 119.26 118.76 1aou h ALA 17 Ca -0.14 0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1aou h ALA 17 Cb 1.57 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1aou h ALA 17 CO 0.12 -0.43 -0.44 1.05 0.00 0.00 0.00 179.25 179.54 1aou h GLU 18 N 0.04 0.45 0.00 0.00 -0.00 -1.58 -2.44 114.58 111.05 1aou h GLU 18 Ca 0.43 -0.24 0.00 0.00 -0.00 0.00 0.00 59.36 59.55 1aou h GLU 18 Cb 0.73 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.49 1aou h GLU 18 CO -0.77 0.81 0.00 -2.13 -0.00 0.00 0.00 179.01 176.92 1aou n ARG 19 N -4.00 0.00 -0.33 1.06 0.00 0.39 -1.71 116.66 112.07 1aou n ARG 19 Ca -0.02 0.12 0.26 0.00 -0.00 0.00 0.00 57.85 58.21 1aou n ARG 19 Cb 0.53 -0.95 0.48 0.00 0.00 0.00 0.00 32.46 32.52 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 -0.87 -0.07 0.21 -0.14 1.13 0.12 0.13 117.38 117.89 1aou n GLN 20 Ca 0.00 1.41 -0.15 0.00 -1.94 0.00 0.00 57.00 56.32 1aou n GLN 20 Cb 0.00 -2.42 -0.07 0.00 0.11 0.00 0.00 30.24 27.86 1aou n GLN 20 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1aou h LEU 21 N 0.00 -0.56 -1.07 1.08 4.07 -1.48 0.56 115.31 117.92 1aou h LEU 21 Ca 0.76 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.75 1aou h LEU 21 Cb 1.87 0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.78 1aou h LEU 21 CO -0.82 -0.35 0.00 0.18 -1.08 0.00 0.00 178.44 176.37 1aou n LEU 22 N -5.35 1.54 -0.75 1.67 4.77 0.15 -3.59 117.00 115.44 1aou n LEU 22 Ca -0.10 -0.77 0.03 0.00 -0.03 0.00 0.00 56.01 55.14 1aou n LEU 22 Cb 0.26 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1aou n LEU 22 CO 0.33 0.35 0.24 -1.20 -1.33 0.00 0.00 177.39 175.78 1aou n SER 23 N 0.26 0.65 -0.02 -1.43 7.64 0.34 -4.80 113.62 116.27 1aou n SER 23 Ca 0.09 -2.24 -0.02 0.00 1.01 0.00 0.00 58.87 57.72 1aou n SER 23 Cb 0.26 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 1aou n SER 23 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1aou n PHE 24 N -0.08 0.00 0.00 1.43 7.35 0.19 -4.79 117.46 121.56 1aou n PHE 24 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1aou n PHE 24 Cb 0.82 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.45 1aou n PHE 24 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aou n GLY 25 N 2.65 1.00 3.84 7.13 0.00 -1.26 -5.08 105.19 113.47 1aou n GLY 25 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.09 6.85 0.80 1.61 0.01 -1.26 -5.07 114.94 115.79 1aou s ASN 26 Ca 0.00 1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 53.19 1aou s ASN 26 Cb 0.00 -2.32 0.07 0.00 0.41 0.00 0.00 41.25 39.41 1aou s ASN 26 CO 0.00 0.03 1.14 -2.16 -1.51 0.00 0.00 177.10 174.60 1aou s PRO 27 N -2.19 2.06 0.99 -0.60 0.04 -1.26 -4.93 135.00 129.11 1aou s PRO 27 Ca 0.42 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.63 1aou s PRO 27 Cb -0.14 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1aou s PRO 27 CO 0.20 -1.56 0.13 2.89 0.04 0.00 0.00 177.00 178.69 1aou n ARG 28 N -3.33 -1.88 -0.98 4.56 1.85 -1.26 -3.40 116.66 112.22 1aou n ARG 28 Ca 0.07 -0.55 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1aou n ARG 28 Cb 0.59 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 2.49 0.58 3.50 2.89 0.00 -0.06 -4.87 105.19 109.72 1aou n GLY 29 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.45 4.62 -1.06 2.61 2.01 -1.22 -2.26 115.64 117.89 1aou s THR 30 Ca 0.00 -2.03 -0.22 0.00 0.31 0.00 0.00 61.69 59.75 1aou s THR 30 Cb 0.00 -4.97 0.05 0.00 0.01 0.00 0.00 72.50 67.59 1aou s THR 30 CO 0.00 -1.74 1.50 -0.36 -0.69 0.00 0.00 174.62 173.34 1aou s PHE 31 N 2.85 2.55 0.68 4.92 0.40 -1.26 -1.41 117.98 126.71 1aou s PHE 31 Ca 0.44 -0.92 -0.11 0.00 -0.60 0.00 0.00 56.93 55.74 1aou s PHE 31 Cb -0.01 -4.69 -0.00 0.00 0.51 0.00 0.00 43.02 38.82 1aou s PHE 31 CO -0.01 -1.91 1.05 -1.17 0.70 0.00 0.00 175.22 173.88 1aou s LEU 32 N 4.99 3.10 0.34 -0.37 0.20 0.52 -3.42 118.68 124.05 1aou s LEU 32 Ca 0.48 1.48 0.05 0.00 0.69 0.00 0.00 54.13 56.83 1aou s LEU 32 Cb 0.00 -4.39 -0.07 0.00 -0.43 0.00 0.00 46.19 41.30 1aou s LEU 32 CO -0.07 -1.27 0.02 -0.63 -0.29 0.00 0.00 176.35 174.11 1aou s ILE 33 N -3.13 1.56 0.00 6.68 1.01 0.85 0.28 121.20 128.45 1aou s ILE 33 Ca 0.57 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1aou s ILE 33 Cb -0.13 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1aou s ILE 33 CO 0.54 -0.06 0.00 -2.11 0.00 0.00 0.00 174.94 173.31 1aou n ARG 34 N -0.76 0.00 -2.12 2.79 1.85 -0.53 -2.10 116.66 115.79 1aou n ARG 34 Ca -0.04 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.39 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 -1.21 -0.01 0.00 0.00 177.63 176.41 1aou s GLU 35 N -2.00 4.30 0.00 2.89 2.02 -0.80 0.15 118.70 125.27 1aou s GLU 35 Ca 0.00 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.83 1aou s GLU 35 Cb 0.00 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1aou s GLU 35 CO 0.00 -0.45 1.17 -1.12 0.02 0.00 0.00 175.26 174.88 1aou s SER 36 N 0.97 7.11 -0.07 -0.19 0.01 0.00 -4.30 113.70 117.23 1aou s SER 36 Ca 0.64 1.88 0.09 0.00 1.31 0.00 0.00 55.95 59.87 1aou s SER 36 Cb -0.38 -2.57 0.37 0.00 0.21 0.00 0.00 66.02 63.64 1aou s SER 36 CO 0.32 -0.49 1.18 -0.62 0.41 0.00 0.00 173.24 174.04 1aou n GLU 37 N 4.48 2.45 0.08 12.44 -0.58 -1.26 -3.14 120.64 135.11 1aou n GLU 37 Ca 0.09 -1.43 -0.23 0.00 -0.42 0.00 0.00 57.16 55.17 1aou n GLU 37 Cb 0.47 -1.62 -0.15 0.00 -0.57 0.00 0.00 31.44 29.57 1aou n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aou h THR 38 N 2.02 1.10 -4.42 2.62 1.03 -1.97 -3.48 112.91 109.81 1aou h THR 38 Ca 0.00 -2.55 -0.13 0.00 -0.01 0.00 0.00 66.41 63.71 1aou h THR 38 Cb 0.91 2.88 -0.01 0.00 -1.07 0.00 0.00 68.15 70.85 1aou h THR 38 CO 0.14 0.81 -0.06 1.07 -0.01 0.00 0.00 175.52 177.47 1aou n THR 39 N -3.72 0.00 -0.38 0.00 5.66 -1.25 -4.95 114.28 109.63 1aou n THR 39 Ca -0.22 -0.50 0.30 0.00 -3.05 0.00 0.00 64.05 60.58 1aou n THR 39 Cb 1.04 -0.39 0.56 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 -1.92 -3.39 116.57 114.12 1aou h LYS 40 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1aou h LYS 40 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1aou h LYS 40 CO 0.13 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 1aou n GLY 41 N -1.41 -1.74 0.00 3.86 0.00 -1.26 -5.03 105.19 99.61 1aou n GLY 41 Ca 0.33 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 -4.14 4.61 0.00 -1.19 -4.77 120.51 115.02 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 -0.12 0.21 -3.60 0.00 4.01 -0.43 -0.82 117.16 116.41 1aou n TYR 43 Ca 0.00 -0.53 -0.09 0.00 -0.16 0.00 