#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2acg h TRP 2 N 0.00 0.00 0.00 7.33 4.06 -2.01 -2.01 115.95 123.33 2acg h TRP 2 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2acg h TRP 2 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2acg h TRP 2 CO 0.00 0.17 -0.42 0.37 -3.56 0.00 0.00 178.44 174.99 2acg h GLN 3 N 0.00 0.00 0.00 0.49 5.75 -1.96 -2.99 115.11 116.40 2acg h GLN 3 Ca -0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 2acg h GLN 3 Cb 0.62 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2acg h GLN 3 CO 0.02 0.42 -1.08 1.79 -2.65 0.00 0.00 178.83 177.34 2acg h THR 4 N 0.00 1.59 0.00 2.39 1.35 -1.79 -0.88 112.91 115.58 2acg h THR 4 Ca -0.00 -3.31 -0.04 0.00 -0.55 0.00 0.00 66.41 62.50 2acg h THR 4 Cb 0.90 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.10 2acg h THR 4 CO 0.06 0.91 -0.20 1.88 -0.25 0.00 0.00 175.52 177.91 2acg h TYR 5 N 0.00 0.00 0.00 4.73 0.05 -1.43 0.34 116.97 120.66 2acg h TYR 5 Ca -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 2acg h TYR 5 Cb 1.79 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.53 2acg h TYR 5 CO 0.00 0.20 -0.14 0.28 -1.05 0.00 0.00 178.16 177.45 2acg h VAL 6 N 0.00 1.00 -0.35 -2.88 2.07 -1.39 0.19 116.25 114.89 2acg h VAL 6 Ca -0.00 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 2acg h VAL 6 Cb 0.38 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2acg h VAL 6 CO 0.03 0.34 -0.05 0.44 0.02 0.00 0.00 177.57 178.34 2acg h ASP 7 N -1.00 0.65 0.00 0.57 3.32 -1.09 0.25 116.42 119.12 2acg h ASP 7 Ca -0.03 -0.35 -0.31 0.00 0.02 0.00 0.00 57.03 56.36 2acg h ASP 7 Cb 0.66 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 2acg h ASP 7 CO -0.02 0.85 -2.03 0.41 -1.72 0.00 0.00 179.24 176.72 2acg n THR 8 N -4.44 1.52 0.24 0.35 -1.04 0.11 -1.11 114.28 109.91 2acg n THR 8 Ca -0.02 -0.21 0.12 0.00 -2.04 0.00 0.00 64.05 61.90 2acg n THR 8 Cb 0.32 -2.04 0.50 0.00 -1.82 0.00 0.00 70.33 67.29 2acg n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2acg h ASN 9 N -1.00 0.00 0.00 8.00 2.35 -1.14 -3.19 115.58 120.60 2acg h ASN 9 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2acg h ASN 9 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2acg h ASN 9 CO -0.29 0.15 0.00 0.18 -1.65 0.00 0.00 177.43 175.83 2acg n LEU 10 N -3.28 0.00 0.12 1.61 4.77 0.03 -4.64 117.00 115.61 2acg n LEU 10 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2acg n LEU 10 Cb 0.41 -0.04 0.47 0.00 -2.33 0.00 0.00 43.42 41.93 2acg n LEU 10 CO 0.32 -0.09 1.03 0.58 -1.33 0.00 0.00 177.39 177.90 2acg h VAL 11 N 0.00 1.10 -0.11 4.08 2.07 -1.12 -2.69 116.25 119.57 2acg h VAL 11 Ca 0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2acg h VAL 11 Cb 0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2acg h VAL 11 CO 0.00 0.13 -0.07 1.23 0.02 0.00 0.00 177.57 178.88 2acg h GLY 12 N 0.46 0.18 1.37 2.17 0.00 -1.13 -2.68 103.07 103.44 2acg h GLY 12 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2acg h GLY 12 CO -0.00 0.09 0.01 -0.91 0.00 0.00 0.00 176.54 175.72 2acg h THR 13 N 0.16 1.24 0.00 4.70 1.35 -1.47 -3.47 112.91 115.42 2acg h THR 13 Ca 0.04 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2acg h THR 13 Cb 0.23 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2acg h THR 13 CO 0.01 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2acg n GLY 14 N -0.68 2.12 0.00 5.82 0.00 -1.01 -4.92 105.19 106.53 2acg n GLY 14 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2acg n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2acg n ALA 15 N -1.71 1.88 -3.28 4.61 0.00 -1.26 -4.71 120.51 116.04 2acg n ALA 15 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2acg n ALA 15 Cb 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 2acg n ALA 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2acg s VAL 16 N -2.68 -0.00 -0.11 0.00 -7.23 -1.26 -4.07 120.40 105.05 2acg s VAL 16 Ca 0.14 0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.08 2acg s VAL 16 Cb 0.11 -0.47 -0.28 0.00 0.56 0.00 0.00 36.38 36.30 2acg s VAL 16 CO 0.27 0.01 0.74 0.71 -0.31 0.00 0.00 175.10 176.51 2acg h THR 17 N 4.74 1.51 -3.65 5.32 1.35 -1.37 -3.40 112.91 117.42 2acg h THR 17 Ca -0.28 -2.41 -0.45 0.00 -0.55 0.00 0.00 66.41 62.72 2acg h THR 17 Cb 1.19 3.12 -0.19 0.00 -1.73 0.00 0.00 68.15 70.54 2acg h THR 17 CO 0.30 0.63 -0.77 -1.10 -0.25 0.00 0.00 175.52 174.33 2acg s GLN 18 N -2.34 1.04 0.23 4.72 -1.52 -1.24 -4.97 119.66 115.57 2acg s GLN 18 Ca -0.18 -1.21 -0.22 0.00 -1.95 0.00 0.00 55.36 51.80 2acg s GLN 18 Cb 0.00 -1.01 0.04 0.00 -0.22 0.00 0.00 33.01 31.82 2acg s GLN 18 CO 0.74 0.21 0.70 0.00 -0.25 0.00 0.00 175.29 176.69 2acg s ALA 19 N -1.86 -1.38 0.14 6.09 0.00 -1.26 -0.32 121.76 123.17 2acg s ALA 19 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 2acg s ALA 19 Cb -0.06 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.96 2acg s ALA 19 CO 0.04 -0.95 0.86 0.00 0.00 0.00 0.00 175.76 175.70 2acg s ALA 20 N -3.81 -1.60 -0.20 0.00 0.00 0.25 -1.96 121.76 114.44 2acg s ALA 20 Ca 0.08 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2acg s ALA 20 Cb -0.04 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.80 2acg s ALA 20 CO 0.00 -0.93 0.04 0.42 0.00 0.00 0.00 175.76 175.29 2acg s ILE 21 N -3.42 0.56 0.27 0.00 1.01 -0.97 -2.14 121.20 116.50 2acg s ILE 21 Ca 0.09 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.16 2acg s ILE 21 Cb -0.02 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2acg s ILE 21 CO -0.01 -0.24 0.42 -0.63 0.00 0.00 0.00 174.94 174.48 2acg s ILE 22 N 1.84 5.14 0.47 2.92 1.09 -0.64 0.13 121.20 132.15 2acg s ILE 22 Ca -0.00 -0.86 -0.00 0.00 -1.10 0.00 0.00 60.65 58.69 2acg s ILE 22 Cb -0.17 -3.83 -0.00 0.00 -1.06 0.00 0.00 42.46 37.40 2acg s ILE 22 CO -0.09 -0.38 0.70 -0.83 -0.10 0.00 0.00 174.94 174.24 2acg s GLY 23 N -4.01 1.58 0.24 6.18 0.00 -0.17 -1.75 107.32 109.39 2acg s GLY 23 Ca 0.36 -1.03 0.18 0.00 0.00 0.00 0.00 44.72 44.24 2acg s GLY 23 CO 0.31 -0.84 1.55 1.42 0.00 0.00 0.00 173.10 175.54 2acg n HIS 24 N -2.13 0.59 0.07 1.90 -0.00 -1.24 -1.01 115.22 113.39 2acg n HIS 24 Ca 0.02 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2acg n HIS 24 Cb 0.58 -0.96 -0.05 0.00 -0.00 0.00 0.00 29.99 29.55 2acg n HIS 24 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 2acg h ASP 25 N 0.00 0.00 0.00 0.41 2.03 -1.92 -3.44 116.42 113.50 2acg h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2acg h ASP 25 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2acg h ASP 25 CO 0.00 0.59 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 2acg n GLY 26 N 1.34 2.23 3.68 7.15 0.00 -0.18 -3.75 105.19 115.66 2acg n GLY 26 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2acg n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2acg s ASN 27 N -1.94 6.97 0.17 1.61 0.01 -1.26 -4.49 114.94 116.01 2acg s ASN 27 Ca 0.00 1.91 -0.32 0.00 -0.71 0.00 0.00 52.86 53.75 2acg s ASN 27 Cb 0.00 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 39.00 2acg s ASN 27 CO 0.00 -0.65 1.62 -0.89 -1.51 0.00 0.00 177.10 175.66 2acg s THR 28 N 2.42 2.46 -0.19 1.60 2.01 -1.26 -0.99 115.64 121.68 2acg s THR 28 Ca 0.59 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2acg s THR 28 Cb -0.27 -3.21 -0.21 0.00 0.01 0.00 0.00 72.50 68.83 2acg s THR 28 CO 0.23 0.02 0.19 0.79 -0.69 0.00 0.00 174.62 175.17 2acg n TRP 29 N 4.02 0.96 -3.86 4.92 7.02 0.12 -4.90 117.44 125.73 2acg n TRP 29 Ca 0.14 0.33 -0.09 0.00 -1.02 0.00 0.00 57.50 56.87 2acg n TRP 29 Cb 0.38 -1.11 -0.07 0.00 -2.42 0.00 0.00 31.31 28.09 2acg n TRP 29 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2acg s ALA 30 N -2.44 -0.25 0.22 6.99 0.00 -1.06 -4.91 121.76 120.31 2acg s ALA 30 Ca -0.28 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2acg s ALA 30 Cb 0.07 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.83 2acg s ALA 30 CO 0.64 -0.56 0.67 -0.08 0.00 0.00 0.00 175.76 176.43 2acg s THR 31 N -3.88 0.00 0.27 0.00 -1.32 -1.26 -2.30 115.64 107.14 2acg s THR 31 Ca 0.08 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 2acg s THR 31 Cb 0.04 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 2acg s THR 31 CO -0.08 0.00 0.45 -0.94 -2.21 0.00 0.00 174.62 171.83 2acg s SER 32 N -2.84 6.34 0.05 8.08 1.04 -0.83 -4.98 113.70 120.57 2acg s SER 32 Ca 0.07 0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.76 2acg s SER 32 Cb -0.04 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 2acg s SER 32 CO -0.02 -0.15 0.76 0.00 0.98 0.00 0.00 173.24 174.82 2acg n ALA 33 N -1.25 -0.20 -1.19 5.32 