#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekz n ASP 2 N 0.00 4.93 -1.71 7.83 9.92 -1.26 -4.84 116.55 131.42 1ekz n ASP 2 Ca 0.00 -3.71 -0.13 0.00 -0.53 0.00 0.00 54.79 50.42 1ekz n ASP 2 Cb 0.00 -0.58 0.05 0.00 -0.64 0.00 0.00 41.12 39.95 1ekz n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ekz n GLU 3 N -0.36 1.65 -3.23 -1.24 4.71 -1.26 -4.74 120.64 116.17 1ekz n GLU 3 Ca 0.37 -1.37 0.04 0.00 -0.01 0.00 0.00 57.16 56.18 1ekz n GLU 3 Cb 0.49 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.36 1ekz n GLU 3 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ekz s GLY 4 N 0.19 -0.21 0.00 0.62 0.00 -1.26 -5.10 107.32 101.56 1ekz s GLY 4 Ca 0.27 2.99 0.00 0.00 0.00 0.00 0.00 44.72 47.97 1ekz s GLY 4 CO 0.02 3.56 0.00 1.34 0.00 0.00 0.00 173.10 178.02 1ekz n ASP 5 N 5.18 0.00 -3.77 1.64 2.03 -1.26 -5.14 116.55 115.23 1ekz n ASP 5 Ca -0.07 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.09 1ekz n ASP 5 Cb 0.54 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.78 1ekz n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ekz s LYS 6 N 0.00 -0.02 -0.54 -0.67 3.01 -1.26 -5.03 119.74 115.22 1ekz s LYS 6 Ca 0.00 0.21 -0.06 0.00 -1.01 0.00 0.00 55.97 55.12 1ekz s LYS 6 Cb 0.00 -0.24 -0.13 0.00 -1.01 0.00 0.00 37.83 36.45 1ekz s LYS 6 CO 0.00 -0.17 2.55 1.63 0.51 0.00 0.00 175.35 179.88 1ekz n LYS 7 N 4.18 1.98 0.00 1.68 5.02 -1.26 -4.15 118.16 125.60 1ekz n LYS 7 Ca -0.28 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 1ekz n LYS 7 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1ekz n LYS 7 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ekz n SER 8 N 3.29 0.00 -2.37 4.39 7.64 -1.26 -5.05 113.62 120.26 1ekz n SER 8 Ca 0.42 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.18 1ekz n SER 8 Cb 0.42 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1ekz n SER 8 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ekz n PRO 9 N 0.00 1.64 0.05 1.43 -0.04 -1.26 -4.50 135.00 132.33 1ekz n PRO 9 Ca 0.00 -0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 62.43 1ekz n PRO 9 Cb 0.00 -2.00 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 1ekz n PRO 9 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ekz h ILE 10 N 2.51 1.04 0.25 0.52 1.08 -1.94 -0.45 117.51 120.52 1ekz h ILE 10 Ca 0.23 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1ekz h ILE 10 Cb 0.88 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1ekz h ILE 10 CO 0.57 0.22 -0.12 0.77 -0.69 0.00 0.00 178.15 178.90 1ekz h SER 11 N -0.67 -0.29 -0.78 1.72 4.64 -2.00 -1.80 113.55 114.39 1ekz h SER 11 Ca -0.02 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.41 1ekz h SER 11 Cb 0.50 0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 1ekz h SER 11 CO 0.03 -0.17 0.36 1.56 -0.87 0.00 0.00 176.83 177.75 1ekz h GLN 12 N -0.38 0.53 -0.78 4.77 4.20 -1.90 0.67 115.11 122.22 1ekz h GLN 12 Ca -0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1ekz h GLN 12 Cb 0.29 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1ekz h GLN 12 CO 0.06 0.35 0.31 -0.24 -0.67 0.00 0.00 178.83 178.64 1ekz h VAL 13 N 0.55 1.26 -0.35 -0.54 3.04 -0.81 0.33 116.25 119.73 1ekz h VAL 13 Ca 0.42 -0.82 -0.10 0.00 -1.01 0.00 0.00 66.70 65.18 1ekz h VAL 13 Cb 0.57 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1ekz h VAL 13 CO -0.36 0.33 -0.21 0.45 -1.01 0.00 0.00 177.57 176.78 1ekz h HIS 14 N 1.13 0.74 0.68 3.17 3.86 -0.13 -2.00 115.15 122.60 1ekz h HIS 14 Ca 0.26 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1ekz h HIS 14 Cb 0.22 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.51 1ekz h HIS 14 CO 0.02 0.81 -0.33 0.93 0.86 0.00 0.00 177.93 180.23 1ekz h GLU 15 N 0.58 -0.88 -0.64 2.45 5.08 0.13 -1.94 114.58 119.36 1ekz h GLU 15 Ca 0.09 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1ekz h GLU 15 Cb 0.67 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1ekz h GLU 15 CO 0.05 -0.59 0.44 -0.84 -1.00 0.00 0.00 179.01 177.07 1ekz h ILE 16 N -1.22 0.84 -0.04 3.13 -0.00 -0.40 1.36 117.51 121.17 1ekz h ILE 16 Ca -0.09 -0.12 -0.01 0.00 -0.00 0.00 0.00 64.86 64.63 1ekz h ILE 16 Cb 0.70 0.45 -0.00 0.00 -0.00 0.00 0.00 36.82 37.98 1ekz h ILE 16 CO 0.15 0.06 -0.03 1.23 -0.00 0.00 0.00 178.15 179.57 1ekz h GLY 17 N 0.35 0.09 1.46 0.16 0.00 -1.33 -3.01 103.07 100.80 1ekz h GLY 17 Ca 0.31 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.28 1ekz h GLY 17 CO -0.08 0.08 -1.16 -2.22 0.00 0.00 0.00 176.54 173.16 1ekz h ILE 18 N -0.34 1.39 0.00 2.60 5.03 -0.60 0.46 117.51 126.04 1ekz h ILE 18 Ca 0.01 -2.65 0.00 0.00 -0.12 0.00 0.00 64.86 62.10 1ekz h ILE 18 Cb 0.50 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 36.98 1ekz h ILE 18 CO 0.01 0.79 0.00 0.11 -0.68 0.00 0.00 178.15 178.38 1ekz h LYS 19 N 0.19 0.00 0.00 2.37 1.79 0.17 -3.38 116.57 117.72 1ekz h LYS 19 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1ekz h LYS 19 Cb 1.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1ekz h LYS 19 CO 0.21 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.12 1ekz n ARG 20 N -3.00 0.00 0.00 3.15 3.00 -1.14 -5.05 116.66 113.63 1ekz n ARG 20 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 1ekz n ARG 20 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.53 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ekz n ASN 21 N -1.49 0.00 -3.66 0.55 5.15 -0.70 -5.10 115.26 110.02 1ekz n ASN 21 Ca 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.77 1ekz n ASN 21 Cb 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 39.78 39.07 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1ekz s MET 22 N 0.00 -0.04 -0.56 1.20 -1.94 0.15 -4.80 119.30 113.31 1ekz s MET 22 Ca 0.00 0.27 -0.26 0.00 -1.71 0.00 0.00 55.69 53.99 1ekz s MET 22 Cb 0.00 -0.82 -0.04 0.00 2.01 0.00 0.00 34.83 35.98 1ekz s MET 22 CO 0.00 -0.41 2.02 0.95 -0.01 0.00 0.00 175.02 177.57 1ekz s THR 23 N 2.16 3.26 -0.41 2.05 -4.23 -1.26 -4.16 115.64 113.04 1ekz s THR 23 Ca 0.04 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.54 1ekz s THR 23 Cb -0.13 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1ekz s THR 23 CO -0.04 -0.61 0.44 0.54 -0.54 0.00 0.00 174.62 174.41 1ekz s VAL 24 N 9.86 5.08 -0.07 2.29 0.11 -1.25 -3.02 120.40 133.39 1ekz s VAL 24 Ca 0.77 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1ekz s VAL 24 Cb -0.15 -4.02 0.02 0.00 -1.53 0.00 0.00 36.38 30.70 1ekz s VAL 24 CO 0.23 -0.39 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.55 1ekz s HIS 25 N 2.18 1.07 -0.19 1.54 3.76 0.72 -4.98 115.29 119.38 1ekz s HIS 25 Ca 0.13 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1ekz s HIS 25 Cb -0.17 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1ekz