0.00 57.90 57.12 1aou n TYR 43 Cb 0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.59 -0.39 -0.41 7.72 0.01 0.40 -1.00 113.70 118.45 1aou s SER 44 Ca 0.00 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.09 1aou s SER 44 Cb -0.00 0.57 0.18 0.00 0.21 0.00 0.00 66.02 66.98 1aou s SER 44 CO 0.00 -0.98 0.37 -0.11 0.41 0.00 0.00 173.24 172.93 1aou n LEU 45 N -0.39 -0.43 -4.70 2.44 7.94 -0.39 -1.46 117.00 120.02 1aou n LEU 45 Ca -0.10 -4.40 -0.31 0.00 -1.11 0.00 0.00 56.01 50.09 1aou n LEU 45 Cb 0.62 0.57 0.15 0.00 0.53 0.00 0.00 43.42 45.28 1aou n LEU 45 CO 0.13 1.89 0.68 -0.44 -1.11 0.00 0.00 177.39 178.54 1aou s SER 46 N -0.11 3.35 -0.11 1.96 0.01 0.80 -1.70 113.70 117.90 1aou s SER 46 Ca 0.33 2.05 -0.06 0.00 1.31 0.00 0.00 55.95 59.58 1aou s SER 46 Cb 0.06 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.80 1aou s SER 46 CO -0.19 -2.81 0.26 0.27 0.41 0.00 0.00 173.24 171.19 1aou s ILE 47 N -2.73 -0.05 -0.13 1.44 -4.36 -0.45 0.19 121.20 115.12 1aou s ILE 47 Ca 0.65 0.15 -0.26 0.00 -0.26 0.00 0.00 60.65 60.93 1aou s ILE 47 Cb -0.21 -0.40 -0.02 0.00 1.25 0.00 0.00 42.46 43.08 1aou s ILE 47 CO 0.58 0.06 0.85 -0.60 0.24 0.00 0.00 174.94 176.07 1aou s ARG 48 N 1.29 4.36 -0.39 0.37 3.00 -0.50 -1.18 118.95 125.90 1aou s ARG 48 Ca -0.09 1.09 0.12 0.00 -1.00 0.00 0.00 55.73 55.85 1aou s ARG 48 Cb -0.10 -3.54 0.40 0.00 0.00 0.00 0.00 34.95 31.71 1aou s ARG 48 CO -0.09 -0.25 0.91 -3.47 0.00 0.00 0.00 175.30 172.40 1aou n ASP 49 N 4.88 2.19 -4.46 -2.12 2.03 -1.02 -0.88 116.55 117.16 1aou n ASP 49 Ca 0.04 -3.10 -0.29 0.00 0.52 0.00 0.00 54.79 51.96 1aou n ASP 49 Cb 0.49 -0.55 0.23 0.00 -0.72 0.00 0.00 41.12 40.57 1aou n ASP 49 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1aou n TRP 50 N -0.04 -1.07 -3.77 -0.67 -0.00 -1.26 -4.36 117.44 106.26 1aou n TRP 50 Ca 0.22 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.50 57.57 1aou n TRP 50 Cb 0.68 -1.71 -0.07 0.00 -0.00 0.00 0.00 31.31 30.21 1aou n TRP 50 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1aou s ASP 51 N -2.33 -0.06 -0.10 5.87 2.15 -0.49 -4.89 116.67 116.82 1aou s ASP 51 Ca 0.66 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1aou s ASP 51 Cb -0.23 0.36 0.12 0.00 -0.30 0.00 0.00 42.92 42.86 1aou s ASP 51 CO 0.65 -0.66 1.41 -0.90 -0.17 0.00 0.00 175.17 175.51 1aou n ASP 52 N 0.38 3.90 -2.52 -0.34 5.75 -1.26 -3.31 116.55 119.15 1aou n ASP 52 Ca -0.18 -2.42 -0.02 0.00 -0.01 0.00 0.00 54.79 52.17 1aou n ASP 52 Cb 0.60 -0.72 0.11 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.42 1.21 0.00 0.11 0.00 -1.26 -4.96 117.12 112.64 1aou n MET 53 Ca 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 57.70 56.72 1aou n MET 53 Cb 0.67 0.39 0.00 0.00 0.00 0.00 0.00 33.22 34.29 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 -1.38 0.00 0.00 3.17 2.85 -1.25 -5.15 118.16 116.40 1aou n LYS 54 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1aou n LYS 54 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 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 0.00 0.04 3.94 2.58 0.00 -1.21 -5.00 105.19 105.54 1aou n GLY 55 Ca 0.00 -2.27 -0.25 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 5.55 0.32 1.61 1.47 -1.26 -1.40 116.67 118.96 1aou s ASP 56 