0.00 -1.26 -1.35 120.51 120.59 2acg n ALA 33 Ca -0.06 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 2acg n ALA 33 Cb 0.55 0.10 0.10 0.00 0.00 0.00 0.00 19.45 20.20 2acg n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2acg n GLY 34 N -1.08 5.23 2.94 0.00 0.00 -1.26 -4.92 105.19 106.11 2acg n GLY 34 Ca 0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 2acg n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2acg s PHE 35 N -3.34 -0.09 -0.19 1.61 5.36 -0.45 -5.08 117.98 115.79 2acg s PHE 35 Ca 0.57 0.23 -0.20 0.00 -0.96 0.00 0.00 56.93 56.58 2acg s PHE 35 Cb 0.45 0.01 0.05 0.00 -0.34 0.00 0.00 43.02 43.20 2acg s PHE 35 CO 0.02 -0.05 0.55 0.00 -1.46 0.00 0.00 175.22 174.27 2acg s ALA 36 N 0.18 -1.36 -0.06 11.12 0.00 -1.26 -4.29 121.76 126.08 2acg s ALA 36 Ca -0.01 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.49 2acg s ALA 36 Cb -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2acg s ALA 36 CO -0.00 -0.27 -0.20 0.54 0.00 0.00 0.00 175.76 175.83 2acg s VAL 37 N 0.16 1.67 0.52 0.00 0.11 -1.26 -3.93 120.40 117.66 2acg s VAL 37 Ca -0.01 -0.83 -0.19 0.00 -2.93 0.00 0.00 61.98 58.02 2acg s VAL 37 Cb -0.04 -1.44 -0.07 0.00 -1.53 0.00 0.00 36.38 33.31 2acg s VAL 37 CO 0.01 0.47 1.07 -0.94 -3.33 0.00 0.00 175.10 172.39 2acg s SER 38 N 0.16 6.05 0.22 3.54 1.04 -1.26 -4.84 113.70 118.60 2acg s SER 38 Ca -0.09 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.26 2acg s SER 38 Cb -0.14 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.73 2acg s SER 38 CO 0.04 -0.99 1.70 -0.65 0.98 0.00 0.00 173.24 174.33 2acg h PRO 39 N 1.31 0.26 -0.42 4.02 0.11 -1.97 -0.34 132.00 134.96 2acg h PRO 39 Ca -0.49 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.64 2acg h PRO 39 Cb 1.24 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2acg h PRO 39 CO 0.58 0.17 0.19 0.00 -0.21 0.00 0.00 178.00 178.74 2acg h ALA 40 N 1.50 0.52 -0.38 -0.75 0.00 -1.92 -0.08 119.26 118.15 2acg h ALA 40 Ca 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2acg h ALA 40 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2acg h ALA 40 CO -0.42 -0.17 0.02 -0.91 0.00 0.00 0.00 179.25 177.77 2acg h ASN 41 N 0.39 0.56 0.37 0.00 4.21 -1.69 -1.85 115.58 117.57 2acg h ASN 41 Ca 0.19 -0.11 -0.31 0.00 1.21 0.00 0.00 56.30 57.28 2acg h ASN 41 Cb 0.12 -0.15 0.03 0.00 -1.12 0.00 0.00 38.32 37.20 2acg h ASN 41 CO -0.15 0.62 -1.35 1.23 -1.29 0.00 0.00 177.43 176.49 2acg h GLY 42 N 0.87 0.53 2.00 2.83 0.00 -0.61 -3.04 103.07 105.65 2acg h GLY 42 Ca 0.12 -1.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.16 2acg h GLY 42 CO 0.01 1.13 -0.02 0.00 0.00 0.00 0.00 176.54 177.66 2acg h ALA 43 N 0.34 1.00 0.00 3.60 0.00 -0.98 -1.07 119.26 122.15 2acg h ALA 43 Ca -0.20 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2acg h ALA 43 Cb 2.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2acg h ALA 43 CO 0.24 0.02 -0.78 0.00 0.00 0.00 0.00 179.25 178.73 2acg h ALA 44 N 1.98 0.56 0.09 0.00 0.00 -1.34 -3.15 119.26 117.40 2acg h ALA 44 Ca -0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 2acg h ALA 44 Cb 0.66 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2acg h ALA 44 CO 0.00 0.98 -0.55 1.25 0.00 0.00 0.00 179.25 180.93 2acg h LEU 45 N 0.00 0.29 -1.98 0.00 5.85 -1.36 -3.10 115.31 115.01 2acg h LEU 45 Ca -0.01 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.75 2acg h LEU 45 Cb 1.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2acg h LEU 45 CO 0.10 1.26 0.19 0.00 -0.34 0.00 0.00 178.44 179.65 2acg h ALA 46 N 0.04 1.17 0.00 1.25 0.00 -1.28 -2.08 119.26 118.36 2acg h ALA 46 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 2acg h ALA 46 Cb 1.41 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2acg h ALA 46 CO 0.09 -0.17 -2.31 -1.71 0.00 0.00 0.00 179.25 175.14 2acg n ASN 47 N -2.70 1.05 0.07 0.00 5.15 -1.19 -4.32 115.26 113.32 2acg n ASN 47 Ca -0.02 -0.05 0.04 0.00 -0.60 0.00 0.00 54.58 53.95 2acg n ASN 47 Cb 0.23 0.46 0.22 0.00 -0.53 0.00 0.00 39.78 40.16 2acg n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2acg n ALA 48 N -2.88 0.84 0.17 5.20 0.00 -0.78 0.32 120.51 123.37 2acg n ALA 48 Ca -0.35 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.23 2acg n ALA 48 Cb 1.05 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 19.64 2acg n ALA 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2acg h PHE 49 N 0.00 0.00 0.00 0.00 0.04 -1.75 -2.27 116.94 112.96 2acg h PHE 49 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2acg h PHE 49 Cb 0.