#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ej3 s PHE 2 N 0.00 3.15 -0.22 6.00 5.36 -1.26 -1.08 117.98 129.93 3ej3 s PHE 2 Ca 0.00 -1.94 -0.04 0.00 -0.96 0.00 0.00 56.93 53.99 3ej3 s PHE 2 Cb 0.00 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 3ej3 s PHE 2 CO 0.00 -0.82 -0.04 0.42 -1.46 0.00 0.00 175.22 173.33 3ej3 s ILE 3 N 1.22 3.44 -0.19 3.12 1.01 0.08 -5.00 121.20 124.87 3ej3 s ILE 3 Ca -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3ej3 s ILE 3 Cb -0.18 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3ej3 s ILE 3 CO -0.05 0.42 0.00 -1.61 0.00 0.00 0.00 174.94 173.70 3ej3 s GLU 4 N 1.47 3.66 -0.23 2.79 2.02 -1.26 -0.91 118.70 126.23 3ej3 s GLU 4 Ca 0.06 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 3ej3 s GLU 4 Cb -0.14 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.03 3ej3 s GLU 4 CO -0.03 0.07 -0.08 0.00 0.02 0.00 0.00 175.26 175.24 3ej3 s HIS 6 N 1.35 3.23 0.19 0.00 3.76 -1.26 -0.41 115.29 122.16 3ej3 s HIS 6 Ca 0.02 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 3ej3 s HIS 6 Cb -0.15 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 3ej3 s HIS 6 CO -0.06 -0.46 -0.02 0.96 -0.85 0.00 0.00 174.74 174.31 3ej3 s ILE 7 N 1.70 0.95 0.46 0.60 -4.36 -0.39 -5.00 121.20 115.16 3ej3 s ILE 7 Ca 0.05 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.19 3ej3 s ILE 7 Cb -0.18 -2.16 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 3ej3 s ILE 7 CO 0.10 -0.47 1.20 0.00 0.24 0.00 0.00 174.94 176.01 3ej3 s ALA 8 N -3.47 2.99 0.49 2.27 0.00 -1.26 -0.94 121.76 121.83 3ej3 s ALA 8 Ca 0.24 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 3ej3 s ALA 8 Cb 0.05 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3ej3 s ALA 8 CO 0.05 -0.74 1.11 0.95 0.00 0.00 0.00 175.76 177.13 3ej3 s THR 9 N -1.49 3.38 -0.21 0.00 -4.23 -0.96 -4.70 115.64 107.42 3ej3 s THR 9 Ca 0.64 0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 61.91 3ej3 s THR 9 Cb -0.31 -3.41 0.06 0.00 1.34 0.00 0.00 72.50 70.18 3ej3 s THR 9 CO 0.37 -0.12 0.54 -0.83 -0.54 0.00 0.00 174.62 174.05 3ej3 s GLY 10 N -1.69 -0.44 0.01 3.99 0.00 -1.26 -4.96 107.32 102.97 3ej3 s GLY 10 Ca 0.67 1.72 -0.00 0.00 0.00 0.00 0.00 44.72 47.11 3ej3 s GLY 10 CO 0.27 1.63 0.01 1.04 0.00 0.00 0.00 173.10 176.04 3ej3 n LEU 11 N 3.43 -4.02 -4.83 0.66 4.77 -1.26 -5.13 117.00 110.62 3ej3 n LEU 11 Ca -0.17 2.11 -0.31 0.00 -0.03 0.00 0.00 56.01 57.61 3ej3 n LEU 11 Cb 0.56 -2.56 0.05 0.00 -2.33 0.00 0.00 43.42 39.15 3ej3 n LEU 11 CO 0.06 -2.42 0.71 -0.94 -1.33 0.00 0.00 177.39 173.48 3ej3 s SER 12 N -0.36 5.36 0.27 -1.43 1.04 -1.26 -4.87 113.70 112.45 3ej3 s SER 12 Ca -0.01 1.50 -0.01 0.00 0.48 0.00 0.00 55.95 57.92 3ej3 s SER 12 Cb 0.00 -2.38 0.51 0.00 0.10 0.00 0.00 66.02 64.25 3ej3 s SER 12 CO 0.02 -1.44 1.81 1.62 0.98 0.00 0.00 173.24 176.22 3ej3 h VAL 13 N -0.72 0.87 -0.61 5.02 3.04 -2.00 -0.54 116.25 121.31 3ej3 h VAL 13 Ca -0.44 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 64.92 3ej3 h VAL 13 Cb 1.22 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 3ej3 h VAL 13 CO 0.58 0.15 0.24 0.00 -1.01 0.00 0.00 177.57 177.54 3ej3 h ALA 14 