Ca 0.00 0.45 -0.15 0.00 1.18 0.00 0.00 52.55 54.03 1aou s ASP 56 Cb 0.00 -1.48 0.06 0.00 -0.34 0.00 0.00 42.92 41.16 1aou s ASP 56 CO 0.00 -1.01 0.80 1.41 0.68 0.00 0.00 175.17 177.05 1aou n HIS 57 N -2.42 -2.03 -3.60 2.11 8.25 -1.26 -4.85 115.22 111.43 1aou n HIS 57 Ca 0.04 -1.59 -0.00 0.00 -0.26 0.00 0.00 57.72 55.91 1aou n HIS 57 Cb 0.58 0.79 -0.04 0.00 1.12 0.00 0.00 29.99 32.45 1aou n HIS 57 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aou s VAL 58 N -2.14 -1.00 0.06 1.59 1.01 -1.26 -2.45 120.40 116.21 1aou s VAL 58 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1aou s VAL 58 Cb -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1aou s VAL 58 CO 0.10 0.00 0.09 0.29 0.00 0.00 0.00 175.10 175.57 1aou n LYS 59 N 5.45 0.85 -3.57 2.72 5.02 -0.33 -4.85 118.16 123.46 1aou n LYS 59 Ca -0.11 -0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 55.71 1aou n LYS 59 Cb 0.49 -0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.45 -0.57 -0.43 2.13 3.76 -1.26 -1.34 115.29 118.03 1aou s HIS 60 Ca 0.06 0.97 0.03 0.00 -0.15 0.00 0.00 55.06 55.98 1aou s HIS 60 Cb -0.00 0.35 0.12 0.00 1.11 0.00 0.00 32.58 34.16 1aou s HIS 60 CO 0.04 -0.57 0.18 0.71 -0.85 0.00 0.00 174.74 174.25 1aou s TYR 61 N -1.21 2.94 -0.29 1.40 2.02 -0.69 -4.92 117.35 116.61 1aou s TYR 61 Ca -0.11 -2.81 -0.40 0.00 -0.37 0.00 0.00 57.07 53.38 1aou s TYR 61 Cb -0.01 -2.53 -0.15 0.00 -0.40 0.00 0.00 41.96 38.86 1aou s TYR 61 CO 0.09 -0.83 1.80 1.17 -1.57 0.00 0.00 175.55 176.22 1aou n LYS 62 N 3.72 1.15 -3.37 -0.62 0.00 -1.26 -1.26 118.16 116.53 1aou n LYS 62 Ca 0.05 0.41 -0.38 0.00 0.00 0.00 0.00 58.31 58.39 1aou n LYS 62 Cb 0.37 -2.14 -0.06 0.00 0.00 0.00 0.00 35.03 33.20 1aou n LYS 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1aou s ILE 63 N 3.99 5.03 0.02 3.15 1.01 -0.17 -4.60 121.20 129.63 1aou s ILE 63 Ca 1.00 0.98 0.02 0.00 0.00 0.00 0.00 60.65 62.65 1aou s ILE 63 Cb -1.05 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 37.60 1aou s ILE 63 CO 0.64 0.46 -0.08 -0.13 0.00 0.00 0.00 174.94 175.84 1aou s ARG 64 N -0.35 0.56 -0.17 2.79 3.00 -1.07 -1.31 118.95 122.40 1aou s ARG 64 Ca 0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 55.73 55.47 1aou s ARG 64 Cb -0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 34.95 34.31 1aou s ARG 64 CO 0.13 0.11 -0.11 0.21 0.00 0.00 0.00 175.30 175.65 1aou s LYS 65 N -0.85 3.35 0.05 3.54 2.20 -1.26 -1.04 119.74 125.74 1aou s LYS 65 Ca -0.03 -0.67 -0.24 0.00 -0.36 0.00 0.00 55.97 54.67 1aou s LYS 65 Cb -0.06 -2.76 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1aou s LYS 65 CO 0.00 0.03 0.73 -0.51 -0.36 0.00 0.00 175.35 175.25 1aou s LEU 66 N 0.83 4.46 0.36 5.43 2.01 0.15 -4.90 118.68 127.02 1aou s LEU 66 Ca -0.03 1.42 0.27 0.00 0.01 0.00 0.00 54.13 55.79 1aou s LEU 66 Cb -0.15 -3.18 1.08 0.00 0.01 0.00 0.00 46.19 43.95 1aou s LEU 66 CO 0.01 0.06 1.81 0.44 1.01 0.00 0.00 176.35 179.67 1aou h ASP 67 N 5.50 0.00 0.63 2.29 3.32 -1.99 -1.23 116.42 124.94 1aou h ASP 67 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 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 0.70 0.00 -0.13 0.59 -1.72 0.00 0.00 179.24 178.68 1aou n ASN 68 N -2.57 0.25 0.00 6.45 3.02 -1.26 -4.84 115.26 116.31 1aou n