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2acg h PHE 49 CO 0.00 0.31 -1.15 0.87 -0.60 0.00 0.00 178.31 177.73 2acg h LYS 50 N 0.00 0.00 0.00 1.51 1.57 -0.40 -3.39 116.57 115.86 2acg h LYS 50 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2acg h LYS 50 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2acg h LYS 50 CO 0.04 0.35 0.00 -0.40 -0.57 0.00 0.00 179.45 178.87 2acg n ASP 51 N -2.98 0.00 -1.45 0.86 5.75 -1.16 -5.03 116.55 112.54 2acg n ASP 51 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.66 2acg n ASP 51 Cb 0.81 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 41.02 2acg n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2acg n ALA 52 N 0.00 3.71 0.07 2.12 0.00 -0.86 -4.30 120.51 121.26 2acg n ALA 52 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 53.44 52.08 2acg n ALA 52 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 2acg n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2acg h THR 53 N 0.99 0.23 -0.04 0.00 2.02 -1.96 -1.18 112.91 112.99 2acg h THR 53 Ca 0.20 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.41 2acg h THR 53 Cb 1.67 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2acg h THR 53 CO 0.43 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 176.18 2acg h ALA 54 N 0.11 -0.14 -0.02 6.16 0.00 -1.97 -2.97 119.26 120.42 2acg h ALA 54 Ca 0.05 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2acg h ALA 54 Cb 0.61 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2acg h ALA 54 CO -0.28 -0.63 -0.69 -0.84 0.00 0.00 0.00 179.25 176.81 2acg h ILE 55 N -0.22 1.45 -0.59 0.00 3.07 -1.72 -0.89 117.51 118.62 2acg h ILE 55 Ca 0.06 -2.26 0.07 0.00 1.55 0.00 0.00 64.86 64.27 2acg h ILE 55 Cb 0.30 2.21 -0.03 0.00 -0.27 0.00 0.00 36.82 39.03 2acg h ILE 55 CO -0.17 0.66 0.39 -0.09 -1.05 0.00 0.00 178.15 177.89 2acg h ARG 56 N 0.08 0.52 0.02 0.16 9.65 -1.12 0.65 114.38 124.35 2acg h ARG 56 Ca -0.01 -0.03 -0.39 0.00 -1.10 0.00 0.00 59.98 58.44 2acg h ARG 56 Cb 1.23 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 2acg h ARG 56 CO 0.10 0.34 -2.38 -1.13 2.80 0.00 0.00 179.97 179.71 2acg n SER 57 N -4.48 2.00 -0.04 -3.80 3.41 -1.13 -4.66 113.62 104.92 2acg n SER 57 Ca 0.08 -0.01 -0.16 0.00 -0.26 0.00 0.00 58.87 58.53 2acg n SER 57 Cb 0.26 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 2acg n SER 57 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2acg n ASN 58 N -3.46 1.55 0.00 4.04 3.02 -0.35 -5.10 115.26 114.96 2acg n ASN 58 Ca -0.44 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2acg n ASN 58 Cb 0.98 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 2acg n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2acg n GLY 59 N 1.91 -1.05 3.22 7.41 0.00 0.23 -5.00 105.19 111.91 2acg n GLY 59 Ca -0.31 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.47 2acg n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2acg s PHE 60 N 0.00 -0.04 0.07 1.61 -0.71 -0.94 -4.22 117.98 113.75 2acg s PHE 60 Ca 0.00 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.82 2acg s PHE 60 Cb 0.00 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2acg s PHE 60 CO 0.00 -0.47 -0.08 -1.21 -1.34 0.00 0.00 175.22 172.12 2acg s GLU 61 N -2.49 2.31 -0.15 1.99 2.02 -1.26 0.42 118.70 121.54 2acg s GLU 61 Ca -0.05 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 2acg s GLU 61 Cb -0.01 -2.39 0.07 0.00 0.10 0.00 0.00 34.13 31.90 2acg s GLU 61 CO -0.03 0.54 0.32 -0.51 0.02 0.00 0.00 175.26 175.60 2acg s LEU 62 N -1.94 -0.37 -1.57 1.80 1.02 -0.30 -4.89 118.68 112.44 2acg s LEU 62 Ca 0.20 0.73 -0.10 0.00 0.02 0.00 0.00 54.13 54.98 2acg s LEU 62 Cb -0.11 0.94 0.09 0.00 0.02 0.00 0.00 46.19 47.13 2acg s LEU 62 CO 0.12 -0.23 0.62 0.00 0.02 0.00 0.00 176.35 176.88 2acg n ALA 63 N 5.26 -1.58 0.00 4.21 0.00 -1.25 -1.06 120.51 126.08 2acg n ALA 63 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2acg n ALA 63 Cb 0.50 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2acg n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2acg