#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s GLU 2 N 0.00 2.39 -0.61 -1.08 2.02 -1.26 -5.09 118.70 115.07 3ag1 s GLU 2 Ca 0.00 -1.43 -0.22 0.00 0.02 0.00 0.00 54.97 53.34 3ag1 s GLU 2 Cb 0.00 -2.20 0.07 0.00 0.10 0.00 0.00 34.13 32.09 3ag1 s GLU 2 CO 0.00 0.27 0.89 1.21 0.02 0.00 0.00 175.26 177.65 3ag1 s ASN 3 N -3.75 6.22 -0.14 -0.19 3.84 -1.26 -4.87 114.94 114.79 3ag1 s ASN 3 Ca 0.34 -0.89 0.18 0.00 0.21 0.00 0.00 52.86 52.70 3ag1 s ASN 3 Cb -0.05 -2.39 0.74 0.00 -0.55 0.00 0.00 41.25 39.00 3ag1 s ASN 3 CO 0.21 -1.29 1.66 0.54 -2.79 0.00 0.00 177.10 175.43 3ag1 n ARG 4 N 7.30 3.96 -0.15 0.43 5.12 -1.26 -4.65 116.66 127.40 3ag1 n ARG 4 Ca -0.04 -2.95 -0.07 0.00 -1.93 0.00 0.00 57.85 52.86 3ag1 n ARG 4 Cb 0.45 -1.96 0.02 0.00 -1.16 0.00 0.00 32.46 29.81 3ag1 n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3ag1 h VAL 5 N 4.07 1.09 -1.02 1.55 2.07 -2.00 -2.63 116.25 119.37 3ag1 h VAL 5 Ca 0.00 -0.21 0.27 0.00 0.82 0.00 0.00 66.70 67.58 3ag1 h VAL 5 Cb 1.56 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.64 3ag1 h VAL 5 CO 0.28 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.60 3ag1 h ALA 6 N 1.18 1.94 -0.22 1.67 0.00 -2.00 0.98 119.26 122.82 3ag1 h ALA 6 Ca 0.18 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 6 Cb -0.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ag1 h ALA 6 CO -0.05 -0.43 -0.62 0.93 0.00 0.00 0.00 179.25 179.07 3ag1 h GLU 7 N 0.48 0.75 -0.03 0.00 5.08 -1.83 -2.31 114.58 116.71 3ag1 h GLU 7 Ca 0.66 -0.52 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3ag1 h GLU 7 Cb 1.41 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3ag1 h GLU 7 CO -0.46 1.14 -0.60 0.87 -1.00 0.00 0.00 179.01 178.96 3ag1 h LYS 8 N 0.55 0.11 -0.79 2.33 1.79 -1.10 -1.06 116.57 118.41 3ag1 h LYS 8 Ca -0.01 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3ag1 h LYS 8 Cb 1.22 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 3ag1 h LYS 8 CO 0.13 0.68 0.52 1.96 -1.08 0.00 0.00 179.45 181.66 3ag1 h GLN 9 N 0.09 1.03 -0.07 3.15 4.20 -0.72 -0.19 115.11 122.60 3ag1 h GLN 9 Ca -0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3ag1 h GLN 9 Cb 1.07 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3ag1 h GLN 9 CO 0.08 0.68 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.58 3ag1 h LYS 10 N 1.06 0.20 -0.57 1.46 3.64 -1.03 0.37 116.57 121.71 3ag1 h LYS 10 Ca 0.29 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3ag1 h LYS 10 Cb -0.11 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3ag1 h LYS 10 CO -0.07 0.71 0.23 1.25 -2.27 0.00 0.00 179.45 179.30 3ag1 h LEU 11 N -0.28 0.27 0.00 5.20 5.85 -1.09 -2.79 115.31 122.48 3ag1 h LEU 11 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ag1 h LEU 11 Cb 0.70 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3ag1 h LEU 11 CO 0.03 0.17 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.74 3ag1 h PHE 12 N 0.43 0.00 -0.36 1.25 -1.00 -0.80 -2.92 116.94 113.55 3ag1 h PHE 12 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 