s HIS 25 CO 0.14 -0.33 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.59 1ekz s PHE 26 N 1.33 2.95 -0.10 1.40 0.08 -1.26 0.02 117.98 122.40 1ekz s PHE 26 Ca -0.04 -0.71 -0.06 0.00 0.12 0.00 0.00 56.93 56.24 1ekz s PHE 26 Cb -0.14 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1ekz s PHE 26 CO -0.03 -0.36 0.25 0.21 -0.10 0.00 0.00 175.22 175.19 1ekz s LYS 27 N 1.04 0.23 0.47 0.44 2.20 0.74 -4.98 119.74 119.87 1ekz s LYS 27 Ca 0.01 0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 1ekz s LYS 27 Cb -0.15 -0.06 -0.09 0.00 -1.51 0.00 0.00 37.83 36.02 1ekz s LYS 27 CO 0.00 -0.13 1.02 0.08 -0.36 0.00 0.00 175.35 175.96 1ekz s VAL 28 N 1.01 3.91 -0.11 4.02 1.01 -1.26 0.49 120.40 129.47 1ekz s VAL 28 Ca -0.07 1.21 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 1ekz s VAL 28 Cb -0.08 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1ekz s VAL 28 CO -0.07 -0.24 -0.20 0.18 0.00 0.00 0.00 175.10 174.78 1ekz n LEU 29 N -0.83 1.17 -3.57 3.92 4.77 -0.90 -4.80 117.00 116.75 1ekz n LEU 29 Ca 0.08 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 1ekz n LEU 29 Cb 0.53 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1ekz n LEU 29 CO 0.39 -0.38 0.55 -0.60 -1.33 0.00 0.00 177.39 176.02 1ekz s ARG 30 N -2.10 0.83 0.55 3.23 3.00 -1.26 -5.11 118.95 118.10 1ekz s ARG 30 Ca -0.16 0.46 -0.08 0.00 -1.00 0.00 0.00 55.73 54.94 1ekz s ARG 30 Cb 0.02 0.40 -0.03 0.00 0.00 0.00 0.00 34.95 35.33 1ekz s ARG 30 CO 0.24 -0.21 0.90 -1.83 0.00 0.00 0.00 175.30 174.41 1ekz s GLU 31 N -0.61 3.52 -1.50 5.12 1.03 -1.26 -4.11 118.70 120.89 1ekz s GLU 31 Ca -0.04 0.43 -0.11 0.00 0.03 0.00 0.00 54.97 55.28 1ekz s GLU 31 Cb -0.02 -2.24 0.01 0.00 -0.80 0.00 0.00 34.13 31.08 1ekz s GLU 31 CO 0.04 -0.40 2.50 0.39 -1.33 0.00 0.00 175.26 176.46 1ekz n GLU 32 N -2.50 3.43 -0.50 -4.83 1.02 -1.24 -4.82 120.64 111.20 1ekz n GLU 32 Ca 0.03 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 1ekz n GLU 32 Cb 0.55 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.97 1ekz n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ekz n GLY 33 N 3.54 0.39 0.21 0.62 0.00 -1.26 -4.88 105.19 103.81 1ekz n GLY 33 Ca 0.62 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -2.80 1.61 0.13 -2.04 -3.48 132.00 125.43 1ekz h PRO 34 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1ekz h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ekz h PRO 34 CO 0.00 0.00 0.42 0.00 -0.23 0.00 0.00 178.00 178.19 1ekz s ALA 35 N -3.25 -1.12 0.00 -0.56 0.00 -1.26 -5.06 121.76 110.50 1ekz s ALA 35 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1ekz s ALA 35 Cb 0.07 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1ekz s ALA 35 CO 0.64 -1.02 0.51 0.72 0.00 0.00 0.00 175.76 176.61 1ekz n HIS 36 N -0.61 0.00 0.00 0.00 8.25 -1.26 -4.59 115.22 117.01 1ekz n HIS 36 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1ekz n HIS 36 Cb 0.60 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1ekz n HIS 36 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1ekz n MET 37 N -2.23 0.00 0.09 -0.41 0.00 -1.26 -3.84 117.12 109.47 1ekz n MET 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ekz n MET 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ekz n MET 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1ekz n LYS 38 N 0.00 0.00 -2.81 2.12 5.02 -1.26 -5.10 118.16 116.13 1ekz n LYS 38 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1ekz n LYS 38 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1ekz n LYS 38 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ekz s ASN 39 N -1.45 7.39 -0.14 4.39 0.01 -1.25 -3.10 114.94 120.79 1ekz s ASN 39 Ca 0.00 1.66 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1ekz s ASN 39 Cb 0.00 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.16 1ekz s ASN 39 CO 0.00 -0.07 0.01 -0.36 -1.51 0.00 0.00 177.10 175.17 1ekz s PHE 40 N 0.13 0.94 -0.67 2.20 0.40 -0.34 -3.66 117.98 116.98 1ekz s PHE 40 Ca 0.45 -0.58 -0.25 0.00 -0.60 0.00 0.00 56.93 55.94 1ekz s PHE 40 Cb -0.22 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.39 1ekz s PHE 40 CO 0.27 -0.49 1.13 0.42 0.70 0.00 0.00 175.22 177.25 1ekz s ILE 41 N 1.88 4.03 -0.31 0.64 1.09 -1.26 -2.49 121.20 124.79 1ekz s ILE 41 Ca 0.02 0.21 -0.15 0.00 -1.10 0.00 0.00 60.65 59.62 1ekz s ILE 41 Cb -0.15 -4.78 -0.02 0.00 -1.06 0.00 0.00 42.46 36.45 1ekz s ILE 41 CO -0.07 -1.58 0.39 -0.89 -0.10 0.00 0.00 174.94 172.69 1ekz s THR 42 N 4.90 5.15 0.30 2.92 2.01 -0.85 -2.11 115.64 127.95 1ekz s THR 42 Ca 0.31 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.38 1ekz s THR 42 Cb -0.11 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 1ekz s THR 42 CO 0.15 0.01 0.95 0.00 -0.69 0.00 0.00 174.62 175.04 1ekz s ALA 43 N 2.10 3.25 -0.11 7.40 0.00 0.18 0.32 121.76 134.91 1ekz s ALA 43 Ca 0.14 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1ekz s ALA 43 Cb -0.16 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1ekz s ALA 43 CO 0.11 0.17 -0.04 0.00 0.00 0.00 0.00 175.76 176.00 1ekz s ILE 45 N 1.80 3.73 0.00 0.00 2.07 0.10 0.94 121.20 129.84 1ekz s ILE 45 Ca 0.05 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1ekz s ILE 45 Cb -0.13 -2.58 0.00 0.00 0.13 0.00 0.00 42.46 39.88 1ekz s ILE 45 CO -0.07 0.54 0.00 0.52 -1.91 0.00 0.00 174.94 174.02 1ekz n VAL 46 N 3.00 0.00 -1.74 4.00 0.31 0.28 -0.20 118.33 123.99 1ekz n VAL 46 Ca -0.18 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.90 1ekz n VAL 46 Cb 0.53 -0.28 -0.05 0.00 -0.91 0.00 0.00 33.84 33.12 1ekz n VAL 46 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ekz s GLY 47 N -1.16 -0.37 -1.03 2.92 0.00 -1.17 -2.38 107.32 104.13 1ekz s GLY 47 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1ekz s GLY 47 CO 0.00 3.93 0.00 1.44 0.00 0.00 0.00 173.10 178.47 1ekz n SER 48 N 16.17 -3.86 -3.94 1.64 7.64 -1.26 -4.87 113.62 125.14 1ekz n SER 48 Ca 0.39 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.25 1ekz n SER 48 Cb 0.48 -2.89 -0.10 0.00 -1.01 0.00 0.00 64.21 60.69 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ekz s ILE 49 N -2.52 0.11 0.09 0.44 1.01 -1.00 -5.17 121.20 114.15 1ekz s ILE 49 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1ekz s ILE 49 Cb 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1ekz s ILE 49 CO 0.00 -0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 173.61 1ekz s VAL 50 N -1.64 1.20 -0.30 2.92 1.01 -1.26 0.10 120.40 122.43 1ekz s VAL 50 Ca -0.14 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 1ekz s VAL 50 Cb -0.08 -1.24 0.16 0.00 0.00 0.00 0.00 36.38 35.22 1ekz s VAL 50 CO -0.01 -0.28 0.81 -0.89 0.00 0.00 0.00 175.10 174.74 1ekz s THR 51 N -1.54 -0.74 0.54 3.92 2.01 