#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekz s ASP 2 N 0.00 4.06 0.00 6.12 -1.08 -1.26 -4.95 116.67 119.56 1ekz s ASP 2 Ca 0.00 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 1ekz s ASP 2 Cb 0.00 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.46 1ekz s ASP 2 CO 0.00 -2.17 0.00 1.21 0.52 0.00 0.00 175.17 174.73 1ekz n GLU 3 N -3.47 0.00 0.00 4.34 0.00 -1.26 -5.12 120.64 115.14 1ekz n GLU 3 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1ekz n GLU 3 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1ekz n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ekz n GLY 4 N -0.56 1.25 3.76 8.31 0.00 -1.26 -5.07 105.19 111.61 1ekz n GLY 4 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1ekz n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ekz s ASP 5 N 0.00 4.28 -0.64 1.61 1.11 -1.26 -4.09 116.67 117.67 1ekz s ASP 5 Ca 0.00 1.77 -0.17 0.00 0.18 0.00 0.00 52.55 54.32 1ekz s ASP 5 Cb 0.00 -2.46 0.02 0.00 1.07 0.00 0.00 42.92 41.56 1ekz s ASP 5 CO 0.00 -2.17 0.37 0.29 1.18 0.00 0.00 175.17 174.84 1ekz n LYS 6 N -3.61 -0.61 -2.19 8.23 5.02 -1.26 -4.73 118.16 119.01 1ekz n LYS 6 Ca 0.09 -0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 55.93 1ekz n LYS 6 Cb 0.53 -0.95 -0.05 0.00 -0.02 0.00 0.00 35.03 34.55 1ekz n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ekz s LYS 7 N -6.05 2.85 -0.63 1.97 1.02 -1.26 -4.87 119.74 112.78 1ekz s LYS 7 Ca 0.24 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 1ekz s LYS 7 Cb -0.13 -5.20 0.16 0.00 -0.52 0.00 0.00 37.83 32.13 1ekz s LYS 7 CO 0.53 -3.24 0.43 0.45 -0.92 0.00 0.00 175.35 172.60 1ekz s SER 8 N 6.76 5.04 0.00 2.83 0.15 -1.26 -4.96 113.70 122.25 1ekz s SER 8 Ca 0.64 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 54.26 1ekz s SER 8 Cb -0.03 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1ekz s SER 8 CO 0.02 -0.30 0.00 -0.81 1.20 0.00 0.00 173.24 173.35 1ekz n PRO 9 N 3.20 0.00 -0.00 5.44 -0.04 -1.26 -4.78 135.00 137.56 1ekz n PRO 9 Ca 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1ekz n PRO 9 Cb 0.36 -0.03 -0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1ekz n PRO 9 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ekz n ILE 10 N -0.03 0.04 -0.18 0.52 2.08 -1.26 -4.44 119.36 116.09 1ekz n ILE 10 Ca 0.00 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.26 1ekz n ILE 10 Cb 0.00 -1.29 0.03 0.00 -0.75 0.00 0.00 39.64 37.63 1ekz n ILE 10 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1ekz h SER 11 N -0.02 -0.86 -0.49 4.38 4.64 -1.98 0.18 113.55 119.39 1ekz h SER 11 Ca -0.02 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1ekz h SER 11 Cb 1.02 0.47 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1ekz h SER 11 CO -0.01 -0.26 0.22 1.56 -0.87 0.00 0.00 176.83 177.47 1ekz h GLN 12 N -0.11 0.72 -1.00 4.77 1.08 -1.91 0.22 115.11 118.87 1ekz h GLN 12 Ca 0.25 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1ekz h GLN 12 Cb 0.50 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 1ekz h GLN 12 CO -0.62 0.62 0.65 -0.24 -0.95 0.00 0.00 178.83 178.29 1ekz h VAL 13 N 0.65 1.06 -0.35 -0.54 3.04 -1.30 -0.01 116.25 118.81 1ekz h VAL 13 Ca 0.17 -0.39 -0.13 0.00 -1.01 0.00 0.00 66.70 65.33 1ekz h VAL 13 Cb 0.15 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.24 1ekz h VAL 13 CO -0.02 0.21 -0.30 0.45 -1.01 