ASN 68 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1aou n ASN 68 Cb 0.28 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 1.40 -0.26 0.00 7.41 0.00 -0.50 -5.16 105.19 108.08 1aou n GLY 69 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1aou n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aou n GLY 70 N 0.00 1.04 3.68 -0.02 0.00 -1.00 -4.81 105.19 104.09 1aou n GLY 70 Ca 0.00 0.38 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1aou n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aou s TYR 71 N 2.03 2.50 0.00 1.61 1.51 -0.85 0.33 117.35 124.48 1aou s TYR 71 Ca 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 1aou s TYR 71 Cb 0.00 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1aou s TYR 71 CO 0.00 0.30 0.00 2.48 -1.11 0.00 0.00 175.55 177.22 1aou n TYR 72 N -1.12 0.00 0.07 2.71 4.11 -0.21 -0.66 117.16 122.06 1aou n TYR 72 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.83 1aou n TYR 72 Cb 0.66 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.93 1aou n TYR 72 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 1aou h ILE 73 N 0.00 1.05 -3.93 -3.48 2.04 -1.81 -2.83 117.51 108.54 1aou h ILE 73 Ca 0.00 -2.62 -0.31 0.00 1.00 0.00 0.00 64.86 62.93 1aou h ILE 73 Cb 0.00 2.47 -0.26 0.00 -0.74 0.00 0.00 36.82 38.30 1aou h ILE 73 CO 0.00 0.60 -0.75 0.28 0.00 0.00 0.00 178.15 178.28 1aou s THR 74 N -2.82 0.46 -1.65 -0.27 -1.32 -1.26 -4.81 115.64 103.97 1aou s THR 74 Ca 0.00 -0.54 0.07 0.00 -1.21 0.00 0.00 61.69 60.01 1aou s THR 74 Cb 0.09 -0.45 0.16 0.00 -1.51 0.00 0.00 72.50 70.79 1aou s THR 74 CO 0.79 -0.07 1.01 0.35 -2.21 0.00 0.00 174.62 174.50 1aou n THR 75 N 2.40 0.53 1.30 5.08 -2.24 -1.26 -1.72 114.28 118.36 1aou n THR 75 Ca -0.17 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1aou n THR 75 Cb 0.57 -1.02 0.46 0.00 -2.10 0.00 0.00 70.33 68.24 1aou n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aou n ARG 76 N -1.17 0.78 -3.16 -0.78 1.74 -1.26 -4.72 116.66 108.09 1aou n ARG 76 Ca 0.04 -0.40 0.03 0.00 -0.77 0.00 0.00 57.85 56.76 1aou n ARG 76 Cb 0.04 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1aou n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aou s ALA 77 N -2.50 -2.34 0.51 7.54 0.00 -0.70 -5.11 121.76 119.17 1aou s ALA 77 Ca 0.26 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1aou s ALA 77 Cb 0.19 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.82 1aou s ALA 77 CO 0.50 -1.83 0.43 -0.65 0.00 0.00 0.00 175.76 174.21 1aou s GLN 78 N 2.80 2.33 0.00 0.00 -0.21 -1.26 -4.27 119.66 119.05 1aou s GLN 78 Ca 0.10 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.64 1aou s GLN 78 Cb -0.10 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.68 1aou s GLN 78 CO -0.26 -0.51 0.00 1.19 -2.12 0.00 0.00 175.29 173.60 1aou n PHE 79 N -1.73 0.00 -0.06 0.91 3.01 0.17 -4.88 117.46 114.87 1aou n PHE 79 Ca 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.43 1aou n PHE 79 Cb 0.63 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.99 1aou n PHE 79 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1aou n GLU 80 N 0.00 1.38 -3.03 -1.08 0.00 -1.26 -2.01 120.64 114.64 1aou n GLU 80 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 57.16 57.04 1aou n GLU 