N 1.52 0.79 -0.43 3.17 0.00 -1.99 -0.58 119.26 121.74 3ej3 h ALA 14 Ca 0.47 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3ej3 h ALA 14 Cb 0.51 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ej3 h ALA 14 CO -0.29 0.40 -0.25 -0.09 0.00 0.00 0.00 179.25 179.02 3ej3 h ARG 15 N 0.84 0.91 -0.31 0.00 9.65 -1.79 -1.29 114.38 122.40 3ej3 h ARG 15 Ca 0.20 -0.40 -0.05 0.00 -1.10 0.00 0.00 59.98 58.63 3ej3 h ARG 15 Cb 0.20 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3ej3 h ARG 15 CO -0.02 1.06 0.01 0.87 2.80 0.00 0.00 179.97 184.69 3ej3 h LYS 16 N 0.78 0.54 -0.86 0.20 1.57 -0.98 -0.02 116.57 117.80 3ej3 h LYS 16 Ca 0.10 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3ej3 h LYS 16 Cb 0.82 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 3ej3 h LYS 16 CO 0.07 0.67 0.53 1.96 -0.57 0.00 0.00 179.45 182.12 3ej3 h GLN 17 N 0.34 0.94 -0.55 3.15 4.20 -0.97 -0.79 115.11 121.43 3ej3 h GLN 17 Ca 0.09 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3ej3 h GLN 17 Cb 0.43 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ej3 h GLN 17 CO 0.01 0.62 0.09 0.37 -0.67 0.00 0.00 178.83 179.26 3ej3 h GLN 18 N 0.97 0.92 -0.56 1.46 5.75 -0.97 -2.14 115.11 120.53 3ej3 h GLN 18 Ca 0.37 -0.24 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 3ej3 h GLN 18 Cb 0.17 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 3ej3 h GLN 18 CO -0.17 0.88 0.22 1.25 -2.65 0.00 0.00 178.83 178.36 3ej3 h LEU 19 N 0.81 0.24 -0.50 -2.39 5.85 -0.45 0.16 115.31 119.03 3ej3 h LEU 19 Ca 0.17 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3ej3 h LEU 19 Cb 0.41 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ej3 h LEU 19 CO 0.01 0.16 0.26 0.40 -0.34 0.00 0.00 178.44 178.93 3ej3 h ILE 20 N 0.41 1.18 -0.44 4.05 2.04 -0.90 0.92 117.51 124.76 3ej3 h ILE 20 Ca 0.27 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3ej3 h ILE 20 Cb 0.30 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3ej3 h ILE 20 CO -0.26 0.19 0.22 0.03 0.00 0.00 0.00 178.15 178.33 3ej3 h ARG 21 N 0.66 0.42 -0.66 2.37 3.08 -0.95 -1.24 114.38 118.06 3ej3 h ARG 21 Ca 0.17 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3ej3 h ARG 21 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3ej3 h ARG 21 CO -0.03 0.28 0.31 -0.44 -1.07 0.00 0.00 179.97 179.03 3ej3 h ASP 22 N 0.43 0.87 -0.49 7.04 3.45 -0.65 -0.11 116.42 126.95 3ej3 h ASP 22 Ca 0.19 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 3ej3 h ASP 22 Cb 0.11 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 3ej3 h ASP 22 CO -0.14 0.76 0.29 0.58 -1.57 0.00 0.00 179.24 179.15 3ej3 h VAL 23 N 0.91 1.16 -0.21 -1.35 2.07 -0.36 -1.35 116.25 117.12 3ej3 h VAL 23 Ca 0.23 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ej3 h VAL 23 Cb 0.12 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3ej3 h VAL 23 CO -0.03 0.17 0.14 0.40 0.02 0.00 0.00 177.57 178.26 3ej3 h ILE 24 N 0.66 1.07 -0.08 4.57 2.04 -0.92 -1.26 117.51 123.59 3ej3 h ILE 24 Ca 0.18 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3ej3 h ILE 24 Cb 0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3ej3 h ILE 24 CO -0.03 0.07 -0.05 -0.78 