#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 1.27 -0.59 7.83 5.68 -1.26 -5.11 116.55 124.38 1ekz n ASP 2 Ca 0.00 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1ekz n ASP 2 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1ekz n ASP 2 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ekz n GLU 3 N -3.82 0.00 0.00 0.11 4.71 -1.26 -5.05 120.64 115.33 1ekz n GLU 3 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.88 1ekz n GLU 3 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.06 1ekz n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ekz n GLY 4 N 0.00 2.34 3.62 0.62 0.00 -1.26 -4.97 105.19 105.55 1ekz n GLY 4 Ca 0.00 -2.04 -0.50 0.00 0.00 0.00 0.00 46.02 43.48 1ekz n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ekz n ASP 5 N 0.00 2.94 -2.72 1.61 2.03 -1.26 -4.83 116.55 114.32 1ekz n ASP 5 Ca 0.00 0.79 -0.08 0.00 0.52 0.00 0.00 54.79 56.02 1ekz n ASP 5 Cb 0.00 -1.32 0.09 0.00 -0.72 0.00 0.00 41.12 39.18 1ekz n ASP 5 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ekz n LYS 6 N 6.99 0.97 0.30 -0.67 4.81 -1.26 -5.04 118.16 124.26 1ekz n LYS 6 Ca 0.28 -1.80 -0.13 0.00 -0.87 0.00 0.00 58.31 55.79 1ekz n LYS 6 Cb 0.26 -0.81 -0.07 0.00 0.02 0.00 0.00 35.03 34.44 1ekz n LYS 6 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ekz h LYS 7 N 2.77 -0.80 -4.57 1.64 3.64 -2.02 -3.38 116.57 113.85 1ekz h LYS 7 Ca -0.15 0.05 -0.71 0.00 -1.27 0.00 0.00 60.65 58.58 1ekz h LYS 7 Cb 1.14 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.93 1ekz h LYS 7 CO 0.09 -0.53 -0.46 0.45 -2.27 0.00 0.00 179.45 176.73 1ekz s SER 8 N -3.44 6.02 -0.76 4.20 0.15 -1.26 -5.03 113.70 113.59 1ekz s SER 8 Ca -0.13 -0.80 -0.26 0.00 0.70 0.00 0.00 55.95 55.46 1ekz s SER 8 Cb 0.02 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.22 1ekz s SER 8 CO 0.40 -0.39 1.48 -2.16 1.20 0.00 0.00 173.24 173.77 1ekz s PRO 9 N 1.67 3.07 0.14 5.44 0.04 -1.26 -4.89 135.00 139.21 1ekz s PRO 9 Ca 0.05 -0.16 -0.21 0.00 0.04 0.00 0.00 61.00 60.72 1ekz s PRO 9 Cb -0.19 -4.43 0.01 0.00 0.04 0.00 0.00 34.50 29.93 1ekz s PRO 9 CO 0.09 -2.36 1.66 0.82 0.04 0.00 0.00 177.00 177.25 1ekz h ILE 10 N 6.40 0.57 -1.00 0.56 2.04 -1.96 -0.95 117.51 123.16 1ekz h ILE 10 Ca -0.19 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.81 1ekz h ILE 10 Cb 1.07 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.63 1ekz h ILE 10 CO 1.28 0.00 0.63 0.77 0.00 0.00 0.00 178.15 180.83 1ekz h SER 11 N -0.16 0.88 0.01 1.72 4.64 -1.99 0.13 113.55 118.79 1ekz h SER 11 Ca 0.12 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ekz h SER 11 Cb 0.34 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ekz h SER 11 CO -0.29 0.43 -0.01 1.56 -0.87 0.00 0.00 176.83 177.65 1ekz h GLN 12 N 0.93 -0.02 -0.96 4.77 4.20 -1.63 0.30 115.11 122.70 1ekz h GLN 12 Ca 0.52 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.25 1ekz h GLN 12 Cb 0.60 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1ekz h GLN 12 CO -0.29 0.21 0.63 -0.24 -0.67 0.00 0.00 178.83 178.47 1ekz h VAL 13 N -0.24 1.20 0.24 -0.54 3.04 -0.36 0.26 116.25 119.84 1ekz h VAL 13 Ca -0.00 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1ekz h VAL 13 Cb 0.23 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1ekz h VAL 13 CO 0.00 0.23 -0.12 0.45 -1.01 0.00 0.00 177.57 