0.00 0.00 177.57 176.91 1ekz h HIS 14 N 1.15 0.97 -0.59 3.17 3.86 -0.17 -2.58 115.15 120.95 1ekz h HIS 14 Ca 0.44 -0.28 0.11 0.00 -1.16 0.00 0.00 60.37 59.49 1ekz h HIS 14 Cb 0.22 -0.21 -0.09 0.00 1.06 0.00 0.00 27.41 28.39 1ekz h HIS 14 CO -0.00 1.06 0.10 1.49 0.86 0.00 0.00 177.93 181.44 1ekz h GLU 15 N 0.60 0.23 -0.08 2.45 4.22 0.12 0.52 114.58 122.63 1ekz h GLU 15 Ca 0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1ekz h GLU 15 Cb 0.87 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ekz h GLU 15 CO 0.08 0.15 0.04 0.82 -2.18 0.00 0.00 179.01 177.92 1ekz h ILE 16 N 0.23 1.07 0.17 2.32 1.08 -0.93 0.35 117.51 121.79 1ekz h ILE 16 Ca 0.31 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 1ekz h ILE 16 Cb 0.46 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1ekz h ILE 16 CO -0.41 0.06 -0.08 1.23 -0.69 0.00 0.00 178.15 178.26 1ekz h GLY 17 N 0.05 -0.23 0.78 5.37 0.00 -0.88 -2.24 103.07 105.92 1ekz h GLY 17 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1ekz h GLY 17 CO -0.00 -0.08 0.12 -2.22 0.00 0.00 0.00 176.54 174.35 1ekz h ILE 18 N -0.28 0.94 -1.00 2.60 1.08 0.12 1.21 117.51 122.18 1ekz h ILE 18 Ca -0.02 -0.09 0.20 0.00 -0.39 0.00 0.00 64.86 64.56 1ekz h ILE 18 Cb 0.22 0.65 -0.10 0.00 -3.07 0.00 0.00 36.82 34.51 1ekz h ILE 18 CO 0.04 0.05 0.61 0.50 -0.69 0.00 0.00 178.15 178.66 1ekz h LYS 19 N 0.26 0.66 -0.78 2.37 3.64 -0.10 0.35 116.57 122.97 1ekz h LYS 19 Ca 0.13 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 1ekz h LYS 19 Cb 0.09 -0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 31.62 1ekz h LYS 19 CO -0.13 0.44 0.29 0.54 -2.27 0.00 0.00 179.45 178.32 1ekz n ARG 20 N -4.73 3.58 -2.95 1.90 5.12 -0.66 -4.90 116.66 114.02 1ekz n ARG 20 Ca 0.23 -2.95 -0.19 0.00 -1.93 0.00 0.00 57.85 53.01 1ekz n ARG 20 Cb 0.63 -2.19 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 1ekz n ARG 20 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ekz n ASN 21 N -0.16 -4.23 -4.52 0.55 5.03 0.12 -4.93 115.26 107.12 1ekz n ASN 21 Ca 0.41 -0.15 -0.37 0.00 0.87 0.00 0.00 54.58 55.33 1ekz n ASN 21 Cb 1.37 -3.51 -0.12 0.00 -1.02 0.00 0.00 39.78 36.51 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1ekz s MET 22 N -5.59 3.80 0.09 3.52 -1.94 0.41 -4.91 119.30 114.68 1ekz s MET 22 Ca 0.23 -0.40 -0.31 0.00 -1.71 0.00 0.00 55.69 53.51 1ekz s MET 22 Cb -0.12 -3.49 -0.09 0.00 2.01 0.00 0.00 34.83 33.14 1ekz s MET 22 CO 0.28 -0.18 1.71 0.99 -0.01 0.00 0.00 175.02 177.81 1ekz s THR 23 N 1.68 2.88 -0.26 2.05 2.01 -1.26 -3.56 115.64 119.17 1ekz s THR 23 Ca 0.07 0.35 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 1ekz s THR 23 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1ekz s THR 23 CO 0.07 -0.00 0.08 -0.69 -0.69 0.00 0.00 174.62 173.39 1ekz s VAL 24 N 2.67 4.30 -0.08 3.82 1.01 -1.26 0.09 120.40 130.95 1ekz s VAL 24 Ca 0.76 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1ekz s VAL 24 Cb -0.42 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1ekz s VAL 24 CO 0.34 0.26 -0.09 -1.00 0.00 0.00 0.00 175.10 174.60 1ekz s HIS 25 N 1.60 1.35 -0.01 5.22 3.76 0.68 -4.96 115.29 122.93 1ekz s HIS 25 Ca 0.06 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1ekz s HIS 25 Cb -0.16 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1ekz s HIS 25 CO 0.04 -0.34 0.14 -0.06 -0.85 0.00 0.00 174.74 173.67 1ekz s PHE 