0.00 0.00 0.00 178.15 177.36 3ej3 h ASP 25 N 0.27 -0.16 -0.50 1.72 1.82 -0.86 -0.64 116.42 118.07 3ej3 h ASP 25 Ca 0.08 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 3ej3 h ASP 25 Cb -0.01 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 3ej3 h ASP 25 CO -0.02 -0.07 0.15 0.58 -1.61 0.00 0.00 179.24 178.27 3ej3 h VAL 26 N -0.05 1.22 -0.32 2.25 2.07 -1.19 0.16 116.25 120.39 3ej3 h VAL 26 Ca 0.05 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 3ej3 h VAL 26 Cb 0.13 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3ej3 h VAL 26 CO -0.12 0.30 -0.16 0.74 0.02 0.00 0.00 177.57 178.35 3ej3 h THR 27 N 0.82 1.29 -0.09 2.57 2.02 -0.91 0.82 112.91 119.43 3ej3 h THR 27 Ca 0.18 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3ej3 h THR 27 Cb 0.27 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3ej3 h THR 27 CO -0.00 0.41 0.06 -1.13 0.37 0.00 0.00 175.52 175.22 3ej3 h ASN 28 N 0.44 0.10 0.15 4.18 -0.73 -0.87 -1.26 115.58 117.58 3ej3 h ASN 28 Ca 0.07 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3ej3 h ASN 28 Cb 0.69 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.26 3ej3 h ASN 28 CO 0.05 0.08 -0.07 0.11 -0.37 0.00 0.00 177.43 177.23 3ej3 h LYS 29 N 0.11 -0.19 -0.11 6.67 6.56 -0.89 0.49 116.57 129.22 3ej3 h LYS 29 Ca 0.03 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.59 3ej3 h LYS 29 Cb -0.01 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 3ej3 h LYS 29 CO -0.01 -0.06 -0.10 0.66 -2.06 0.00 0.00 179.45 177.89 3ej3 h SER 30 N -0.28 0.27 -0.01 0.86 4.64 -0.83 -3.36 113.55 114.84 3ej3 h SER 30 Ca -0.02 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3ej3 h SER 30 Cb 0.22 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ej3 h SER 30 CO 0.03 0.68 -0.02 2.30 -0.87 0.00 0.00 176.83 178.96 3ej3 n ILE 31 N -4.65 0.00 -0.99 0.95 -5.35 -0.48 -5.02 119.36 103.81 3ej3 n ILE 31 Ca -0.07 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3ej3 n ILE 31 Cb 0.32 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3ej3 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ej3 n GLY 32 N 0.45 0.63 3.71 3.28 0.00 0.17 -5.00 105.19 108.43 3ej3 n GLY 32 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ej3 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ej3 s SER 33 N -2.31 6.44 0.29 1.61 0.01 -1.25 -4.96 113.70 113.54 3ej3 s SER 33 Ca 0.00 2.76 -0.30 0.00 1.31 0.00 0.00 55.95 59.72 3ej3 s SER 33 Cb 0.00 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 3ej3 s SER 33 CO 0.00 -0.95 1.61 -0.67 0.41 0.00 0.00 173.24 173.63 3ej3 n ASP 34 N 4.70 3.88 0.01 2.44 2.03 -1.26 -4.18 116.55 124.17 3ej3 n ASP 34 Ca 0.16 1.14 0.23 0.00 0.52 0.00 0.00 54.79 56.84 3ej3 n ASP 34 Cb 0.37 -1.60 0.69 0.00 -0.72 0.00 0.00 41.12 39.86 3ej3 n ASP 34 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ej3 h PRO 35 N 4.88 0.00 0.00 -0.67 0.11 -1.93 -0.31 132.00 134.09 3ej3 h PRO 35 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ej3 h PRO 35 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ej3 h PRO 35 CO 0.80 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.95 3ej3 n LYS 36 N -3.64 0.36 -0.08 1.05 