0.27 -4.94 115.64 115.15 1ekz s THR 51 Ca 0.02 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1ekz s THR 51 Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1ekz s THR 51 CO 0.02 0.00 0.87 -1.61 -0.69 0.00 0.00 174.62 173.21 1ekz s GLU 52 N 2.73 3.44 -0.22 4.92 8.01 -1.26 -0.16 118.70 136.16 1ekz s GLU 52 Ca 0.01 0.30 -0.02 0.00 0.01 0.00 0.00 54.97 55.26 1ekz s GLU 52 Cb -0.10 -2.28 0.07 0.00 -4.31 0.00 0.00 34.13 27.50 1ekz s GLU 52 CO -0.18 -0.38 0.04 0.20 0.01 0.00 0.00 175.26 174.95 1ekz s GLY 53 N -4.16 0.81 -1.26 -1.39 0.00 0.15 -4.87 107.32 96.60 1ekz s GLY 53 Ca 0.50 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 1ekz s GLY 53 CO 0.47 1.42 1.84 -1.84 0.00 0.00 0.00 173.10 175.00 1ekz n GLU 54 N 4.99 2.65 -2.89 2.90 0.28 -1.26 -2.00 120.64 125.30 1ekz n GLU 54 Ca -0.08 -2.94 -0.20 0.00 -0.16 0.00 0.00 57.16 53.78 1ekz n GLU 54 Cb 0.46 -3.53 0.05 0.00 1.43 0.00 0.00 31.44 29.85 1ekz n GLU 54 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ekz s GLY 55 N 4.82 1.83 -0.07 -1.84 0.00 -1.04 -4.90 107.32 106.13 1ekz s GLY 55 Ca 0.58 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1ekz s GLY 55 CO 0.08 -1.43 1.50 -2.01 0.00 0.00 0.00 173.10 171.25 1ekz n ASN 56 N -2.21 4.21 0.00 1.64 4.05 -1.26 -1.20 115.26 120.49 1ekz n ASN 56 Ca 0.12 -2.37 0.00 0.00 0.45 0.00 0.00 54.58 52.78 1ekz n ASN 56 Cb 0.60 -0.79 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ekz n GLY 57 N 0.69 -0.15 3.50 8.20 0.00 -1.18 -4.54 105.19 111.71 1ekz n GLY 57 Ca 0.08 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1ekz n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ekz n LYS 58 N 4.31 0.55 0.00 1.61 5.02 -1.26 -1.54 118.16 126.85 1ekz n LYS 58 Ca 0.00 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1ekz n LYS 58 Cb 0.00 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 31.62 1ekz n LYS 58 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ekz n LYS 59 N 7.99 0.00 0.00 1.97 2.85 -1.26 -4.98 118.16 124.72 1ekz n LYS 59 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 1ekz n LYS 59 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ekz n VAL 60 N 0.00 0.00 -0.24 0.58 0.31 -0.99 -4.62 118.33 113.37 1ekz n VAL 60 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1ekz n VAL 60 Cb 0.00 -0.72 0.14 0.00 -0.91 0.00 0.00 33.84 32.36 1ekz n VAL 60 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ekz h SER 61 N 0.00 0.41 0.61 4.52 0.02 -1.48 0.54 113.55 118.16 1ekz h SER 61 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ekz h SER 61 Cb 0.89 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1ekz h SER 61 CO 0.00 0.22 0.00 1.17 -1.14 0.00 0.00 176.83 177.08 1ekz n LYS 62 N -4.90 0.06 -0.01 3.45 4.81 -1.26 -2.58 118.16 117.73 1ekz n LYS 62 Ca 0.11 0.15 -0.02 0.00 -0.87 0.00 0.00 58.31 57.69 1ekz n LYS 62 Cb 0.30 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.85 1ekz n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ekz n LYS 63 N -1.46 0.09 -0.36 1.64 5.02 0.12 -3.90 118.16 119.31 1ekz n LYS 63 Ca 0.06 0.04 0.27 0.00 -2.02 0.00 0.00 58.31 56.65 1ekz n LYS 63 Cb 0.21 -0.62 0.52 0.00 -0.02 0.00 0.00 35.03 35.13 1ekz n LYS 63 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ekz h ARG 64 N -0.17 0.27 -0.29 1.97 2.43 -0.30 0.70 114.38 118.99 1ekz h ARG 64 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1ekz h ARG 64 Cb 0.