#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s GLU 2 N 0.00 1.65 -0.52 -1.08 2.02 -1.26 -5.07 118.70 114.45 3ag3 s GLU 2 Ca 0.00 -1.73 -0.25 0.00 0.02 0.00 0.00 54.97 53.01 3ag3 s GLU 2 Cb 0.00 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.49 3ag3 s GLU 2 CO 0.00 0.34 0.95 1.21 0.02 0.00 0.00 175.26 177.78 3ag3 s ASN 3 N -3.38 6.41 -0.28 -0.19 3.84 -1.26 -4.86 114.94 115.22 3ag3 s ASN 3 Ca 0.28 -0.12 0.10 0.00 0.21 0.00 0.00 52.86 53.34 3ag3 s ASN 3 Cb -0.05 -2.45 0.54 0.00 -0.55 0.00 0.00 41.25 38.74 3ag3 s ASN 3 CO 0.14 -1.17 1.52 0.54 -2.79 0.00 0.00 177.10 175.34 3ag3 n ARG 4 N 7.41 2.24 0.01 0.43 5.12 -1.26 -4.66 116.66 125.95 3ag3 n ARG 4 Ca 0.04 -3.08 -0.01 0.00 -1.93 0.00 0.00 57.85 52.88 3ag3 n ARG 4 Cb 0.48 -1.88 0.28 0.00 -1.16 0.00 0.00 32.46 30.18 3ag3 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ag3 h VAL 5 N 1.28 1.21 -0.51 1.55 2.07 -2.00 -2.71 116.25 117.13 3ag3 h VAL 5 Ca 0.21 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3ag3 h VAL 5 Cb 1.76 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3ag3 h VAL 5 CO 0.44 0.30 0.20 0.00 0.02 0.00 0.00 177.57 178.52 3ag3 h ALA 6 N 1.47 1.39 -0.84 1.67 0.00 -2.00 0.29 119.26 121.24 3ag3 h ALA 6 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ag3 h ALA 6 Cb 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ag3 h ALA 6 CO 0.02 0.46 0.54 0.93 0.00 0.00 0.00 179.25 181.20 3ag3 h GLU 7 N 0.73 1.12 -0.21 0.00 5.08 -1.85 -1.31 114.58 118.15 3ag3 h GLU 7 Ca 0.18 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3ag3 h GLU 7 Cb 0.16 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ag3 h GLU 7 CO -0.02 0.76 -0.43 0.87 -1.00 0.00 0.00 179.01 179.19 3ag3 h LYS 8 N 1.14 0.50 -0.28 2.33 1.79 -1.03 -1.80 116.57 119.21 3ag3 h LYS 8 Ca 0.30 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3ag3 h LYS 8 Cb -0.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 3ag3 h LYS 8 CO -0.06 0.84 0.11 1.96 -1.08 0.00 0.00 179.45 181.21 3ag3 h GLN 9 N 0.41 0.43 -0.48 3.15 4.20 -0.15 -0.17 115.11 122.50 3ag3 h GLN 9 Ca 0.03 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.72 3ag3 h GLN 9 Cb 0.92 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 3ag3 h GLN 9 CO 0.08 0.46 0.19 -0.22 -0.67 0.00 0.00 178.83 178.67 3ag3 h LYS 10 N 0.30 0.37 0.14 1.46 3.64 -1.09 -1.35 116.57 120.04 3ag3 h LYS 10 Ca 0.09 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3ag3 h LYS 10 Cb 0.20 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3ag3 h LYS 10 CO -0.01 0.24 -0.34 1.25 -2.27 0.00 0.00 179.45 178.32 3ag3 h LEU 11 N 0.38 -0.99 0.00 5.20 5.85 -1.00 -1.42 115.31 123.34 3ag3 h LEU 11 Ca 0.23 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3ag3 h LEU 11 Cb 0.21 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3ag3 h LEU 11 CO -0.22 -0.43 0.00 0.49 -0.34 0.00 0.00 178.44 177.94 3ag3 n PHE 12 N -5.43 0.00 0.68 1.25 3.01 -0.10 -2.28 117.46 114.59 3ag3 n PHE 12 Ca -0.07 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.50 3ag3 n PHE 12 Cb 0.34 -0.42 0.12 0.00 -0.01 0.00 0.00 39.48 39.52 3ag3 n PHE 12 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3ag3 n GLN 13 N -1.42 2.12 -1.61 -1.08 6.02 -0.52 -4.99 117.38 115.90 3ag3 n GLN 13 Ca 0.09 -1.92 -0.49 0.00 -0.01 0.00 0.00 57.00 54.67 3ag3 n GLN 13 Cb 0.27 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 3ag3 n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ag3 n GLU 14 N 1.25 1.48 -1.88 -1.09 2.13 -0.56 -4.83 120.64 117.14 3ag3 n GLU 14 Ca 0.14 0.53 -0.42 0.00 0.66 0.00 0.00 57.16 58.07 3ag3 n GLU 14 Cb 0.55 -2.15 -0.00 0.00 0.27 0.00 0.00 31.44 30.10 3ag3 n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3ag3 n ASP 15 N 2.46 4.90 -0.49 