3ag1 h PHE 12 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3ag1 h PHE 12 CO -0.15 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 177.59 3ag1 n GLN 13 N -2.47 1.92 -1.80 1.51 6.02 0.10 -4.97 117.38 117.70 3ag1 n GLN 13 Ca 0.04 -1.43 -0.41 0.00 -0.01 0.00 0.00 57.00 55.19 3ag1 n GLN 13 Cb 0.47 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 3ag1 n GLN 13 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ag1 s GLU 14 N -1.53 4.13 -1.13 -1.09 2.02 -1.07 -4.86 118.70 115.17 3ag1 s GLU 14 Ca 0.29 2.55 -0.07 0.00 0.02 0.00 0.00 54.97 57.76 3ag1 s GLU 14 Cb 0.15 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 31.27 3ag1 s GLU 14 CO 0.21 -0.61 2.55 -3.47 0.02 0.00 0.00 175.26 173.95 3ag1 n ASP 15 N 2.15 6.48 -0.66 -0.19 4.64 -1.26 -4.41 116.55 123.30 3ag1 n ASP 15 Ca 0.08 -2.42 0.06 0.00 -1.38 0.00 0.00 54.79 51.13 3ag1 n ASP 15 Cb 0.38 -1.29 0.13 0.00 -1.04 0.00 0.00 41.12 39.30 3ag1 n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ag1 n ASN 16 N 3.79 2.73 0.00 1.67 0.23 -1.26 -4.98 115.26 117.43 3ag1 n ASN 16 Ca 0.58 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 3ag1 n ASN 16 Cb 0.23 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3ag1 n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ag1 n GLY 17 N 0.69 0.03 3.77 4.83 0.00 -1.26 -4.99 105.19 108.26 3ag1 n GLY 17 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3ag1 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 18 N 0.00 4.33 0.80 0.99 1.43 -1.26 -5.06 118.68 119.91 3ag1 s LEU 18 Ca 0.00 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 3ag1 s LEU 18 Cb 0.00 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.38 3ag1 s LEU 18 CO 0.00 -0.38 1.10 -2.16 0.23 0.00 0.00 176.35 175.14 3ag1 s PRO 19 N -2.01 2.04 0.33 1.29 0.04 -1.26 -4.80 135.00 130.64 3ag1 s PRO 19 Ca 0.52 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.19 3ag1 s PRO 19 Cb -0.28 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 32.92 3ag1 s PRO 19 CO 0.36 -1.65 1.99 -0.24 0.04 0.00 0.00 177.00 177.50 3ag1 h VAL 20 N -1.11 1.18 0.00 -0.36 3.04 -1.98 -1.53 116.25 115.49 3ag1 h VAL 20 Ca -0.47 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3ag1 h VAL 20 Cb 1.27 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3ag1 h VAL 20 CO 0.59 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 177.33 3ag1 n HIS 21 N -4.42 0.00 -0.33 3.17 1.44 -1.26 -2.67 115.22 111.14 3ag1 n HIS 21 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 3ag1 n HIS 21 Cb 0.05 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.08 3ag1 n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3ag1 n LEU 22 N -1.07 0.58 0.00 2.39 4.77 -0.63 -4.76 117.00 118.27 3ag1 n LEU 22 Ca 0.17 -0.61 0.10 0.00 -0.03 0.00 0.00 56.01 55.64 3ag1 n LEU 22 Cb 0.11 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.70 3ag1 n LEU 22 CO 0.15 0.14 0.82 1.17 -1.33 0.00 0.00 177.39 178.35 3ag1 n LYS 23 N -0.06 0.21 -0.05 3.23 4.81 -0.85 -2.56 118.16 