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ekz h ARG 64 CO 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 1ekz h ALA 65 N 1.74 0.39 -0.26 2.80 0.00 -1.66 -2.24 119.26 120.04 1ekz h ALA 65 Ca 0.73 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 1ekz h ALA 65 Cb 1.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1ekz h ALA 65 CO -0.50 0.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.79 1ekz h ALA 66 N 0.83 0.36 -0.45 0.00 0.00 -0.01 -2.64 119.26 117.34 1ekz h ALA 66 Ca 0.08 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1ekz h ALA 66 Cb 0.43 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1ekz h ALA 66 CO 0.01 0.20 -0.25 0.93 0.00 0.00 0.00 179.25 180.14 1ekz h GLU 67 N 0.26 -0.15 0.06 0.00 3.07 0.07 0.41 114.58 118.30 1ekz h GLU 67 Ca 0.06 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1ekz h GLU 67 Cb 0.58 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 1ekz h GLU 67 CO 0.03 -0.10 -0.23 0.87 -1.40 0.00 0.00 179.01 178.18 1ekz h LYS 68 N -0.15 -0.38 -0.80 2.33 1.79 -1.34 0.13 116.57 118.14 1ekz h LYS 68 Ca 0.21 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.76 1ekz h LYS 68 Cb 0.49 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 1ekz h LYS 68 CO -0.55 -0.26 0.53 1.98 -1.08 0.00 0.00 179.45 180.07 1ekz h MET 69 N -0.40 0.89 -0.02 3.15 4.05 -0.86 0.52 114.93 122.26 1ekz h MET 69 Ca 0.05 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1ekz h MET 69 Cb 0.45 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1ekz h MET 69 CO -0.17 0.59 -0.00 -0.07 0.23 0.00 0.00 176.91 177.48 1ekz h LEU 70 N 0.92 0.04 -1.01 3.39 3.38 0.73 0.27 115.31 123.03 1ekz h LEU 70 Ca 0.34 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ekz h LEU 70 Cb 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ekz h LEU 70 CO -0.11 0.39 -0.04 1.62 0.09 0.00 0.00 178.44 180.39 1ekz h VAL 71 N -0.30 1.23 -0.20 1.22 3.04 -0.28 0.71 116.25 121.67 1ekz h VAL 71 Ca 0.01 -0.98 -0.02 0.00 -1.01 0.00 0.00 66.70 64.70 1ekz h VAL 71 Cb 0.37 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1ekz h VAL 71 CO 0.00 0.34 0.04 -0.33 -1.01 0.00 0.00 177.57 176.61 1ekz h GLU 72 N 0.62 0.32 0.00 4.17 5.08 0.19 -2.20 114.58 122.77 1ekz h GLU 72 Ca 0.12 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1ekz h GLU 72 Cb 0.45 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ekz h GLU 72 CO 0.02 0.45 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.91 1ekz h LEU 73 N 0.13 0.00 0.00 1.33 3.38 -0.12 -2.14 115.31 117.89 1ekz h LEU 73 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ekz h LEU 73 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ekz h LEU 73 CO 0.00 0.51 -0.02 0.00 0.09 0.00 0.00 178.44 179.02 1ekz n GLN 74 N -3.53 0.03 -0.00 1.13 6.02 0.24 -3.73 117.38 117.54 1ekz n GLN 74 Ca -0.00 0.02 0.01 0.00 -0.01 0.00 0.00 57.00 57.03 1ekz n GLN 74 Cb 0.61 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1ekz n GLN 74 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ekz n LYS 75 N -1.58 3.84 0.00 -1.09 0.00 -0.84 -5.04 118.16 113.44 1ekz n LYS 75 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 58.31 58.38 1ekz n LYS 75 Cb 0.35 -0.80 0.07 0.00 0.00 0.00 0.00 35.03 34.65 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68