80 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 31.44 30.05 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 -2.45 0.00 0.08 3.84 5.66 -1.26 -4.49 114.28 115.66 1aou n THR 81 Ca -0.20 -1.04 -0.12 0.00 -3.05 0.00 0.00 64.05 59.64 1aou n THR 81 Cb 0.87 0.68 -0.13 0.00 -1.55 0.00 0.00 70.33 70.21 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 0.23 -0.31 1.09 3.38 -1.98 -2.54 115.31 115.18 1aou h LEU 82 Ca -0.18 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.34 1aou h LEU 82 Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1aou h LEU 82 CO 0.24 1.20 -0.79 1.56 0.09 0.00 0.00 178.44 180.74 1aou h GLN 83 N 0.04 0.45 -0.28 1.13 4.20 -1.96 -0.35 115.11 118.34 1aou h GLN 83 Ca -0.09 -0.40 -0.16 0.00 0.06 0.00 0.00 58.65 58.06 1aou h GLN 83 Cb 1.89 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.76 1aou h GLN 83 CO 0.17 1.04 -0.47 1.96 -0.67 0.00 0.00 178.83 180.86 1aou h GLN 84 N 0.29 0.73 0.00 1.46 7.50 -1.95 -1.63 115.11 121.51 1aou h GLN 84 Ca -0.05 -0.42 -0.21 0.00 0.50 0.00 0.00 58.65 58.48 1aou h GLN 84 Cb 1.39 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.92 1aou h GLN 84 CO 0.14 1.04 -1.00 1.37 -1.50 0.00 0.00 178.83 178.88 1aou h LEU 85 N 0.58 0.01 -1.18 1.46 8.10 -1.44 -2.34 115.31 120.50 1aou h LEU 85 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1aou h LEU 85 Cb 1.03 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.25 1aou h LEU 85 CO 0.10 1.00 0.00 -0.37 -4.11 0.00 0.00 178.44 175.06 1aou h VAL 86 N 0.00 0.00 -0.02 0.15 -1.51 -0.98 0.13 116.25 114.02 1aou h VAL 86 Ca -0.01 -0.50 -0.19 0.00 -1.23 0.00 0.00 66.70 64.77 1aou h VAL 86 Cb 1.76 1.45 0.01 0.00 -2.13 0.00 0.00 31.29 32.39 1aou h VAL 86 CO 0.13 0.00 -0.72 -0.61 -1.23 0.00 0.00 177.57 175.14 1aou h GLN 87 N 0.00 0.53 0.06 5.19 5.75 -0.88 -1.81 115.11 123.96 1aou h GLN 87 Ca 0.00 -0.54 -0.27 0.00 -0.15 0.00 0.00 58.65 57.70 1aou h GLN 87 Cb 0.53 0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.24 1aou h GLN 87 CO 0.00 1.17 -1.11 1.25 -2.65 0.00 0.00 178.83 177.48 1aou h HIS 88 N 0.10 0.79 0.00 3.99 2.76 -1.00 -3.15 115.15 118.65 1aou h HIS 88 Ca -0.08 -0.48 -0.05 0.00 -2.20 0.00 0.00 60.37 57.56 1aou h HIS 88 Cb 1.40 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.28 1aou h HIS 88 CO 0.13 1.32 -0.23 1.88 -1.30 0.00 0.00 177.93 179.73 1aou h TYR 89 N 0.24 0.00 -0.31 5.26 -1.99 -0.84 -0.32 116.97 119.01 1aou h TYR 89 Ca -0.13 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.51 1aou h TYR 89 Cb 1.78 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.50 1aou h TYR 89 CO 0.09 0.23 -0.16 1.03 -0.00 0.00 0.00 178.16 179.35 1aou h SER 90 N 0.00 0.68 0.30 3.88 0.87 -1.28 -2.89 113.55 115.11 1aou h SER 90 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1aou h SER 90 Cb 0.68 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1aou h SER 90 CO 0.03 0.94 -0.31 -0.62 -0.53 0.00 0.00 176.83 176.35 1aou n GLU 91 N -4.37 0.64 -3.72 2.24 1.02 -1.13 -4.77 120.64 110.55 1aou n GLU 91 Ca -0.03 -0.37 -0.13 0.00 -0.02 0.00 0.00 57.16 56.61 1aou n GLU 91 Cb 0.39 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.62 0.78 0.50 3.49 0.52 -0.14 -5.02 118.95 116.46 1aou s ARG 92 Ca 0.21 -0.24 0.23 0.00 -0.52 0.00 0.00 