177.12 1ekz h HIS 14 N 1.24 -0.30 -0.86 3.17 3.86 -0.45 0.27 115.15 122.08 1ekz h HIS 14 Ca 0.37 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1ekz h HIS 14 Cb -0.06 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1ekz h HIS 14 CO -0.00 -0.06 0.51 1.05 0.86 0.00 0.00 177.93 180.29 1ekz h GLU 15 N -0.49 1.18 -0.10 2.45 4.11 0.04 0.19 114.58 121.96 1ekz h GLU 15 Ca -0.03 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 1ekz h GLU 15 Cb 0.37 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ekz h GLU 15 CO 0.05 0.84 -0.05 0.82 0.07 0.00 0.00 179.01 180.74 1ekz h ILE 16 N 1.19 1.32 0.18 -1.06 1.08 -0.37 0.12 117.51 119.98 1ekz h ILE 16 Ca 0.31 -1.07 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1ekz h ILE 16 Cb -0.03 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1ekz h ILE 16 CO -0.06 0.30 -0.09 1.23 -0.69 0.00 0.00 178.15 178.85 1ekz h GLY 17 N -0.16 -0.26 0.97 5.37 0.00 -0.26 -0.41 103.07 108.32 1ekz h GLY 17 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1ekz h GLY 17 CO 0.01 -0.09 0.15 -2.22 0.00 0.00 0.00 176.54 174.39 1ekz h ILE 18 N -0.33 1.05 -0.89 2.60 1.08 -0.44 0.52 117.51 121.10 1ekz h ILE 18 Ca -0.03 -0.11 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 1ekz h ILE 18 Cb 0.25 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.64 1ekz h ILE 18 CO 0.04 0.06 0.57 0.50 -0.69 0.00 0.00 178.15 178.63 1ekz h LYS 19 N 0.31 0.83 -0.91 2.37 1.63 -0.60 0.89 116.57 121.09 1ekz h LYS 19 Ca 0.09 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1ekz h LYS 19 Cb -0.02 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1ekz h LYS 19 CO -0.03 0.55 0.01 0.54 -3.45 0.00 0.00 179.45 177.07 1ekz n ARG 20 N -4.53 1.84 -2.34 1.90 5.12 -0.18 -4.84 116.66 113.63 1ekz n ARG 20 Ca 0.15 -0.71 -0.18 0.00 -1.93 0.00 0.00 57.85 55.18 1ekz n ARG 20 Cb 0.33 -1.64 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ekz n ASN 21 N 0.14 -5.27 -4.34 0.55 4.05 0.31 -4.99 115.26 105.71 1ekz n ASN 21 Ca 0.07 -0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.75 1ekz n ASN 21 Cb 0.49 -4.34 -0.14 0.00 1.23 0.00 0.00 39.78 37.02 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1ekz s MET 22 N -4.90 3.37 0.01 1.20 -1.94 0.17 -4.99 119.30 112.23 1ekz s MET 22 Ca 0.00 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 1ekz s MET 22 Cb 0.00 -2.74 -0.07 0.00 2.01 0.00 0.00 34.83 34.03 1ekz s MET 22 CO 0.00 0.07 1.66 0.95 -0.01 0.00 0.00 175.02 177.69 1ekz s THR 23 N 0.73 3.33 -0.32 2.05 -4.23 -1.26 -2.76 115.64 113.18 1ekz s THR 23 Ca -0.05 0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1ekz s THR 23 Cb -0.15 -3.38 0.07 0.00 1.34 0.00 0.00 72.50 70.37 1ekz s THR 23 CO 0.02 -0.03 0.04 -0.69 -0.54 0.00 0.00 174.62 173.42 1ekz s VAL 24 N 3.38 2.95 -0.07 2.29 1.01 -1.26 -3.68 120.40 125.03 1ekz s VAL 24 Ca 0.74 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1ekz s VAL 24 Cb -0.36 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1ekz s VAL 24 CO 0.31 -0.26 -0.22 -1.00 0.00 0.00 0.00 175.10 173.93 1ekz s HIS 25 N 1.19 2.23 -0.43 5.22 3.76 -0.71 -4.96 115.29 121.59 1ekz s HIS 25 Ca -0.01 -0.79 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 1ekz s HIS 25 Cb -0.20 -1.49 0.13 0.00 1.11 0.00 0.00 32.58 32.12 1ekz s HIS 25 CO -0.02 -0.30 0.22 -0.06 -0.85 0.00 