#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 -1.29 -4.22 6.12 8.00 -1.26 -4.99 116.55 118.91 1ekz n ASP 2 Ca 0.00 -0.84 -0.20 0.00 0.71 0.00 0.00 54.79 54.45 1ekz n ASP 2 Cb 0.00 -3.89 -0.12 0.00 -0.02 0.00 0.00 41.12 37.09 1ekz n ASP 2 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ekz s GLU 3 N -6.11 0.95 0.00 -1.24 2.02 -1.26 -4.94 118.70 108.11 1ekz s GLU 3 Ca 0.05 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1ekz s GLU 3 Cb -0.03 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.19 1ekz s GLU 3 CO 0.82 0.23 0.00 0.41 0.02 0.00 0.00 175.26 176.74 1ekz n GLY 4 N 1.10 -0.35 2.16 -1.39 0.00 -1.26 -4.87 105.19 100.58 1ekz n GLY 4 Ca -0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 1ekz n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ekz n ASP 5 N -0.63 3.05 -3.53 1.61 9.92 -1.26 -4.63 116.55 121.08 1ekz n ASP 5 Ca 0.00 -2.04 -0.20 0.00 -0.53 0.00 0.00 54.79 52.02 1ekz n ASP 5 Cb 0.19 -0.81 -0.14 0.00 -0.64 0.00 0.00 41.12 39.72 1ekz n ASP 5 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ekz s LYS 6 N 1.74 0.15 0.00 -1.24 -0.14 -1.26 -4.98 119.74 114.01 1ekz s LYS 6 Ca 0.35 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.13 1ekz s LYS 6 Cb 0.17 -1.28 0.00 0.00 -1.68 0.00 0.00 37.83 35.04 1ekz s LYS 6 CO 0.00 -0.63 0.27 1.17 -0.76 0.00 0.00 175.35 175.40 1ekz n LYS 7 N 5.31 0.00 -3.67 1.68 3.00 -1.26 -5.02 118.16 118.20 1ekz n LYS 7 Ca -0.06 -0.27 -0.29 0.00 -0.00 0.00 0.00 58.31 57.70 1ekz n LYS 7 Cb 0.49 -0.48 -0.16 0.00 0.00 0.00 0.00 35.03 34.89 1ekz n LYS 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ekz s SER 8 N 0.00 3.47 -0.01 3.14 0.15 -1.26 -5.00 113.70 114.19 1ekz s SER 8 Ca 0.00 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.40 1ekz s SER 8 Cb 0.00 -0.60 0.02 0.00 -1.71 0.00 0.00 66.02 63.73 1ekz s SER 8 CO 0.00 -0.39 0.83 -0.81 1.20 0.00 0.00 173.24 174.07 1ekz n PRO 9 N 5.05 1.06 0.17 5.44 -0.04 -1.26 -4.37 135.00 141.06 1ekz n PRO 9 Ca -0.05 -0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 1ekz n PRO 9 Cb 0.44 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.06 0.00 -0.46 0.52 1.08 -1.94 -2.94 117.51 113.83 1ekz h ILE 10 Ca 0.01 -0.51 0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1ekz h ILE 10 Cb 0.85 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.52 1ekz h ILE 10 CO 0.02 0.00 -0.54 -1.28 -0.69 0.00 0.00 178.15 175.66 1ekz h SER 11 N -1.02 -1.84 -0.85 1.72 0.87 -2.00 0.24 113.55 110.67 1ekz h SER 11 Ca -0.05 0.25 0.20 0.00 -1.23 0.00 0.00 61.79 60.95 1ekz h SER 11 Cb 0.39 0.76 -0.12 0.00 -0.44 0.00 0.00 62.40 62.99 1ekz h SER 11 CO 0.08 -0.37 0.33 -0.61 -0.53 0.00 0.00 176.83 175.73 1ekz h GLN 12 N -0.34 0.36 -0.53 2.24 4.15 -1.87 0.54 115.11 119.65 1ekz h GLN 12 Ca 0.08 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1ekz h GLN 12 Cb 0.56 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1ekz h GLN 12 CO -0.61 0.24 0.33 0.28 -1.93 0.00 0.00 178.83 177.13 1ekz h VAL 13 N 0.37 1.15 -0.43 2.39 2.07 -0.81 0.32 116.25 121.32 1ekz h VAL 13 Ca 0.52 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 1ekz h VAL 13 Cb 0.95 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ekz h VAL 13 CO -0.52 0.15 0.02 0.45 0.02 0.00 0.00 177.57 177.70 1ekz h HIS 14 N 0.71 0.80 0.05 1.57 3.86 0.54 0.34 115.15 123.01 1ekz h HIS 14 Ca 0.19 