122.88 3ag1 n LYS 23 Ca 0.00 0.11 0.12 0.00 -0.87 0.00 0.00 58.31 57.67 3ag1 n LYS 23 Cb 0.08 -1.50 0.39 0.00 0.02 0.00 0.00 35.03 34.02 3ag1 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag1 n GLY 24 N 0.51 0.38 0.61 3.14 0.00 -1.26 -4.85 105.19 103.72 3ag1 n GLY 24 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3ag1 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 25 N 1.21 0.13 0.20 -0.02 0.00 -1.06 -4.74 105.19 100.91 3ag1 n GLY 25 Ca 0.17 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 3ag1 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 h ALA 26 N 0.00 0.54 -0.71 4.61 0.00 -1.96 -2.03 119.26 119.71 3ag1 h ALA 26 Ca 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 3ag1 h ALA 26 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3ag1 h ALA 26 CO 0.00 0.14 0.49 1.79 0.00 0.00 0.00 179.25 181.68 3ag1 h THR 27 N 0.53 0.73 -0.64 0.00 1.35 -1.98 -2.75 112.91 110.15 3ag1 h THR 27 Ca 0.14 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3ag1 h THR 27 Cb 0.19 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 3ag1 h THR 27 CO -0.01 0.04 0.38 0.44 -0.25 0.00 0.00 175.52 176.12 3ag1 h ASP 28 N 0.22 0.77 -0.35 5.36 3.32 -1.67 -1.20 116.42 122.87 3ag1 h ASP 28 Ca 0.35 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 3ag1 h ASP 28 Cb 1.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3ag1 h ASP 28 CO -0.07 0.60 -0.28 0.78 -1.72 0.00 0.00 179.24 178.55 3ag1 h ASN 29 N 0.86 0.91 -0.07 6.45 2.35 -1.57 0.13 115.58 124.65 3ag1 h ASN 29 Ca 0.23 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3ag1 h ASN 29 Cb -0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 3ag1 h ASN 29 CO -0.04 1.12 -0.01 0.40 -1.65 0.00 0.00 177.43 177.25 3ag1 h ILE 30 N 0.74 1.28 -0.27 2.81 2.04 -1.41 -0.23 117.51 122.47 3ag1 h ILE 30 Ca 0.09 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.10 3ag1 h ILE 30 Cb 0.84 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3ag1 h ILE 30 CO 0.07 0.24 0.13 0.25 0.00 0.00 0.00 178.15 178.84 3ag1 h LEU 31 N -0.19 0.18 -0.32 1.44 5.85 -1.09 0.11 115.31 121.29 3ag1 h LEU 31 Ca 0.02 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3ag1 h LEU 31 Cb 0.39 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3ag1 h LEU 31 CO 0.01 0.14 0.01 0.22 -0.34 0.00 0.00 178.44 178.48 3ag1 h TYR 32 N 0.27 0.00 -0.21 1.25 3.20 -0.65 -1.58 116.97 119.26 3ag1 h TYR 32 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 3ag1 h TYR 32 Cb 0.05 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3ag1 h TYR 32 CO -0.10 -0.04 -0.44 0.00 -1.64 0.00 0.00 178.16 175.93 3ag1 h ARG 33 N 0.11 0.51 -0.23 1.82 3.08 -0.38 0.11 114.38 119.40 3ag1 h ARG 33 Ca 0.16 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ag1 h ARG 33 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ag1 h ARG 33 CO -0.25 0.86 0.14 0.28 -1.07 0.00 0.00 179.97 179.93 3ag1 h VAL 34 N 0.42 1.04 0.22 2.04 2.07 -0.63 -0.97 116.25 120.44 3ag1 h VAL 34 Ca 0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3ag1 