26 N 1.06 3.45 -0.23 1.40 0.40 -1.26 0.10 117.98 122.90 1ekz s PHE 26 Ca -0.07 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 1ekz s PHE 26 Cb -0.14 -1.80 0.09 0.00 0.51 0.00 0.00 43.02 41.67 1ekz s PHE 26 CO -0.01 0.62 0.53 0.15 0.70 0.00 0.00 175.22 177.21 1ekz s LYS 27 N -1.81 0.48 0.45 0.44 1.02 0.11 -4.95 119.74 115.47 1ekz s LYS 27 Ca 0.25 1.12 -0.22 0.00 0.02 0.00 0.00 55.97 57.14 1ekz s LYS 27 Cb -0.12 0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 37.43 1ekz s LYS 27 CO 0.16 -0.20 1.04 0.08 -0.92 0.00 0.00 175.35 175.52 1ekz s VAL 28 N 2.18 3.76 -0.22 3.17 1.01 -1.26 0.47 120.40 129.51 1ekz s VAL 28 Ca -0.06 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 1ekz s VAL 28 Cb -0.10 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 1ekz s VAL 28 CO -0.16 -0.13 -0.06 0.18 0.00 0.00 0.00 175.10 174.93 1ekz n LEU 29 N -0.58 2.67 -3.63 3.92 4.77 0.89 -4.79 117.00 120.25 1ekz n LEU 29 Ca 0.07 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1ekz n LEU 29 Cb 0.51 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1ekz n LEU 29 CO 0.42 0.82 1.06 -0.60 -1.33 0.00 0.00 177.39 177.75 1ekz s ARG 30 N -2.52 0.20 -0.75 3.23 3.52 -1.23 -5.03 118.95 116.37 1ekz s ARG 30 Ca -0.32 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1ekz s ARG 30 Cb 0.09 0.09 0.26 0.00 -1.56 0.00 0.00 34.95 33.83 1ekz s ARG 30 CO 0.63 -0.06 0.91 -0.85 -0.81 0.00 0.00 175.30 175.12 1ekz n GLU 31 N 0.71 2.96 -2.42 5.12 0.00 -1.26 -2.39 120.64 123.36 1ekz n GLU 31 Ca -0.04 -4.64 -0.43 0.00 0.00 0.00 0.00 57.16 52.05 1ekz n GLU 31 Cb 0.58 -2.32 -0.02 0.00 0.00 0.00 0.00 31.44 29.68 1ekz n GLU 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1ekz s GLU 32 N -2.49 3.64 0.00 3.44 -1.05 -1.09 -4.81 118.70 116.34 1ekz s GLU 32 Ca 0.37 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 1ekz s GLU 32 Cb 0.11 -3.98 0.00 0.00 -0.44 0.00 0.00 34.13 29.82 1ekz s GLU 32 CO 0.01 -1.48 0.00 0.41 0.95 0.00 0.00 175.26 175.15 1ekz n GLY 33 N 4.95 -2.00 0.12 -3.83 0.00 -1.26 0.86 105.19 104.02 1ekz n GLY 33 Ca 0.15 0.95 -0.14 0.00 0.00 0.00 0.00 46.02 46.98 1ekz n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ekz h PRO 34 N 0.00 0.28 0.00 1.61 0.13 -1.88 -3.45 132.00 128.69 1ekz h PRO 34 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ekz h PRO 34 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1ekz h PRO 34 CO 0.00 1.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 1ekz n ALA 35 N -2.52 0.00 -2.60 -0.56 0.00 -1.26 -5.08 120.51 108.50 1ekz n ALA 35 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1ekz n ALA 35 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 1ekz n ALA 35 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ekz s HIS 36 N -1.33 2.67 -0.02 0.00 3.76 -1.26 -4.54 115.29 114.57 1ekz s HIS 36 Ca 0.00 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1ekz s HIS 36 Cb 0.00 -4.38 0.01 0.00 1.11 0.00 0.00 32.58 29.32 1ekz s HIS 36 CO 0.00 -1.50 0.03 -0.12 -0.85 0.00 0.00 174.74 172.30 1ekz n MET 37 N 8.12 -0.55 -4.22 1.40 0.00 -1.26 -4.97 117.12 115.64 1ekz n MET 37 Ca 0.07 0.86 -0.30 0.00 -0.00 0.00 0.00 57.70 58.32 1ekz n MET 37 Cb 0.49 -1.49 -0.17 0.00 0.00 0.00 0.00 33.22 32.05 1ekz n MET 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1ekz s LYS 38 N -0.96 2.34 0.23 2.12 -2.85 -1.26 -4.13 119.74 115.23 