4.31 4.64 -1.26 -4.50 116.55 126.61 3ag3 n ASP 15 Ca 0.16 -2.91 0.04 0.00 -1.38 0.00 0.00 54.79 50.70 3ag3 n ASP 15 Cb 0.25 -1.58 0.11 0.00 -1.04 0.00 0.00 41.12 38.86 3ag3 n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ag3 n ASN 16 N 4.99 2.66 0.00 1.67 0.23 -1.26 -4.99 115.26 118.56 3ag3 n ASN 16 Ca 0.51 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3ag3 n ASN 16 Cb 0.36 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3ag3 n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ag3 n GLY 17 N 0.30 0.29 3.76 4.83 0.00 -1.26 -4.98 105.19 108.13 3ag3 n GLY 17 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3ag3 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 18 N 0.00 4.48 0.69 0.99 1.43 -1.26 -5.03 118.68 119.99 3ag3 s LEU 18 Ca 0.00 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 3ag3 s LEU 18 Cb 0.00 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3ag3 s LEU 18 CO 0.00 -0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.37 3ag3 s PRO 19 N -1.63 2.63 0.53 1.29 0.04 -1.26 -4.78 135.00 131.82 3ag3 s PRO 19 Ca 0.47 1.35 0.20 0.00 0.04 0.00 0.00 61.00 63.06 3ag3 s PRO 19 Cb -0.29 -1.93 1.34 0.00 0.04 0.00 0.00 34.50 33.66 3ag3 s PRO 19 CO 0.36 -1.38 2.09 -0.24 0.04 0.00 0.00 177.00 177.87 3ag3 h VAL 20 N -0.28 0.88 0.00 -0.36 3.04 -1.98 -0.12 116.25 117.43 3ag3 h VAL 20 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3ag3 h VAL 20 Cb 1.24 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3ag3 h VAL 20 CO 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.09 3ag3 n HIS 21 N -4.45 0.00 -0.24 3.17 1.44 -1.26 -2.61 115.22 111.27 3ag3 n HIS 21 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3ag3 n HIS 21 Cb 0.29 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.08 3ag3 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3ag3 n LEU 22 N -1.33 1.11 0.04 2.39 4.77 -0.09 -4.77 117.00 119.12 3ag3 n LEU 22 Ca 0.10 -1.11 0.14 0.00 -0.03 0.00 0.00 56.01 55.10 3ag3 n LEU 22 Cb 0.21 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.84 3ag3 n LEU 22 CO 0.19 0.28 0.93 1.17 -1.33 0.00 0.00 177.39 178.63 3ag3 n LYS 23 N -0.18 0.09 0.00 3.23 4.81 -0.98 -2.53 118.16 122.60 3ag3 n LYS 23 Ca 0.00 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.64 3ag3 n LYS 23 Cb 0.18 -1.60 0.58 0.00 0.02 0.00 0.00 35.03 34.21 3ag3 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag3 n GLY 24 N 1.41 -1.31 0.00 3.14 0.00 -1.26 -4.80 105.19 102.37 3ag3 n GLY 24 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3ag3 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 25 N 1.08 0.16 0.30 -0.02 0.00 -1.05 -4.79 105.19 100.86 3ag3 n GLY 25 Ca 0.08 -2.28 0.01 0.00 0.00 0.00 0.00 46.02 43.83 3ag3 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 26 N 0.00 1.48 -0.12 4.61 0.00 -1.96 -0.22 119.26 123.05 3ag3 h ALA 26 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ag3 h ALA 26 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ag3 h ALA 26 CO 0.00 0.40 0.10 1.15 0.00 0.00 0.00 179.25 180.90 3ag3 h THR 27 N 0.62 0.76 -0.27 0.00 2.02 -1.96 -2.04 112.91 112.04 3ag3 h THR 27 Ca 0.15 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.20 3ag3 h THR 27 Cb 0.14 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3ag3 h THR 27 CO -0.01 0.00 -0.33 0.44 0.37 0.00 0.00 175.52 175.99 3ag3 h ASP 28 N 0.00 0.75 -0.55 4.18 5.19 -1.35 -1.76 116.42 122.88 3ag3 h ASP 28 Ca 0.06 -0.49 -0.08 0.00 -0.62 0.00 0.00 57.03 55.90 3ag3 h ASP 28 Cb 0.25 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 3ag3 h ASP 28 CO -0.00 1.09 0.05 0.78 -3.12 0.00 0.00 179.24 178.04 3ag3 h ASN 29 N 0.43 0.91 -0.41 6.45 2.35 -1.41 -0.14 115.58 123.75 3ag3 h ASN 29 Ca 0.04 