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1ekz h HIS 14 Cb -0.03 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1ekz h HIS 14 CO -0.03 0.79 -0.06 0.93 0.86 0.00 0.00 177.93 180.41 1ekz h GLU 15 N 0.58 -0.13 -0.05 2.45 5.08 0.47 0.26 114.58 123.24 1ekz h GLU 15 Ca 0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1ekz h GLU 15 Cb 0.45 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ekz h GLU 15 CO 0.02 -0.09 0.00 0.82 -1.00 0.00 0.00 179.01 178.76 1ekz h ILE 16 N -0.14 1.23 -0.50 3.13 2.04 -0.26 0.17 117.51 123.18 1ekz h ILE 16 Ca 0.01 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1ekz h ILE 16 Cb 0.14 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1ekz h ILE 16 CO -0.03 0.19 0.16 1.23 0.00 0.00 0.00 178.15 179.70 1ekz h GLY 17 N -0.18 0.65 0.95 5.37 0.00 -0.18 1.04 103.07 110.72 1ekz h GLY 17 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1ekz h GLY 17 CO 0.00 -0.02 -0.01 -2.22 0.00 0.00 0.00 176.54 174.29 1ekz h ILE 18 N 0.32 1.26 0.00 2.60 1.08 -0.37 0.51 117.51 122.91 1ekz h ILE 18 Ca 0.24 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.60 1ekz h ILE 18 Cb 0.28 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1ekz h ILE 18 CO -0.27 0.35 -0.36 0.50 -0.69 0.00 0.00 178.15 177.67 1ekz h LYS 19 N 0.53 0.00 0.00 2.37 3.64 0.13 -3.34 116.57 119.91 1ekz h LYS 19 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1ekz h LYS 19 Cb 0.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ekz h LYS 19 CO 0.02 0.36 -0.50 0.00 -2.27 0.00 0.00 179.45 177.07 1ekz h ARG 20 N 0.00 0.00 0.00 1.90 3.08 0.13 -3.50 114.38 116.00 1ekz h ARG 20 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ekz h ARG 20 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1ekz h ARG 20 CO 0.05 0.05 0.00 0.27 -1.07 0.00 0.00 179.97 179.26 1ekz n ASN 21 N -4.62 0.00 -4.74 7.04 6.94 0.18 -5.07 115.26 114.99 1ekz n ASN 21 Ca -0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.06 1ekz n ASN 21 Cb 0.26 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.67 1ekz n ASN 21 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1ekz n MET 22 N 0.00 2.48 -2.54 -3.83 0.00 -1.03 -4.91 117.12 107.29 1ekz n MET 22 Ca 0.00 0.87 -0.42 0.00 0.00 0.00 0.00 57.70 58.16 1ekz n MET 22 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 33.22 30.62 1ekz n MET 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1ekz s THR 23 N -0.64 3.87 -0.93 3.17 2.01 -1.26 -4.33 115.64 117.53 1ekz s THR 23 Ca 0.59 0.69 -0.24 0.00 0.31 0.00 0.00 61.69 63.04 1ekz s THR 23 Cb -0.53 -4.75 0.02 0.00 0.01 0.00 0.00 72.50 67.25 1ekz s THR 23 CO 0.57 -1.50 1.60 -0.69 -0.69 0.00 0.00 174.62 173.91 1ekz s VAL 24 N 5.43 3.73 -0.33 3.82 1.01 -1.26 -2.96 120.40 129.84 1ekz s VAL 24 Ca 0.42 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ekz s VAL 24 Cb -0.08 -4.68 0.08 0.00 0.00 0.00 0.00 36.38 31.69 1ekz s VAL 24 CO 0.22 -1.59 0.04 -1.00 0.00 0.00 0.00 175.10 172.76 1ekz s HIS 25 N 6.75 3.44 0.02 5.22 3.76 -0.41 -5.02 115.29 129.04 1ekz s HIS 25 Ca 0.53 -2.31 -0.18 0.00 -0.15 0.00 0.00 55.06 52.95 1ekz s HIS 25 Cb -0.04 -2.50 -0.06 0.00 1.11 0.00 0.00 32.58 31.10 1ekz s HIS 25 CO -0.03 -0.89 0.51 -0.06 -0.85 0.00 0.00 174.74 173.43 1ekz s PHE 26 N 1.13 3.73 0.14 1.40 0.08 -1.26 -0.22 117.98 122.97 1ekz s PHE 26 Ca 0.00 1.13 -0.02 0.00 0.12 0.00 