h VAL 34 Cb 0.94 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3ag1 h VAL 34 CO 0.08 0.05 -0.10 0.74 0.02 0.00 0.00 177.57 178.36 3ag1 h THR 35 N 0.29 0.84 -0.95 2.57 2.02 -0.68 -1.49 112.91 115.52 3ag1 h THR 35 Ca 0.09 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 67.02 3ag1 h THR 35 Cb -0.02 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 3ag1 h THR 35 CO -0.03 0.07 0.61 -0.03 0.37 0.00 0.00 175.52 176.51 3ag1 h MET 36 N -0.45 1.01 -0.16 6.66 -1.53 -0.79 -1.15 114.93 118.52 3ag1 h MET 36 Ca -0.03 -0.06 -0.09 0.00 -3.44 0.00 0.00 59.70 56.08 3ag1 h MET 36 Cb 0.34 -0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 3ag1 h MET 36 CO 0.05 0.67 -0.23 1.15 0.14 0.00 0.00 176.91 178.69 3ag1 h THR 37 N 1.04 1.35 -0.38 -0.77 2.02 -0.83 -1.06 112.91 114.29 3ag1 h THR 37 Ca 0.42 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3ag1 h THR 37 Cb 0.27 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3ag1 h THR 37 CO -0.18 0.43 0.22 -0.07 0.37 0.00 0.00 175.52 176.30 3ag1 h LEU 38 N 0.07 0.46 -0.14 2.58 3.38 -1.08 0.39 115.31 120.99 3ag1 h LEU 38 Ca 0.02 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3ag1 h LEU 38 Cb 0.80 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3ag1 h LEU 38 CO 0.05 0.40 -0.27 0.00 0.09 0.00 0.00 178.44 178.71 3ag1 h LEU 40 N -0.34 -0.13 -0.55 0.00 3.38 -1.08 -0.40 115.31 116.20 3ag1 h LEU 40 Ca 0.10 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.84 3ag1 h LEU 40 Cb 0.49 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 3ag1 h LEU 40 CO -0.33 0.29 -0.18 1.23 0.09 0.00 0.00 178.44 179.55 3ag1 h GLY 41 N -0.57 0.30 1.43 0.83 0.00 -0.14 -0.94 103.07 103.99 3ag1 h GLY 41 Ca -0.02 0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 3ag1 h GLY 41 CO 0.03 -0.22 0.08 -1.33 0.00 0.00 0.00 176.54 175.10 3ag1 h GLY 42 N -0.04 0.77 1.07 4.60 0.00 0.18 0.49 103.07 110.14 3ag1 h GLY 42 Ca 0.26 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3ag1 h GLY 42 CO -0.59 0.42 -0.22 -0.84 0.00 0.00 0.00 176.54 175.32 3ag1 h THR 43 N 0.69 1.27 -0.07 4.70 2.02 -0.35 0.80 112.91 121.98 3ag1 h THR 43 Ca 0.15 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 3ag1 h THR 43 Cb 0.31 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3ag1 h THR 43 CO 0.00 0.47 0.02 -0.07 0.37 0.00 0.00 175.52 176.31 3ag1 h LEU 44 N 0.75 0.10 -0.82 2.58 3.38 -0.93 -0.36 115.31 120.01 3ag1 h LEU 44 Ca 0.10 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.03 3ag1 h LEU 44 Cb 0.79 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 3ag1 h LEU 44 CO 0.07 0.29 -0.07 0.22 0.09 0.00 0.00 178.44 179.03 3ag1 h TYR 45 N -0.09 -0.20 -0.08 1.13 3.20 -0.76 -1.60 116.97 118.56 3ag1 h TYR 45 Ca 0.02 0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 3ag1 h TYR 45 Cb 0.23 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3ag1 h TYR 45 CO 0.00 -0.31 -0.59 0.66 -1.64 0.00 0.00 178.16 176.28 3ag1 h SER 46 N 0.05 0.30 -0.84 -2.11 4.64 -0.10 -1.34 113.55 114.14 3ag1 h SER 46 Ca 0.43 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3ag1 h SER 46 Cb 0.75 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 3ag1 h SER 46 CO -0.77 0.82 0.56 -0.07 -0.87 0.00 0.00 176.83 176.49 3ag1 h LEU 47 N 0.20 0.96 0.03 5.97 3.38 -0.56 -0.78 115.31 124.51 3ag1 h LEU 47 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ag1 h LEU 47 Cb 1.