n GLY 64 N -1.69 2.52 3.78 0.00 0.00 -1.26 -5.01 105.19 103.53 2acg n GLY 64 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2acg n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2acg s THR 65 N -2.19 5.24 -0.33 2.61 2.01 -0.22 -5.05 115.64 117.70 2acg s THR 65 Ca 0.00 0.63 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 2acg s THR 65 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 2acg s THR 65 CO 0.00 0.48 0.50 -0.60 -0.69 0.00 0.00 174.62 174.30 2acg s ARG 66 N -0.22 3.69 0.23 4.92 6.06 -1.26 -1.14 118.95 131.23 2acg s ARG 66 Ca 0.19 -0.11 0.06 0.00 -2.50 0.00 0.00 55.73 53.37 2acg s ARG 66 Cb -0.14 -3.78 -0.03 0.00 0.06 0.00 0.00 34.95 31.05 2acg s ARG 66 CO 0.07 -0.58 0.27 0.71 -2.50 0.00 0.00 175.30 173.27 2acg s TYR 67 N 2.34 3.28 -0.15 5.12 2.02 0.17 -4.82 117.35 125.31 2acg s TYR 67 Ca 0.18 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2acg s TYR 67 Cb -0.16 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 2acg s TYR 67 CO 0.13 0.49 -0.04 0.08 -1.57 0.00 0.00 175.55 174.63 2acg s VAL 68 N -2.01 3.87 -0.08 0.71 1.01 0.07 -2.21 120.40 121.75 2acg s VAL 68 Ca 0.33 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2acg s VAL 68 Cb -0.09 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2acg s VAL 68 CO 0.27 0.50 1.78 -0.89 0.00 0.00 0.00 175.10 176.76 2acg s THR 69 N 0.27 3.41 -0.15 3.92 2.01 -1.26 -1.11 115.64 122.74 2acg s THR 69 Ca -0.03 0.49 -0.15 0.00 0.31 0.00 0.00 61.69 62.31 2acg s THR 69 Cb -0.14 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2acg s THR 69 CO 0.03 -0.09 -0.29 -0.38 -0.69 0.00 0.00 174.62 173.20 2acg n ILE 70 N 5.92 1.23 -4.38 1.82 5.41 -0.62 -4.97 119.36 123.77 2acg n ILE 70 Ca 0.19 0.21 -0.28 0.00 1.00 0.00 0.00 62.75 63.87 2acg n ILE 70 Cb 0.43 -2.20 -0.11 0.00 -0.71 0.00 0.00 39.64 37.05 2acg n ILE 70 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2acg s ARG 71 N -2.56 1.64 -0.33 0.38 3.52 -1.18 -4.99 118.95 115.42 2acg s ARG 71 Ca -0.24 -1.40 -0.09 0.00 -0.13 0.00 0.00 55.73 53.88 2acg s ARG 71 Cb 0.03 -1.95 0.19 0.00 -1.56 0.00 0.00 34.95 31.66 2acg s ARG 71 CO 0.35 0.43 1.05 0.00 -0.81 0.00 0.00 175.30 176.32 2acg s ALA 72 N -1.50 -4.43 0.00 6.12 0.00 -1.21 -0.81 121.76 119.93 2acg s ALA 72 Ca 0.20 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2acg s ALA 72 Cb -0.09 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2acg s ALA 72 CO 0.10 -2.50 0.00 -0.40 0.00 0.00 0.00 175.76 172.96 2acg n ASP 73 N 3.52 0.11 -1.34 0.00 5.68 0.17 -4.92 116.55 119.77 2acg n ASP 73 Ca 0.07 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.44 2acg n ASP 73 Cb 0.63 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.93 2acg n ASP 73 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2acg n ASP 74 N 0.00 4.46 0.00 -1.12 5.75 -1.26 -4.32 116.55 120.06 2acg n ASP 74 Ca 0.00 -2.58 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 2acg n ASP 74 Cb 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 2acg n ASP 74 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2acg n ARG 75 N 0.60 0.84 -3.93 0.11 0.63 -1.26 -4.92 116.66 108.72 2acg n ARG 75 Ca 0.23 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.97 2acg n ARG 75 Cb 0.87 -0.36 -0.17 0.00 0.45 0.00 0.00 32.46 33.25 2acg n ARG 75 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2acg s SER 76 N -0.81 0.90 -0.15 6.15 0.01 -1.26 -1.03 113.70 117.51 2acg s SER 76 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2acg s SER 76 Cb 0.00 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.92 2acg s SER 76 CO 0.00 -0.12 -0.14 -0.69 0.41 0.00 0.00 173.24 172.70 2acg s VAL 77 N 1.31 1.56 0.07 3.43 1.01 -0.86 0.45 120.40 127.36 2acg s VAL 77 Ca -0.05 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2acg s VAL 77 Cb -0.13 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2acg s VAL 77 CO -0.02 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 2acg s TYR 78 N 1.46 2.50 0.14 5.22 2.02 0.01 -1.30 117.35 127.41 2acg s TYR 78 Ca 0.04 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2acg s TYR 78 Cb -0.13 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2acg s TYR 78 CO -0.10 0.28 0.14 0.20 -1.57 0.00 0.00 175.55 174.50 2acg s GLY 79 N -1.66 0.79 0.06 0.71 0.00 -0.78 -1.59 107.32 104.85 2acg s GLY 79 Ca 0.15 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.50 2acg s GLY 79 CO 0.06 -1.16 0.27 -1.59 0.00 0.00 0.00 173.10 170.68 2acg s LYS 80 N -4.02 0.81 -0.34 2.90 -2.85 -0.27 -2.34 119.74 113.64 2acg s LYS 80 Ca 0.21 -0.61 -0.00 0.00 -1.00 0.00 0.00 55.97 54.57 2acg s LYS 80 Cb 0.06 0.35 0.13 0.00 -2.06 0.00 0.00 37.83 36.31 2acg s LYS 80 CO 0.01 -0.26 0.22 0.21 0.10 0.00 0.00 175.35 175.63 2acg s LYS 81 N -2.84 0.48 7.67 1.78 2.36 0.15 -0.75 119.74 128.59 2acg s LYS 81 Ca -0.03 -1.05 0.00 0.00 -2.55 0.00 0.00 55.97 52.34 2acg s LYS 81 Cb 0.00 -1.16 0.00 0.00 -1.05 0.00 0.00 37.83 35.63 2acg s LYS 81 CO -0.05 -1.16 0.00 0.41 1.55 0.00 0.00 175.35 176.10 2acg n GLY 82 N 4.37 2.99 1.82 5.54 0.00 -1.26 -2.09 105.19 116.56 2acg n GLY 82 Ca 0.08 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2acg n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2acg n SER 83 N 7.78 5.30 -4.32 1.61 3.41 -1.26 -4.93 113.62 121.21 2acg n SER 83 Ca 0.00 -3.04 -0.17 0.00 -0.26 0.00 0.00 58.87 55.41 2acg n SER 83 Cb 0.00 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.16 2acg n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2acg s ALA 84 N -2.85 1.76 0.00 7.33 0.00 -0.89 -3.03 121.76 124.08 2acg s ALA 84 Ca 0.54 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2acg s ALA 84 Cb 0.42 0.78 0.00 0.00 0.00 0.00 0.00 23.12 24.32 2acg s ALA 84 CO 0.14 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2acg n GLY 85 N -0.44 -1.16 2.99 0.00 0.00 -0.50 0.32 105.19 106.40 2acg n GLY 85 Ca -0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2acg n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2acg s VAL 86 N -3.00 0.40 -0.20 1.61 0.11 -0.99 -0.86 120.40 117.47 2acg s VAL 86 Ca 0.00 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 2acg s VAL 86 Cb 0.00 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2acg s VAL 86 CO 0.00 -0.12 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.01 2acg s ILE 87 N -0.67 3.86 -0.09 7.04 -1.09 -0.47 -1.87 121.20 127.91 2acg s ILE 87 Ca -0.04 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 2acg s ILE 87 Cb -0.05 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2acg s ILE 87 CO -0.00 0.43 -0.17 0.42 -1.23 0.00 0.00 174.94 174.39 2acg s THR 88 N 1.08 1.52 -0.09 2.92 -4.23 -0.42 -1.86 115.64 114.56 2acg s THR 88 Ca 0.02 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2acg s THR 88 Cb -0.14 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.36 2acg s THR 88 CO 0.01 0.44 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.76 2acg s VAL 89 N 0.67 0.97 0.04 2.29 1.01 0.27 -2.04 120.40 123.62 2acg s VAL 89 Ca -0.13 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2acg s VAL 89 Cb -0.16 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2acg s VAL 89 CO 0.04 0.35 0.93 -0.75 0.00 0.00 0.00 175.10 175.66 2acg s LYS 90 N 1.41 4.60 0.10 2.72 2.20 -0.20 -0.33 119.74 130.23 2acg s LYS 90 Ca -0.01 1.35 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2acg s LYS 90 Cb -0.13 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2acg s LYS 90 CO -0.04 0.10 0.06 0.25 -0.36 0.00 0.00 175.35 175.35 2acg n THR 91 N 3.34 0.00 0.12 3.43 -2.24 -0.90 -4.91 114.28 113.13 2acg n THR 91 Ca 0.03 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.38 2acg n THR 91 Cb 0.50 -0.32 0.13 0.00 -2.10 0.00 0.00 70.33 68.54 2acg n THR 91 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2acg h SER 92 N 0.14 0.04 0.00 3.42 4.64 -1.91 -3.37 113.55 116.51 2acg h SER 92 Ca -0.07 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2acg h SER 92 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2acg h SER 92 CO 0.10 0.70 -0.33 0.29 -0.87 0.00 0.00 176.83 176.72 2acg n LYS 93 N -3.76 4.23 -1.06 4.77 5.02 0.11 -5.00 118.16 122.47 2acg n LYS 93 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2acg n LYS 93 Cb 0.66 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 2acg n LYS 93 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2acg n ALA 94 N -1.08 0.00 -3.39 7.82 0.00 -1.05 -3.70 120.51 119.12 2acg n ALA 94 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2acg n ALA 94 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2acg