0.00 174.74 173.73 1ekz s PHE 26 N 0.18 2.18 -0.17 1.40 0.40 -1.26 -0.48 117.98 120.24 1ekz s PHE 26 Ca -0.11 -2.48 0.01 0.00 -0.60 0.00 0.00 56.93 53.75 1ekz s PHE 26 Cb -0.15 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.36 1ekz s PHE 26 CO 0.06 -0.79 -0.20 0.21 0.70 0.00 0.00 175.22 175.19 1ekz s LYS 27 N 0.41 2.93 0.64 0.44 2.20 0.20 -4.95 119.74 121.61 1ekz s LYS 27 Ca 0.16 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 1ekz s LYS 27 Cb -0.24 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 1ekz s LYS 27 CO -0.02 -0.17 1.11 0.54 -0.36 0.00 0.00 175.35 176.44 1ekz s VAL 28 N 1.22 3.30 -0.08 4.02 0.11 -1.26 -0.67 120.40 127.04 1ekz s VAL 28 Ca 0.03 0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 59.65 1ekz s VAL 28 Cb -0.13 -3.16 -0.02 0.00 -1.53 0.00 0.00 36.38 31.54 1ekz s VAL 28 CO -0.11 -0.35 -0.11 0.18 -3.33 0.00 0.00 175.10 171.38 1ekz n LEU 29 N -2.23 1.02 0.00 2.54 4.77 -0.32 -4.73 117.00 118.05 1ekz n LEU 29 Ca 0.10 0.44 0.01 0.00 -0.03 0.00 0.00 56.01 56.53 1ekz n LEU 29 Cb 0.52 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ekz n LEU 29 CO 0.47 -0.47 0.34 -1.14 -1.33 0.00 0.00 177.39 175.26 1ekz n ARG 30 N -3.58 0.00 -2.14 3.23 0.63 -1.25 -5.05 116.66 108.50 1ekz n ARG 30 Ca -0.04 -0.15 -0.30 0.00 -0.92 0.00 0.00 57.85 56.44 1ekz n ARG 30 Cb 0.16 0.29 0.01 0.00 0.45 0.00 0.00 32.46 33.37 1ekz n ARG 30 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1ekz s GLU 31 N -2.00 3.54 -0.92 -0.14 1.03 -1.26 -2.70 118.70 116.25 1ekz s GLU 31 Ca 0.09 0.54 -0.02 0.00 0.03 0.00 0.00 54.97 55.61 1ekz s GLU 31 Cb -0.00 -2.18 0.29 0.00 -0.80 0.00 0.00 34.13 31.43 1ekz s GLU 31 CO -0.01 -0.46 2.07 0.39 -1.33 0.00 0.00 175.26 175.92 1ekz n GLU 32 N -2.59 3.89 0.00 -4.83 1.02 0.12 -4.87 120.64 113.39 1ekz n GLU 32 Ca 0.04 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.37 1ekz n GLU 32 Cb 0.55 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.00 2.09 0.00 0.62 0.00 -1.26 -4.58 105.19 102.06 1ekz n GLY 33 Ca 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1ekz n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ekz n PRO 34 N -1.15 0.00 -0.02 1.61 -0.04 -1.26 -4.65 135.00 129.48 1ekz n PRO 34 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1ekz n PRO 34 Cb 0.00 -0.42 -0.02 0.00 -0.04 0.00 0.00 33.50 33.02 1ekz n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ekz n ALA 35 N -1.65 2.00 -0.74 0.55 0.00 -1.26 -4.54 120.51 114.87 1ekz n ALA 35 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1ekz n ALA 35 Cb 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1ekz n ALA 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ekz n HIS 36 N -2.69 1.02 0.00 0.00 1.44 -1.26 -3.60 115.22 110.14 1ekz n HIS 36 Ca -0.08 -1.73 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 1ekz n HIS 36 Cb 0.58 -1.57 0.00 0.00 0.12 0.00 0.00 29.99 29.12 1ekz n HIS 36 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 1ekz n MET 37 N 3.69 0.00 -2.34 -1.40 0.00 -1.26 -5.02 117.12 110.79 1ekz n MET 37 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 58.01 1ekz n MET 37 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.48 1ekz n MET 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1ekz n LYS 38 N -2.52 -2.26 -3.07 2.12 4.81 -1.24 -4.94 118.16 111.06 