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.45 3ag3 h ASN 29 Cb 0.91 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3ag3 h ASN 29 CO 0.08 0.97 0.04 0.40 -1.65 0.00 0.00 177.43 177.26 3ag3 h ILE 30 N 0.82 1.25 -0.63 2.81 2.04 -1.16 -1.42 117.51 121.21 3ag3 h ILE 30 Ca 0.16 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3ag3 h ILE 30 Cb 0.47 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3ag3 h ILE 30 CO 0.02 0.32 0.33 0.25 0.00 0.00 0.00 178.15 179.07 3ag3 h LEU 31 N 0.54 0.80 -0.53 1.44 5.85 -1.04 0.48 115.31 122.86 3ag3 h LEU 31 Ca 0.12 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ag3 h LEU 31 Cb 0.42 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3ag3 h LEU 31 CO 0.01 0.68 0.35 0.22 -0.34 0.00 0.00 178.44 179.36 3ag3 h TYR 32 N 0.86 0.66 -0.47 1.25 3.20 -0.91 -0.12 116.97 121.44 3ag3 h TYR 32 Ca 0.22 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 3ag3 h TYR 32 Cb 0.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3ag3 h TYR 32 CO -0.01 0.41 -0.23 0.00 -1.64 0.00 0.00 178.16 176.69 3ag3 h ARG 33 N 0.70 0.98 -0.05 1.82 3.08 -0.77 0.45 114.38 120.60 3ag3 h ARG 33 Ca 0.20 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.84 3ag3 h ARG 33 Cb -0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3ag3 h ARG 33 CO -0.05 1.10 -0.09 0.28 -1.07 0.00 0.00 179.97 180.14 3ag3 h VAL 34 N 0.83 0.74 0.11 2.04 2.07 -0.74 -1.31 116.25 119.98 3ag3 h VAL 34 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3ag3 h VAL 34 Cb 0.81 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3ag3 h VAL 34 CO 0.07 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.35 3ag3 h THR 35 N -0.14 0.92 -0.22 2.57 2.02 -0.76 -1.74 112.91 115.56 3ag3 h THR 35 Ca 0.05 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 3ag3 h THR 35 Cb 0.21 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3ag3 h THR 35 CO -0.13 0.02 -0.23 -0.03 0.37 0.00 0.00 175.52 175.51 3ag3 h MET 36 N -0.19 0.40 -0.22 6.66 -1.53 -0.90 0.12 114.93 119.28 3ag3 h MET 36 Ca -0.01 -0.14 -0.00 0.00 -3.44 0.00 0.00 59.70 56.10 3ag3 h MET 36 Cb 0.15 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 3ag3 h MET 36 CO 0.02 0.62 0.13 1.15 0.14 0.00 0.00 176.91 178.97 3ag3 h THR 37 N 0.36 1.09 -0.36 -0.77 2.02 -1.11 0.23 112.91 114.36 3ag3 h THR 37 Ca 0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3ag3 h THR 37 Cb 0.61 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3ag3 h THR 37 CO 0.04 0.09 0.08 -0.07 0.37 0.00 0.00 175.52 176.03 3ag3 h LEU 38 N 0.26 0.55 -0.27 2.58 3.38 -1.15 0.10 115.31 120.77 3ag3 h LEU 38 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ag3 h LEU 38 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ag3 h LEU 38 CO -0.01 0.65 0.14 0.00 0.09 0.00 0.00 178.44 179.30 3ag3 h LEU 40 N 0.31 0.74 -0.65 0.00 3.38 -0.39 -1.38 115.31 117.31 3ag3 h LEU 40 Ca 0.09 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 3ag3 h LEU 40 Cb 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3ag3 h LEU 40 CO -0.01 1.34 0.22 1.23 0.09 0.00 0.00 178.44 181.32 3ag3 h GLY 41 N 0.20 1.07 1.31 0.83 0.00 -0.87 -0.79 103.07 104.81 3ag3 h GLY 41 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3ag3 h GLY 41 CO 0.15 0.58 0.45 -1.33 0.00 0.00 0.00 176.54 176.39 3ag3 h GLY 42 N 0.93 0.99 1.12 4.60 0.00 -0.65 -0.12 103.07 109.94 3ag3 h GLY 42 Ca 0.21 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 3ag3 h GLY 42 CO -0.01 0.37 -0.42 -0.84 0.00 0.00 0.00 176.54 175.64 3ag3 h THR 43 N 0.95 1.27 -0.47 4.70 2.02 -0.70 0.19 112.91 120.87 3ag3 h THR 43 Ca 0.26 -1.59 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 3ag3 h THR 43 Cb -0.09 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3ag3 h THR 43 CO -0.05 0.53 -0.02 -0.07 0.37 0.00 0.00 175.52 176.27 3ag3 h LEU 44 N 0.72 0.84 -1.02 2.58 3.38 -0.92 -1.66 115.31 119.22 3ag3 h LEU 44 Ca 0.05 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3ag3 h LEU 44 Cb 1.