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ag1 h LEU 47 CO 0.09 0.69 -0.01 0.22 0.09 0.00 0.00 178.44 179.52 3ag1 h TYR 48 N 1.13 -0.04 -0.57 1.13 3.20 -0.92 -2.52 116.97 118.38 3ag1 h TYR 48 Ca 0.31 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.30 3ag1 h TYR 48 Cb -0.11 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3ag1 h TYR 48 CO -0.01 -0.02 0.39 0.00 -1.64 0.00 0.00 178.16 176.88 3ag1 h LEU 50 N 0.24 0.85 -0.92 0.00 6.46 -0.75 -1.83 115.31 119.37 3ag1 h LEU 50 Ca 0.27 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3ag1 h LEU 50 Cb 0.74 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 3ag1 h LEU 50 CO -0.06 0.76 0.32 1.23 -0.62 0.00 0.00 178.44 180.08 3ag1 h GLY 51 N 0.88 1.18 0.87 3.75 0.00 -0.88 -0.45 103.07 108.42 3ag1 h GLY 51 Ca 0.22 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3ag1 h GLY 51 CO -0.02 0.58 -0.13 -0.25 0.00 0.00 0.00 176.54 176.71 3ag1 h TRP 52 N 1.08 0.62 0.00 5.60 7.01 -1.37 -3.15 115.95 125.74 3ag1 h TRP 52 Ca 0.25 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 61.10 3ag1 h TRP 52 Cb 0.17 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3ag1 h TRP 52 CO 0.02 0.80 0.00 0.00 -2.79 0.00 0.00 178.44 176.47 3ag1 h ALA 53 N 0.72 1.00 0.00 2.65 0.00 -1.03 -3.11 119.26 119.50 3ag1 h ALA 53 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ag1 h ALA 53 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ag1 h ALA 53 CO 0.04 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.72 3ag1 n SER 54 N -2.71 0.55 -4.79 0.00 7.64 -0.20 -4.75 113.62 109.36 3ag1 n SER 54 Ca 0.02 0.59 -0.31 0.00 1.01 0.00 0.00 58.87 60.18 3ag1 n SER 54 Cb 0.34 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 3ag1 n SER 54 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ag1 s PHE 55 N -3.16 3.24 0.33 1.43 0.08 -1.18 -5.10 117.98 113.62 3ag1 s PHE 55 Ca 0.08 0.12 -0.28 0.00 0.12 0.00 0.00 56.93 56.97 3ag1 s PHE 55 Cb 0.12 -1.66 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 3ag1 s PHE 55 CO 0.47 0.53 1.15 -1.25 -0.10 0.00 0.00 175.22 176.02 3ag1 s PRO 56 N -2.27 4.42 -1.02 0.24 0.04 -1.26 -4.99 135.00 130.17 3ag1 s PRO 56 Ca 0.28 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 3ag1 s PRO 56 Cb -0.12 -3.00 0.26 0.00 0.04 0.00 0.00 34.50 31.67 3ag1 s PRO 56 CO 0.21 -0.01 1.01 0.72 0.04 0.00 0.00 177.00 178.97 3ag1 n HIS 57 N 0.77 4.62 0.00 0.56 8.25 -1.26 -5.15 115.22 123.00 3ag1 n HIS 57 Ca 0.01 -3.92 0.00 0.00 -0.26 0.00 0.00 57.72 53.55 3ag1 n HIS 57 Cb 0.45 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 30.14 3ag1 n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61