1ekz n LYS 38 Ca 0.00 0.50 -0.24 0.00 -0.87 0.00 0.00 58.31 57.69 1ekz n LYS 38 Cb 0.00 -5.04 -0.00 0.00 0.02 0.00 0.00 35.03 30.01 1ekz n LYS 38 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ekz s ASN 39 N -2.01 6.13 -0.12 3.14 2.47 -1.26 -3.99 114.94 119.30 1ekz s ASN 39 Ca 0.00 0.52 -0.04 0.00 0.42 0.00 0.00 52.86 53.77 1ekz s ASN 39 Cb 0.00 -1.93 0.06 0.00 -1.45 0.00 0.00 41.25 37.93 1ekz s ASN 39 CO 0.00 -0.50 0.20 -0.36 -3.72 0.00 0.00 177.10 172.72 1ekz s PHE 40 N -2.50 -0.25 -0.17 0.43 0.08 -0.96 0.13 117.98 114.75 1ekz s PHE 40 Ca 0.44 0.58 -0.24 0.00 0.12 0.00 0.00 56.93 57.84 1ekz s PHE 40 Cb -0.10 -0.24 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 1ekz s PHE 40 CO 0.39 -0.37 0.77 0.42 -0.10 0.00 0.00 175.22 176.33 1ekz s ILE 41 N 2.33 4.93 -0.01 0.64 -1.09 -1.10 -2.52 121.20 124.39 1ekz s ILE 41 Ca 0.03 1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 59.93 1ekz s ILE 41 Cb -0.13 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1ekz s ILE 41 CO -0.08 0.06 0.17 -0.89 -1.23 0.00 0.00 174.94 172.98 1ekz s THR 42 N 1.99 5.33 -0.18 2.92 2.01 0.12 -1.17 115.64 126.68 1ekz s THR 42 Ca 0.36 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1ekz s THR 42 Cb -0.16 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1ekz s THR 42 CO 0.12 0.32 -0.17 0.00 -0.69 0.00 0.00 174.62 174.20 1ekz s ALA 43 N -1.32 2.41 0.06 7.40 0.00 0.16 -0.36 121.76 130.11 1ekz s ALA 43 Ca 0.27 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1ekz s ALA 43 Cb -0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1ekz s ALA 43 CO 0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 175.76 175.58 1ekz s ILE 45 N -1.84 0.70 -0.29 0.00 2.07 0.37 0.11 121.20 122.32 1ekz s ILE 45 Ca -0.04 -0.32 -0.17 0.00 -1.41 0.00 0.00 60.65 58.71 1ekz s ILE 45 Cb -0.07 -0.62 0.14 0.00 0.13 0.00 0.00 42.46 42.04 1ekz s ILE 45 CO -0.00 0.22 0.98 0.54 -1.91 0.00 0.00 174.94 174.77 1ekz s VAL 46 N 0.18 0.00 0.00 4.00 0.11 -0.22 -1.75 120.40 122.72 1ekz s VAL 46 Ca -0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1ekz s VAL 46 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1ekz s VAL 46 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1ekz n GLY 47 N 3.48 0.56 0.04 6.54 0.00 -1.26 -0.18 105.19 114.37 1ekz n GLY 47 Ca -0.18 0.69 0.05 0.00 0.00 0.00 0.00 46.02 46.58 1ekz n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ekz n SER 48 N 6.73 2.08 -4.66 1.61 2.88 -1.26 -5.03 113.62 115.97 1ekz n SER 48 Ca 0.00 -2.50 -0.32 0.00 -1.33 0.00 0.00 58.87 54.72 1ekz n SER 48 Cb 0.00 -0.21 -0.09 0.00 -0.75 0.00 0.00 64.21 63.16 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ekz s ILE 49 N -1.86 4.05 0.16 2.46 -1.09 0.75 -5.12 121.20 120.56 1ekz s ILE 49 Ca 0.15 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 1ekz s ILE 49 Cb 0.13 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1ekz s ILE 49 CO 0.01 0.37 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.38 1ekz s VAL 50 N -1.08 0.76 0.00 2.92 1.01 -1.24 -1.06 120.40 121.71 1ekz s VAL 50 Ca 0.19 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1ekz s VAL 50 Cb -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1ekz s VAL 50 CO 0.10 -0.55 0.00 0.35 0.00 0.00 0.00 175.10 175.00 1ekz n THR 51 N -0.22 0.00 -1.21 3.92 -2.24 0.31 -4.62 