n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2acg s ILE 95 N -0.66 -0.74 0.29 0.00 1.01 -0.72 -2.11 121.20 118.27 2acg s ILE 95 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 2acg s ILE 95 Cb 0.00 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.54 2acg s ILE 95 CO 0.00 -0.04 0.76 -0.76 0.00 0.00 0.00 174.94 174.89 2acg s LEU 96 N 2.66 4.18 -0.14 2.97 1.43 0.55 -1.62 118.68 128.71 2acg s LEU 96 Ca 0.10 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 2acg s LEU 96 Cb -0.14 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 42.23 2acg s LEU 96 CO -0.17 -0.11 0.31 -0.63 0.23 0.00 0.00 176.35 175.98 2acg s ILE 97 N -1.80 -0.31 -0.02 -0.59 1.01 -0.91 -0.56 121.20 118.03 2acg s ILE 97 Ca 0.50 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2acg s ILE 97 Cb -0.13 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.88 2acg s ILE 97 CO 0.19 0.08 0.02 -0.83 0.00 0.00 0.00 174.94 174.40 2acg s GLY 98 N 2.02 0.12 0.15 6.18 0.00 -0.78 -0.58 107.32 114.42 2acg s GLY 98 Ca -0.03 0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.99 2acg s GLY 98 CO -0.10 0.63 0.18 -1.34 0.00 0.00 0.00 173.10 172.47 2acg s VAL 99 N 0.99 4.77 0.06 1.40 -7.23 0.56 -1.37 120.40 119.59 2acg s VAL 99 Ca -0.09 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2acg s VAL 99 Cb -0.12 -3.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 2acg s VAL 99 CO -0.03 -0.07 -0.05 -0.72 -0.31 0.00 0.00 175.10 173.92 2acg s TYR 100 N -1.70 0.65 0.00 2.82 -0.85 -0.04 -1.04 117.35 117.18 2acg s TYR 100 Ca 0.32 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 2acg s TYR 100 Cb -0.11 -0.41 0.00 0.00 0.38 0.00 0.00 41.96 41.83 2acg s TYR 100 CO 0.25 -0.20 0.00 0.27 -1.52 0.00 0.00 175.55 174.35 2acg n ASN 101 N 0.60 1.31 0.28 -0.18 0.23 -1.26 -1.41 115.26 114.83 2acg n ASN 101 Ca -0.17 -1.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.02 2acg n ASN 101 Cb 0.59 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.12 2acg n ASN 101 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2acg h GLU 102 N 0.00 0.00 -0.00 -3.83 9.09 -1.94 -1.88 114.58 116.02 2acg h GLU 102 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2acg h GLU 102 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2acg h GLU 102 CO 0.00 0.04 -0.05 1.63 0.05 0.00 0.00 179.01 180.68 2acg n LYS 103 N -3.85 0.30 -4.94 1.06 4.76 -1.26 -4.79 118.16 109.45 2acg n LYS 103 Ca -0.03 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.09 2acg n LYS 103 Cb 0.13 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.67 2acg n LYS 103 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2acg s ILE 104 N -2.72 1.91 0.07 -0.18 1.01 -0.71 -5.14 121.20 115.45 2acg s ILE 104 Ca 0.23 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2acg s ILE 104 Cb 0.20 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.98 2acg s ILE 104 CO 0.50 0.38 0.52 -1.10 0.00 0.00 0.00 174.94 175.24 2acg s GLN 105 N -0.96 4.06 0.39 2.79 -0.21 -1.26 -4.61 119.66 119.85 2acg s GLN 105 Ca 0.10 0.58 0.14 0.00 0.02 0.00 0.00 55.36 56.19 2acg s GLN 105 Cb -0.09 -3.16 0.97 0.00 1.00 0.00 0.00 33.01 31.73 2acg s GLN 105 CO 0.01 0.61 1.85 -1.35 -2.12 0.00 0.00 175.29 174.29 2acg h PRO 106 N 4.33 0.51 0.04 2.91 0.11 -1.95 -0.98 132.00 136.97 2acg h PRO 106 Ca -0.50 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.36 2acg h PRO 106 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2acg h PRO 106 CO 0.63 0.34 -1.03 0.78 -0.21 0.00 0.00 178.00 178.51 2acg h GLY 107 N 0.53 0.15 0.73 -0.55 0.00 -1.97 -1.66 103.07 100.30 2acg h GLY 107 Ca 0.47 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2acg h GLY 107 CO -0.21 0.31 -0.04 -0.84 0.00 0.00 0.00 176.54 175.76 2acg h THR 108 N 0.05 1.30 0.80 4.70 2.02 -1.66 0.11 112.91 120.23 2acg h THR 108 Ca -0.06 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2acg h THR 108 Cb 1.74 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2acg h THR 108 CO 0.15 0.29 -0.44 0.00 0.37 0.00 0.00 175.52 175.89 2acg h ALA 109 N 0.68 -1.28 -1.08 6.16 0.00 -1.27 -2.90 119.26 119.58 2acg h ALA 109 Ca 0.03 -0.24 0.29 0.00 0.00 0.00 0.00 54.91 54.99 2acg h ALA 109 Cb 0.46 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 2acg h ALA 109 CO 0.01 -1.22 0.70 0.00 0.00 0.00 