1ekz s LYS 38 Ca -0.04 -0.59 0.06 0.00 -1.00 0.00 0.00 55.97 54.41 1ekz s LYS 38 Cb 0.00 -2.07 -0.05 0.00 -2.06 0.00 0.00 37.83 33.65 1ekz s LYS 38 CO 0.10 -0.16 -0.09 -0.80 0.10 0.00 0.00 175.35 174.50 1ekz s ASN 39 N 1.26 2.50 -0.33 0.03 -0.87 0.25 -4.66 114.94 113.12 1ekz s ASN 39 Ca 0.00 -1.12 -0.01 0.00 -1.57 0.00 0.00 52.86 50.16 1ekz s ASN 39 Cb -0.14 -0.12 0.12 0.00 -0.02 0.00 0.00 41.25 41.09 1ekz s ASN 39 CO -0.07 -0.30 0.17 -0.36 -2.57 0.00 0.00 177.10 173.97 1ekz s PHE 40 N -3.07 0.83 -0.34 2.20 0.40 0.05 -2.69 117.98 115.36 1ekz s PHE 40 Ca 0.26 -1.44 -0.28 0.00 -0.60 0.00 0.00 56.93 54.87 1ekz s PHE 40 Cb 0.02 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.45 1ekz s PHE 40 CO 0.09 -0.83 1.01 0.42 0.70 0.00 0.00 175.22 176.61 1ekz s ILE 41 N 1.46 4.54 -0.14 0.64 1.01 -1.00 -2.02 121.20 125.69 1ekz s ILE 41 Ca 0.13 1.52 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 1ekz s ILE 41 Cb -0.20 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1ekz s ILE 41 CO -0.17 -0.49 -0.11 -0.89 0.00 0.00 0.00 174.94 173.28 1ekz s THR 42 N 3.57 3.28 0.36 2.92 2.01 -0.52 -0.08 115.64 127.19 1ekz s THR 42 Ca 0.42 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1ekz s THR 42 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1ekz s THR 42 CO 0.17 0.52 0.24 0.00 -0.69 0.00 0.00 174.62 174.85 1ekz s ALA 43 N 0.35 3.72 0.00 7.40 0.00 0.18 0.11 121.76 133.51 1ekz s ALA 43 Ca -0.09 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.79 1ekz s ALA 43 Cb -0.15 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.13 1ekz s ALA 43 CO 0.05 -0.03 0.65 0.00 0.00 0.00 0.00 175.76 176.42 1ekz s ILE 45 N -1.83 1.16 -0.25 0.00 2.07 0.11 -0.16 121.20 122.31 1ekz s ILE 45 Ca -0.08 -0.78 -0.02 0.00 -1.41 0.00 0.00 60.65 58.36 1ekz s ILE 45 Cb -0.00 -0.99 0.08 0.00 0.13 0.00 0.00 42.46 41.67 1ekz s ILE 45 CO 0.04 0.21 0.07 0.68 -1.91 0.00 0.00 174.94 174.03 1ekz s VAL 46 N -0.53 0.58 0.00 4.00 -7.23 0.12 -0.23 120.40 117.11 1ekz s VAL 46 Ca 0.04 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1ekz s VAL 46 Cb -0.06 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.62 1ekz s VAL 46 CO 0.00 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1ekz n GLY 47 N 5.00 0.86 0.57 2.32 0.00 0.11 -1.90 105.19 112.15 1ekz n GLY 47 Ca -0.06 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.47 1ekz n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ekz n SER 48 N 4.34 1.20 -4.06 1.61 3.41 -1.26 -4.69 113.62 114.17 1ekz n SER 48 Ca 0.00 -2.66 -0.22 0.00 -0.26 0.00 0.00 58.87 55.73 1ekz n SER 48 Cb 0.00 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.45 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ekz s ILE 49 N -1.43 1.01 0.03 -1.33 1.09 -0.80 -5.14 121.20 114.63 1ekz s ILE 49 Ca 0.23 -0.50 0.08 0.00 -1.10 0.00 0.00 60.65 59.35 1ekz s ILE 49 Cb 0.22 -0.88 -0.03 0.00 -1.06 0.00 0.00 42.46 40.72 1ekz s ILE 49 CO -0.03 0.30 -0.22 -0.69 -0.10 0.00 0.00 174.94 174.20 1ekz s VAL 50 N 0.03 2.50 -0.16 2.92 1.01 -1.26 0.13 120.40 125.57 1ekz s VAL 50 Ca -0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 1ekz s VAL 50 Cb -0.08 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1ekz s VAL 50 CO 0.01 0.40 0.62 -0.89 0.00 0.00 0.00 175.10 175.24 1ekz s THR 51 N -0.82 0.00 0.22 3.92 2.01 0.78 -4.99 115.64 116.76 1ekz s THR 51 Ca 