114.28 110.20 1ekz n THR 51 Ca -0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1ekz n THR 51 Cb 0.63 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 1ekz n THR 51 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ekz n GLU 52 N 0.00 -1.20 -2.83 -0.78 -0.58 -1.26 -2.32 120.64 111.67 1ekz n GLU 52 Ca 0.00 0.27 -0.43 0.00 -0.42 0.00 0.00 57.16 56.57 1ekz n GLU 52 Cb 0.00 -4.38 -0.01 0.00 -0.57 0.00 0.00 31.44 26.48 1ekz n GLU 52 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ekz s GLY 53 N -1.42 1.99 -1.28 0.62 0.00 0.51 -4.61 107.32 103.13 1ekz s GLY 53 Ca 0.00 -2.96 -0.12 0.00 0.00 0.00 0.00 44.72 41.64 1ekz s GLY 53 CO 0.00 2.23 1.76 -1.84 0.00 0.00 0.00 173.10 175.24 1ekz n GLU 54 N 6.78 3.43 -2.81 2.90 0.28 -1.26 0.16 120.64 130.12 1ekz n GLU 54 Ca 0.34 -3.53 -0.42 0.00 -0.16 0.00 0.00 57.16 53.40 1ekz n GLU 54 Cb 0.46 -3.04 -0.03 0.00 1.43 0.00 0.00 31.44 30.26 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 1.99 2.22 -0.19 -1.84 0.00 -1.05 -4.84 107.32 103.61 1ekz s GLY 55 Ca 0.42 0.18 0.06 0.00 0.00 0.00 0.00 44.72 45.38 1ekz s GLY 55 CO 0.00 1.76 1.37 0.70 0.00 0.00 0.00 173.10 176.93 1ekz n ASN 56 N 5.09 3.66 0.00 1.64 3.02 -1.25 -2.26 115.26 125.16 1ekz n ASN 56 Ca 0.06 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1ekz n ASN 56 Cb 0.49 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ekz n GLY 57 N 0.02 0.43 3.42 7.41 0.00 -1.10 -4.75 105.19 110.62 1ekz n GLY 57 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.12 -1.60 1.61 5.02 -1.26 -3.09 118.16 118.96 1ekz n LYS 58 Ca 0.00 -1.02 -0.16 0.00 -2.02 0.00 0.00 58.31 55.10 1ekz n LYS 58 Cb 0.00 -2.94 -0.06 0.00 -0.02 0.00 0.00 35.03 32.01 1ekz n LYS 58 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ekz n LYS 59 N 7.09 -1.44 -3.85 1.97 4.76 -1.26 -4.92 118.16 120.51 1ekz n LYS 59 Ca 0.33 0.93 -0.09 0.00 -2.87 0.00 0.00 58.31 56.61 1ekz n LYS 59 Cb 0.45 -5.27 -0.07 0.00 -1.84 0.00 0.00 35.03 28.29 1ekz n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ekz s VAL 60 N -2.43 0.13 0.00 -0.18 0.11 -1.18 -5.02 120.40 111.83 1ekz s VAL 60 Ca 0.00 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1ekz s VAL 60 Cb 0.00 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1ekz s VAL 60 CO 0.00 -0.61 0.00 -1.20 -3.33 0.00 0.00 175.10 169.96 1ekz n SER 61 N 0.08 0.00 -0.16 3.54 7.64 -1.26 -2.69 113.62 120.77 1ekz n SER 61 Ca -0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 1ekz n SER 61 Cb 0.62 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.86 1ekz n SER 61 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ekz h LYS 62 N 0.00 0.51 0.09 1.43 3.64 -1.95 -2.25 116.57 118.03 1ekz h LYS 62 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ekz h LYS 62 Cb 0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1ekz h LYS 62 CO 0.00 0.34 -0.44 0.87 -2.27 0.00 0.00 179.45 177.95 1ekz h LYS 63 N 0.52 -0.59 -0.71 1.90 1.57 -1.92 -0.40 116.57 116.93 1ekz h LYS 63 Ca 0.20 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.18 1ekz h LYS 63 Cb 0.08 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 1ekz h LYS 63 CO -0.12 -0.39 0.03 -0.09 -0.57 0.00 0.00 179.45 178.31 1ekz h ARG 64 N -0.61 0.13 -0.50 3.15 9.65 -1.87 0.44 114.38 124.76 1ekz h ARG 64 Ca -0.00 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1ekz