55.73 55.42 1aou s ARG 92 Cb 0.19 0.35 1.33 0.00 0.52 0.00 0.00 34.95 37.33 1aou s ARG 92 CO 0.56 -0.23 2.06 0.00 0.02 0.00 0.00 175.30 177.70 1aou h ALA 93 N 3.51 1.43 0.00 2.13 0.00 -1.78 -3.33 119.26 121.23 1aou h ALA 93 Ca -0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1aou h ALA 93 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1aou h ALA 93 CO 0.42 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1aou n ALA 94 N -2.36 0.00 0.00 0.00 0.00 -1.26 -3.23 120.51 113.66 1aou n ALA 94 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1aou n ALA 94 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 1.51 0.00 0.00 0.00 -1.26 -4.78 105.19 98.66 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 0.34 0.99 -0.00 -1.20 -4.84 117.00 112.29 1aou n LEU 96 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1aou n LEU 96 Cb 0.00 0.00 0.97 0.00 -0.00 0.00 0.00 43.42 44.39 1aou n LEU 96 CO 0.00 -0.01 1.15 -1.28 -0.00 0.00 0.00 177.39 177.25 1aou h SER 97 N 0.00 0.00 0.00 1.45 0.87 -1.99 -3.46 113.55 110.42 1aou h SER 97 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1aou h SER 97 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1aou h SER 97 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1aou n SER 98 N -2.95 0.00 -3.94 6.23 7.64 -1.26 -5.08 113.62 114.27 1aou n SER 98 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1aou n SER 98 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 1.95 -0.62 1.43 1.74 -1.26 -4.47 116.66 115.43 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 1.47 -1.52 0.00 0.00 177.63 177.58 1aou n LEU 100 N 0.00 0.00 -4.62 0.55 -0.00 -1.16 -4.85 117.00 106.93 1aou n LEU 100 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 56.01 55.42 1aou n LEU 100 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1aou n LEU 100 CO 0.00 -0.01 0.93 0.55 -0.00 0.00 0.00 177.39 178.86 1aou n VAL 101 N -0.02 0.06 -1.75 1.47 3.14 -1.22 -4.25 118.33 115.76 1aou n VAL 101 Ca 0.00 -0.01 -0.40 0.00 -2.96 0.00 0.00 64.34 60.97 1aou n VAL 101 Cb 0.00 -0.56 0.02 0.00 -1.06 0.00 0.00 33.84 32.23 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 2.91 2.71 0.07 1.55 0.31 -0.96 -4.85 118.33 120.06 1aou n VAL 102 Ca 0.23 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.85 1aou n VAL 102 Cb 0.09 -1.78 -0.13 0.00 -0.91 0.00 0.00 33.84 31.12 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 2.26 0.57 -1.91 5.55 0.13 -1.94 -3.33 132.00 133.33 1aou h PRO 103 Ca -0.50 -0.73 -0.72 0.00 -0.87 0.00 0.00 66.00 63.19 1aou h PRO 103 Cb 1.27 0.23 -0.32 0.00 0.13 0.00 0.00 31.00 32.32 1aou h PRO 103 CO 0.61 1.32 0.49 -1.13 -0.23 0.00 0.00 178.00 179.06 1aou n SER 104 N -3.91 6.60 -0.34 1.44 3.41 -1.26 -4.79 113.62 114.77 1aou n SER 104 Ca -0.13 -3.78 0.26 0.00 -0.26 0.00 0.00 58.87 54.96 1aou n SER 104 Cb 0.90 -0.89 0.51 0.00 -0.26 0.00 0.00 64.21 64.47 1aou n SER 104 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1aou h HIS 105 N 3.02 0.88 0.00 7.33 2.07 -1.97 -3.54 115.15 122.94 1aou h HIS 105 Ca 0.47 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1aou h HIS 105 Cb 0.32 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1aou h HIS 105 CO 1.08 -0.21 0.00 1.17 -3.07 0.00 0.00 177.93 176.90