0.13 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1ekz s THR 51 Cb -0.10 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1ekz s THR 51 CO 0.03 -0.02 0.01 -1.84 -0.69 0.00 0.00 174.62 172.11 1ekz n GLU 52 N 2.07 1.33 -3.58 4.92 0.00 -1.26 0.19 120.64 124.31 1ekz n GLU 52 Ca -0.16 -1.67 -0.10 0.00 0.00 0.00 0.00 57.16 55.23 1ekz n GLU 52 Cb 0.56 0.52 -0.10 0.00 0.00 0.00 0.00 31.44 32.42 1ekz n GLU 52 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ekz s GLY 53 N -2.25 -0.29 -1.37 -1.84 0.00 0.29 -4.50 107.32 97.36 1ekz s GLY 53 Ca 0.02 1.16 -0.16 0.00 0.00 0.00 0.00 44.72 45.74 1ekz s GLY 53 CO 0.01 2.35 2.07 1.18 0.00 0.00 0.00 173.10 178.71 1ekz n GLU 54 N 5.37 2.85 -1.47 2.90 4.71 -1.26 -1.43 120.64 132.30 1ekz n GLU 54 Ca -0.07 -2.74 -0.29 0.00 -0.01 0.00 0.00 57.16 54.05 1ekz n GLU 54 Cb 0.50 -3.34 0.17 0.00 -1.01 0.00 0.00 31.44 27.76 1ekz n GLU 54 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ekz s GLY 55 N 3.65 1.61 0.00 0.62 0.00 -0.86 -4.83 107.32 107.51 1ekz s GLY 55 Ca 0.50 -0.73 0.20 0.00 0.00 0.00 0.00 44.72 44.69 1ekz s GLY 55 CO -0.03 -0.06 1.40 -2.01 0.00 0.00 0.00 173.10 172.41 1ekz n ASN 56 N -4.03 3.50 0.00 1.64 2.85 -1.25 -0.77 115.26 117.20 1ekz n ASN 56 Ca 0.09 -1.97 0.00 0.00 -0.11 0.00 0.00 54.58 52.59 1ekz n ASN 56 Cb 0.59 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ekz n GLY 57 N 1.34 -0.30 0.38 8.20 0.00 -1.26 -4.54 105.19 109.01 1ekz n GLY 57 Ca 0.19 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.52 1ekz n GLY 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ekz h LYS 58 N 0.00 0.61 -6.25 1.61 2.10 -1.97 -3.35 116.57 109.32 1ekz h LYS 58 Ca 0.00 -0.04 -0.51 0.00 -2.00 0.00 0.00 60.65 58.11 1ekz h LYS 58 Cb 0.00 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 1ekz h LYS 58 CO 0.00 0.40 -0.28 0.21 -2.00 0.00 0.00 179.45 177.79 1ekz s LYS 59 N -5.67 2.44 0.00 0.07 2.20 -1.26 -4.55 119.74 112.97 1ekz s LYS 59 Ca -0.10 -1.66 0.00 0.00 -0.36 0.00 0.00 55.97 53.85 1ekz s LYS 59 Cb 0.23 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1ekz s LYS 59 CO 0.79 -0.48 0.00 0.28 -0.36 0.00 0.00 175.35 175.58 1ekz n VAL 60 N -1.81 0.00 0.02 4.02 0.31 -1.26 -3.86 118.33 115.75 1ekz n VAL 60 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1ekz n VAL 60 Cb 0.62 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1ekz n VAL 60 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ekz h SER 61 N 0.00 -0.05 -0.69 4.52 0.87 -1.83 1.23 113.55 117.60 1ekz h SER 61 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1ekz h SER 61 Cb 0.00 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1ekz h SER 61 CO 0.00 -0.03 0.46 0.11 -0.53 0.00 0.00 176.83 176.84 1ekz h LYS 62 N -0.05 0.80 0.20 2.24 1.57 -1.81 0.91 116.57 120.43 1ekz h LYS 62 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ekz h LYS 62 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ekz h LYS 62 CO 0.01 0.53 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.10 1ekz h LYS 63 N 0.82 -0.26 -1.00 3.15 3.64 -1.88 -2.91 116.57 118.14 1ekz h LYS 63 Ca 0.28 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.85 1ekz h LYS 63 Cb 0.08 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.86 1ekz h LYS 63 CO -0.08 -0.17 0.61 -0.09 -2.27 0.00 0.00 179.45 177.45 1ekz h ARG 64 N -0.70 0.80 0.02 1.90 2.43 0.16 0.52 