0.00 179.25 178.74 2acg h ALA 110 N -1.33 2.33 -0.18 0.00 0.00 -1.29 -1.11 119.26 117.68 2acg h ALA 110 Ca -0.11 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2acg h ALA 110 Cb 0.90 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2acg h ALA 110 CO 0.14 -0.76 -0.20 -0.97 0.00 0.00 0.00 179.25 177.46 2acg h ASN 111 N 0.34 0.49 -0.01 0.00 -1.24 -0.65 -1.62 115.58 112.89 2acg h ASN 111 Ca 0.63 -0.49 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2acg h ASN 111 Cb 1.68 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.59 2acg h ASN 111 CO -0.31 0.88 0.00 0.58 -1.29 0.00 0.00 177.43 177.30 2acg h VAL 112 N 0.11 1.14 0.77 2.57 2.07 -1.01 -1.54 116.25 120.36 2acg h VAL 112 Ca 0.03 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2acg h VAL 112 Cb 0.75 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2acg h VAL 112 CO 0.05 0.11 -0.38 0.58 0.02 0.00 0.00 177.57 177.95 2acg h VAL 113 N -0.15 0.23 -0.82 2.57 2.07 -1.48 -1.90 116.25 116.77 2acg h VAL 113 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2acg h VAL 113 Cb 0.17 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.02 2acg h VAL 113 CO -0.00 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 176.99 2acg h GLU 114 N -1.04 -0.03 -0.34 1.57 4.39 -1.29 0.48 114.58 118.31 2acg h GLU 114 Ca -0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2acg h GLU 114 Cb 0.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2acg h GLU 114 CO 0.17 -0.02 0.12 0.87 -1.16 0.00 0.00 179.01 178.98 2acg h LYS 115 N -0.03 0.52 -0.47 2.33 6.56 -1.23 -2.36 116.57 121.88 2acg h LYS 115 Ca 0.36 -0.11 -0.00 0.00 -1.06 0.00 0.00 60.65 59.84 2acg h LYS 115 Cb 0.60 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.16 2acg h LYS 115 CO -0.86 0.54 0.29 1.25 -2.06 0.00 0.00 179.45 178.61 2acg h LEU 116 N 0.39 0.56 -0.52 2.94 5.85 -0.20 -1.53 115.31 122.80 2acg h LEU 116 Ca 0.11 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2acg h LEU 116 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2acg h LEU 116 CO -0.01 0.43 0.31 0.00 -0.34 0.00 0.00 178.44 178.83 2acg h ALA 117 N 1.67 0.67 -0.01 1.25 0.00 -0.65 -1.77 119.26 120.42 2acg h ALA 117 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2acg h ALA 117 Cb -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2acg h ALA 117 CO -0.03 0.16 -0.23 -0.44 0.00 0.00 0.00 179.25 178.71 2acg h ASP 118 N 0.70 -0.67 -0.24 0.00 3.32 -0.78 -0.63 116.42 118.12 2acg h ASP 118 Ca 0.19 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.39 2acg h ASP 118 Cb 0.00 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 2acg h ASP 118 CO -0.03 -0.29 -0.33 0.22 -1.72 0.00 0.00 179.24 177.08 2acg h TYR 119 N -0.35 -0.93 -0.82 4.55 3.20 -1.24 0.34 116.97 121.72 2acg h TYR 119 Ca 0.06 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2acg h TYR 119 Cb 0.44 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2acg h TYR 119 CO -0.27 -0.40 0.40 -0.07 -1.64 0.00 0.00 178.16 176.18 2acg h LEU 120 N -0.34 1.07 -1.00 2.82 3.38 -0.91 -2.16 115.31 118.16 2acg h LEU 120 Ca 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2acg h LEU 120 Cb 0.55 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2acg h LEU 120 CO -0.43 0.90 0.49 0.40 0.09 0.00 0.00 178.44 179.88 2acg h ILE 121 N 1.17 1.25 0.00 1.22 2.04 -0.65 0.45 117.51 122.98 2acg h ILE 121 Ca 0.28 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2acg h ILE 121 Cb 0.11 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2acg h ILE 121 CO -0.04 0.27 -0.03 1.23 0.00 0.00 0.00 178.15 179.58 2acg h GLY 122 N 1.21 0.00 0.77 5.37 0.00 -0.31 -1.65 103.07 108.47 2acg h GLY 122 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2acg h GLY 122 CO -0.05 0.00 -1.03 -1.06 0.00 0.00 0.00 176.54 174.40 2acg n GLN 123 N -3.85 0.41 0.00 4.80 1.13 -0.19 -4.97 117.38 114.72 2acg n GLN 123 Ca -0.03 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2acg n GLN 123 Cb 0.12 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.80 2acg n GLN 123 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2acg n GLY 124 N 1.30 1.36 0.00 1.08 0.00 -0.03 -5.08 105.19 103.82 2acg n GLY 124 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2acg n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01