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ag3 h LEU 44 CO 0.10 0.96 0.24 0.22 0.09 0.00 0.00 178.44 180.04 3ag3 h TYR 45 N 0.70 0.95 0.00 1.13 3.20 -0.75 -0.90 116.97 121.30 3ag3 h TYR 45 Ca 0.13 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3ag3 h TYR 45 Cb 0.54 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3ag3 h TYR 45 CO 0.04 0.74 -0.35 0.66 -1.64 0.00 0.00 178.16 177.61 3ag3 h SER 46 N 0.92 0.00 -0.24 -2.11 4.64 0.09 -1.09 113.55 115.76 3ag3 h SER 46 Ca 0.21 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 3ag3 h SER 46 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ag3 h SER 46 CO -0.02 0.35 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.77 3ag3 h LEU 47 N 0.00 0.81 -0.47 5.97 3.38 -0.67 -0.03 115.31 124.30 3ag3 h LEU 47 Ca -0.00 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.49 3ag3 h LEU 47 Cb 0.68 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3ag3 h LEU 47 CO 0.05 1.20 0.16 0.22 0.09 0.00 0.00 178.44 180.16 3ag3 h TYR 48 N 0.45 0.28 -0.32 1.13 3.20 -0.89 -1.19 116.97 119.63 3ag3 h TYR 48 Ca 0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3ag3 h TYR 48 Cb 1.06 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3ag3 h TYR 48 CO 0.08 0.09 0.01 0.00 -1.64 0.00 0.00 178.16 176.71 3ag3 h LEU 50 N 0.47 0.81 -0.49 0.00 6.46 -0.65 0.29 115.31 122.20 3ag3 h LEU 50 Ca 0.11 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.54 3ag3 h LEU 50 Cb 0.29 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 3ag3 h LEU 50 CO 0.01 0.99 0.25 1.23 -0.62 0.00 0.00 178.44 180.30 3ag3 h GLY 51 N 0.62 0.69 0.77 3.75 0.00 -0.71 0.11 103.07 108.30 3ag3 h GLY 51 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ag3 h GLY 51 CO 0.04 0.11 -0.03 -0.25 0.00 0.00 0.00 176.54 176.41 3ag3 h TRP 52 N 0.49 -0.08 0.00 5.60 7.01 -0.93 -2.93 115.95 125.10 3ag3 h TRP 52 Ca 0.22 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.22 3ag3 h TRP 52 Cb 0.13 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 3ag3 h TRP 52 CO -0.10 0.16 0.00 0.00 -2.79 0.00 0.00 178.44 175.71 3ag3 n ALA 53 N -2.25 1.75 0.51 2.65 0.00 0.07 -3.36 120.51 119.87 3ag3 n ALA 53 Ca -0.08 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.47 3ag3 n ALA 53 Cb 0.16 -1.31 0.46 0.00 0.00 0.00 0.00 19.45 18.75 3ag3 n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ag3 n SER 54 N -1.76 0.71 -4.31 0.00 7.64 0.36 -4.81 113.62 111.45 3ag3 n SER 54 Ca 0.03 0.62 -0.28 0.00 1.01 0.00 0.00 58.87 60.26 3ag3 n SER 54 Cb 0.21 -0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 62.48 3ag3 n SER 54 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ag3 s PHE 55 N -3.22 2.08 0.30 1.43 0.08 -1.21 -5.11 117.98 112.34 3ag3 s PHE 55 Ca 0.07 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 3ag3 s PHE 55 Cb 0.11 -1.23 -0.10 0.00 -0.57 0.00 0.00 43.02 41.23 3ag3 s PHE 55 CO 0.48 0.14 1.42 -1.25 -0.10 0.00 0.00 175.22 175.91 3ag3 s PRO 56 N -1.33 4.25 -0.02 0.24 0.04 -1.26 -4.94 135.00 131.97 3ag3 s PRO 56 Ca 0.10 2.35 0.14 0.00 0.04 0.00 0.00 61.00 63.64 3ag3 s PRO 56 Cb -0.09 -3.06 0.43 0.00 0.04 0.00 0.00 34.50 31.81 3ag3 s PRO 56 CO 0.02 -0.39 1.36 0.72 0.04 0.00 0.00 177.00 178.75 3ag3 n HIS 57 N 1.48 0.69 -0.45 0.56 8.25 -1.26 -5.16 115.22 119.32 3ag3 n HIS 57 Ca 0.04 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3ag3 n HIS 57 Cb 0.40 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3ag3 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61