114.38 119.51 1ekz h ARG 64 Ca -0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1ekz h ARG 64 Cb 0.20 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1ekz h ARG 64 CO 0.04 0.53 -0.12 0.00 -1.51 0.00 0.00 179.97 178.91 1ekz h ALA 65 N 1.62 -0.16 -0.38 2.80 0.00 -0.89 0.29 119.26 122.54 1ekz h ALA 65 Ca 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.31 1ekz h ALA 65 Cb 0.79 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ekz h ALA 65 CO -0.35 -0.62 -0.39 0.00 0.00 0.00 0.00 179.25 177.88 1ekz h ALA 66 N 0.72 0.57 -0.11 0.00 0.00 -1.03 -2.66 119.26 116.75 1ekz h ALA 66 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1ekz h ALA 66 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ekz h ALA 66 CO -0.11 0.68 -0.16 0.93 0.00 0.00 0.00 179.25 180.59 1ekz h GLU 67 N 0.77 -0.21 -0.68 0.00 5.08 0.34 0.39 114.58 120.28 1ekz h GLU 67 Ca 0.06 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1ekz h GLU 67 Cb 0.99 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1ekz h GLU 67 CO 0.10 -0.14 0.38 -0.22 -1.00 0.00 0.00 179.01 178.13 1ekz h LYS 68 N -0.21 0.67 0.44 2.33 1.63 -0.93 0.48 116.57 120.97 1ekz h LYS 68 Ca 0.09 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1ekz h LYS 68 Cb 0.34 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1ekz h LYS 68 CO -0.23 0.45 -0.21 1.98 -3.45 0.00 0.00 179.45 177.98 1ekz h MET 69 N 0.69 -0.56 0.01 1.90 4.05 -0.89 -2.70 114.93 117.42 1ekz h MET 69 Ca 0.30 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1ekz h MET 69 Cb 0.19 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1ekz h MET 69 CO -0.19 -0.30 -0.00 -0.07 0.23 0.00 0.00 176.91 176.58 1ekz h LEU 70 N -0.73 -0.01 -0.81 3.39 3.38 -0.00 0.43 115.31 120.96 1ekz h LEU 70 Ca -0.06 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 57.92 1ekz h LEU 70 Cb 0.52 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.13 1ekz h LEU 70 CO 0.10 0.18 0.06 0.58 0.09 0.00 0.00 178.44 179.45 1ekz h VAL 71 N -0.19 0.31 0.10 1.22 2.07 -0.08 0.61 116.25 120.28 1ekz h VAL 71 Ca -0.00 -0.04 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1ekz h VAL 71 Cb 0.19 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1ekz h VAL 71 CO 0.00 0.02 -0.84 -0.33 0.02 0.00 0.00 177.57 176.45 1ekz h GLU 72 N 0.12 0.20 -0.31 1.57 5.08 -1.35 -3.00 114.58 116.90 1ekz h GLU 72 Ca 0.46 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1ekz h GLU 72 Cb 0.86 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1ekz h GLU 72 CO -0.68 1.17 0.25 -0.07 -1.00 0.00 0.00 179.01 178.67 1ekz h LEU 73 N -0.53 0.00 0.00 1.33 3.38 0.62 0.84 115.31 120.95 1ekz h LEU 73 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ekz h LEU 73 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1ekz h LEU 73 CO 0.07 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.19 1ekz n GLN 74 N -4.23 0.07 -0.04 1.13 1.13 0.21 -3.88 117.38 111.77 1ekz n GLN 74 Ca 0.05 0.03 0.02 0.00 -1.94 0.00 0.00 57.00 55.15 1ekz n GLN 74 Cb 0.42 -1.55 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 1ekz n GLN 74 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ekz n LYS 75 N -1.66 0.90 -0.41 -1.09 4.81 0.14 -5.08 118.16 115.78 1ekz n LYS 75 Ca 0.05 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1ekz n LYS 75 Cb 0.36 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85