2.85 -1.26 -2.12 118.16 115.31 3ej3 n LYS 36 Ca 0.11 0.06 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 3ej3 n LYS 36 Cb 0.83 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.81 3ej3 n LYS 36 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 3ej3 n ILE 37 N -1.27 1.54 -3.78 0.58 -5.35 -0.13 -5.00 119.36 105.95 3ej3 n ILE 37 Ca 0.12 -1.70 -0.35 0.00 -0.27 0.00 0.00 62.75 60.54 3ej3 n ILE 37 Cb 0.19 0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.07 3ej3 n ILE 37 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ej3 s ILE 38 N -2.08 5.26 -0.05 7.28 1.01 -0.90 -1.97 121.20 129.75 3ej3 s ILE 38 Ca 0.20 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.04 3ej3 s ILE 38 Cb 0.17 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 3ej3 s ILE 38 CO 0.03 0.43 -0.21 0.20 0.00 0.00 0.00 174.94 175.39 3ej3 s ASN 39 N 0.48 2.57 -0.03 3.58 0.01 -0.24 -4.99 114.94 116.32 3ej3 s ASN 39 Ca 0.07 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 3ej3 s ASN 39 Cb -0.12 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 40.78 3ej3 s ASN 39 CO -0.01 0.18 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.98 3ej3 s VAL 40 N 0.01 0.90 -0.11 1.60 1.01 -1.26 -0.74 120.40 121.80 3ej3 s VAL 40 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3ej3 s VAL 40 Cb -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3ej3 s VAL 40 CO 0.03 0.28 -0.12 -0.22 0.00 0.00 0.00 175.10 175.07 3ej3 s LEU 41 N 0.21 1.50 -0.19 3.92 2.96 -0.09 -4.98 118.68 122.02 3ej3 s LEU 41 Ca -0.04 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 3ej3 s LEU 41 Cb -0.10 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3ej3 s LEU 41 CO 0.01 -0.04 0.11 -0.76 -1.32 0.00 0.00 176.35 174.35 3ej3 s LEU 42 N 1.27 4.12 -0.04 -0.68 1.02 -1.26 -0.61 118.68 122.50 3ej3 s LEU 42 Ca -0.02 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.36 3ej3 s LEU 42 Cb -0.14 -2.05 0.01 0.00 0.02 0.00 0.00 46.19 44.03 3ej3 s LEU 42 CO -0.04 0.20 -0.09 0.54 0.02 0.00 0.00 176.35 176.98 3ej3 s VAL 43 N 0.25 0.80 -0.08 -1.59 0.11 0.46 -4.95 120.40 115.39 3ej3 s VAL 43 Ca 0.07 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.80 3ej3 s VAL 43 Cb -0.11 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3ej3 s VAL 43 CO -0.01 0.27 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.37 3ej3 s GLU 44 N 0.51 2.90 0.06 1.54 2.02 -1.26 -1.26 118.70 123.21 3ej3 s GLU 44 Ca -0.08 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.44 3ej3 s GLU 44 Cb -0.12 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3ej3 s GLU 44 CO 0.01 0.64 -0.10 -1.01 0.02 0.00 0.00 175.26 174.82 3ej3 s HIS 45 N -0.74 0.91 0.40 1.61 3.76 -0.12 -4.82 115.29 116.29 3ej3 s HIS 45 Ca 0.11 -0.50 -0.27 0.00 -0.15 0.00 0.00 55.06 54.25 3ej3 s HIS 45 Cb -0.11 -0.53 -0.10 0.00 1.11 0.00 0.00 32.58 32.95 3ej3 s HIS 45 CO 0.02 -0.02 1.44 0.00 -0.85 0.00 0.00 174.74 175.33 3ej3 s ALA 46 N -1.44 3.44 0.44 -1.40 0.00 -1.26 -2.27 121.76 119.28 3ej3 s ALA 46 Ca -0.06 1.50 0.13 0.00 0.00 0.00 0.00 51.96 53.53 3ej3 s ALA 46 Cb -0.09 -3.59 1.02 0.00 0.00 0.00 0.00 23.12 20.46 3ej3 s ALA 46 CO 0.01 -1.06 