h ARG 64 Cb 0.62 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1ekz h ARG 64 CO -0.24 0.09 0.25 0.00 2.80 0.00 0.00 179.97 182.86 1ekz h ALA 65 N 1.65 0.63 -0.40 2.80 0.00 -0.78 -1.53 119.26 121.63 1ekz h ALA 65 Ca 0.39 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1ekz h ALA 65 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ekz h ALA 65 CO -0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 179.25 178.52 1ekz h ALA 66 N 1.27 0.55 -0.80 0.00 0.00 0.90 -2.57 119.26 118.60 1ekz h ALA 66 Ca 0.22 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1ekz h ALA 66 Cb 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1ekz h ALA 66 CO -0.15 0.35 0.43 0.93 0.00 0.00 0.00 179.25 180.81 1ekz h GLU 67 N 0.55 0.68 -0.77 0.00 5.08 0.23 0.31 114.58 120.67 1ekz h GLU 67 Ca 0.11 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1ekz h GLU 67 Cb 0.52 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1ekz h GLU 67 CO 0.03 0.45 0.29 -0.22 -1.00 0.00 0.00 179.01 178.55 1ekz h LYS 68 N 0.70 1.16 -0.32 2.33 3.64 -1.13 -1.75 116.57 121.20 1ekz h LYS 68 Ca 0.40 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1ekz h LYS 68 Cb 0.42 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ekz h LYS 68 CO -0.28 0.96 -0.14 0.52 -2.27 0.00 0.00 179.45 178.24 1ekz h MET 69 N 1.12 0.67 0.24 1.90 2.86 -0.63 -2.57 114.93 118.52 1ekz h MET 69 Ca 0.25 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ekz h MET 69 Cb 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ekz h MET 69 CO -0.02 0.88 -0.12 -0.07 1.06 0.00 0.00 176.91 178.64 1ekz h LEU 70 N 0.44 -0.28 -1.55 1.22 3.38 -0.24 0.32 115.31 118.60 1ekz h LEU 70 Ca 0.07 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1ekz h LEU 70 Cb 0.67 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1ekz h LEU 70 CO 0.04 -0.20 0.43 1.62 0.09 0.00 0.00 178.44 180.42 1ekz h VAL 71 N -0.33 0.93 0.28 1.22 3.04 -1.35 0.32 116.25 120.37 1ekz h VAL 71 Ca -0.03 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1ekz h VAL 71 Cb 0.25 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1ekz h VAL 71 CO 0.05 0.10 -0.13 -0.08 -1.01 0.00 0.00 177.57 176.49 1ekz h GLU 72 N 0.52 -0.36 -0.32 4.17 4.22 -0.97 -2.94 114.58 118.90 1ekz h GLU 72 Ca 0.29 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.85 1ekz h GLU 72 Cb 0.46 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ekz h GLU 72 CO -0.09 -0.10 0.26 -0.07 -2.18 0.00 0.00 179.01 176.83 1ekz h LEU 73 N -1.02 0.00 -1.02 1.64 3.38 -0.08 0.52 115.31 118.72 1ekz h LEU 73 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ekz h LEU 73 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ekz h LEU 73 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1ekz n GLN 74 N -4.20 1.64 -0.00 1.13 6.02 0.11 -3.65 117.38 118.43 1ekz n GLN 74 Ca 0.05 -1.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.06 1ekz n GLN 74 Cb 0.43 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 1ekz n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ekz n LYS 75 N 0.31 2.31 0.00 -1.09 4.76 0.18 -5.02 118.16 119.61 1ekz n LYS 75 Ca 0.09 -0.03 0.15 0.00 -2.87 0.00 0.00 58.31 55.66 1ekz n LYS 75 Cb 0.23 -0.96 0.77 0.00 -1.84 0.00 0.00 35.03 33.24 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31