2.01 0.93 0.00 0.00 0.00 175.76 177.66 3ej3 h GLU 47 N 2.79 0.39 0.00 0.00 4.39 -1.94 0.34 114.58 120.55 3ej3 h GLU 47 Ca -0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3ej3 h GLU 47 Cb 1.25 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3ej3 h GLU 47 CO 0.63 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 178.74 3ej3 n ALA 48 N -2.51 1.46 1.09 3.43 0.00 -1.26 -2.32 120.51 120.39 3ej3 n ALA 48 Ca 0.07 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3ej3 n ALA 48 Cb 0.28 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.60 3ej3 n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ej3 n ASN 49 N -1.89 1.45 -4.36 0.00 4.13 0.11 -4.92 115.26 109.78 3ej3 n ASN 49 Ca 0.02 -1.15 -0.32 0.00 1.68 0.00 0.00 54.58 54.81 3ej3 n ASN 49 Cb 0.14 0.40 -0.15 0.00 -1.54 0.00 0.00 39.78 38.63 3ej3 n ASN 49 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3ej3 s MET 50 N -2.58 2.95 -0.12 3.52 -1.94 -0.98 -5.03 119.30 115.12 3ej3 s MET 50 Ca 0.19 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 3ej3 s MET 50 Cb 0.18 -2.43 0.03 0.00 2.01 0.00 0.00 34.83 34.62 3ej3 s MET 50 CO 0.60 0.35 -0.05 0.45 -0.01 0.00 0.00 175.02 176.36 3ej3 s SER 51 N -0.04 2.18 -0.16 3.03 0.15 -1.26 -4.54 113.70 113.06 3ej3 s SER 51 Ca -0.05 -0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 3ej3 s SER 51 Cb -0.14 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 3ej3 s SER 51 CO 0.04 -0.16 0.06 -0.63 1.20 0.00 0.00 173.24 173.76 3ej3 s ILE 52 N 1.77 4.80 -1.42 6.45 -1.09 -1.26 -4.61 121.20 125.84 3ej3 s ILE 52 Ca 0.04 -0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.33 3ej3 s ILE 52 Cb -0.13 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3ej3 s ILE 52 CO -0.07 0.50 0.99 -1.20 -1.23 0.00 0.00 174.94 173.93 3ej3 n SER 53 N 3.13 -4.36 -0.66 3.58 7.64 -1.26 -1.67 113.62 120.03 3ej3 n SER 53 Ca -0.17 -0.71 -0.09 0.00 1.01 0.00 0.00 58.87 58.91 3ej3 n SER 53 Cb 0.53 -4.34 -0.04 0.00 -1.01 0.00 0.00 64.21 59.35 3ej3 n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ej3 n GLY 54 N -1.72 0.91 3.76 0.23 0.00 -1.26 -4.97 105.19 102.14 3ej3 n GLY 54 Ca -0.06 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3ej3 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ej3 s ARG 55 N -2.54 4.59 -0.27 1.61 0.52 -0.67 -5.05 118.95 117.13 3ej3 s ARG 55 Ca 0.00 1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 56.32 3ej3 s ARG 55 Cb 0.00 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 3ej3 s ARG 55 CO 0.00 0.44 0.10 0.42 0.02 0.00 0.00 175.30 176.28 3ej3 s ILE 56 N -0.69 4.40 -0.01 1.52 1.09 -1.26 -4.21 121.20 122.04 3ej3 s ILE 56 Ca 0.38 -0.28 -0.30 0.00 -1.10 0.00 0.00 60.65 59.35 3ej3 s ILE 56 Cb -0.23 -3.14 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 3ej3 s ILE 56 CO 0.26 0.23 1.38 -2.28 -0.10 0.00 0.00 174.94 174.43 3ej3 s HIS 57 N 1.61 2.88 0.00 3.97 5.65 -1.26 -5.16 115.29 122.97 3ej3 s HIS 57 Ca 0.06 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.23 3ej3 s HIS 57 Cb -0.16 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.61 3ej3 s HIS 57 CO 0.05 -2.30 0.00 0.41 -0.65 0.00 0.00 174.74 172.24