0.00 56.93 58.17 1ekz s PHE 26 Cb -0.20 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 1ekz s PHE 26 CO -0.04 0.52 0.09 0.15 -0.10 0.00 0.00 175.22 175.84 1ekz s LYS 27 N -0.74 0.98 0.02 0.44 1.02 0.20 -4.96 119.74 116.70 1ekz s LYS 27 Ca 0.27 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.88 1ekz s LYS 27 Cb -0.18 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1ekz s LYS 27 CO 0.16 -0.29 -0.12 0.54 -0.92 0.00 0.00 175.35 174.72 1ekz s VAL 28 N -4.05 0.93 -0.12 3.17 0.11 -1.26 0.80 120.40 119.98 1ekz s VAL 28 Ca 0.25 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1ekz s VAL 28 Cb 0.07 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1ekz s VAL 28 CO 0.02 0.03 -0.10 -0.07 -3.33 0.00 0.00 175.10 171.65 1ekz h LEU 29 N 5.20 0.00 0.00 2.54 3.38 -1.61 -3.46 115.31 121.36 1ekz h LEU 29 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ekz h LEU 29 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ekz h LEU 29 CO 0.45 0.64 0.00 -1.14 0.09 0.00 0.00 178.44 178.48 1ekz n ARG 30 N -4.64 -0.07 -4.11 1.13 0.63 -1.25 -5.07 116.66 103.28 1ekz n ARG 30 Ca -0.04 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.67 1ekz n ARG 30 Cb 0.15 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.02 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 2.85 -0.12 -0.14 1.03 -1.26 -3.11 118.70 115.96 1ekz s GLU 31 Ca 0.00 -1.10 0.10 0.00 0.03 0.00 0.00 54.97 54.00 1ekz s GLU 31 Cb 0.00 -2.52 0.50 0.00 -0.80 0.00 0.00 34.13 31.31 1ekz s GLU 31 CO 0.00 0.38 1.30 0.39 -1.33 0.00 0.00 175.26 176.00 1ekz n GLU 32 N -1.17 3.15 0.00 -4.83 4.71 -1.01 -4.95 120.64 116.55 1ekz n GLU 32 Ca -0.07 -1.92 0.00 0.00 -0.01 0.00 0.00 57.16 55.16 1ekz n GLU 32 Cb 0.58 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1ekz n GLU 32 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ekz n GLY 33 N 0.60 4.49 0.16 0.62 0.00 -1.17 -4.43 105.19 105.46 1ekz n GLY 33 Ca 0.17 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.61 0.13 -1.92 -3.26 132.00 128.55 1ekz h PRO 34 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 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 0.47 -0.72 0.00 -0.23 0.00 0.00 178.00 177.53 1ekz n ALA 35 N -2.29 2.64 -2.42 -0.56 0.00 -1.26 -4.85 120.51 111.78 1ekz n ALA 35 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1ekz n ALA 35 Cb 0.61 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.13 3.74 -1.17 0.00 3.76 -1.26 -4.26 115.29 113.97 1ekz s HIS 36 Ca -0.06 1.14 -0.09 0.00 -0.15 0.00 0.00 55.06 55.90 1ekz s HIS 36 Cb 0.02 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 1ekz s HIS 36 CO 0.08 0.54 0.81 -1.33 -0.85 0.00 0.00 174.74 174.00 1ekz n MET 37 N 2.05 -2.98 -1.56 1.40 2.81 -1.26 -3.62 117.12 113.97 1ekz n MET 37 Ca -0.11 0.65 -0.40 0.00 -1.81 0.00 0.00 57.70 56.03 1ekz n MET 37 Cb 0.51 -5.06 -0.04 0.00 -0.71 0.00 0.00 33.22 27.92 1ekz n MET 37 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ekz n LYS 38 N -3.92 1.93 -4.64 0.03 5.02 -1.23 -3.02 118.16 112.32 1ekz n LYS 38 Ca -0.16 -2.23 -0.31 0.00 -2.02 0.00 0.00 58.31 53.58 1ekz n LYS 38 Cb 0.63 -3.19 -0.12 0.00 -0.02 0.00 0.00 35.03 32.33 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 4.86 3.94 -0.28 4.39 0.01 -1.26 -4.75 114.94 121.86 1ekz s ASN 39 Ca 0.57 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 1ekz s ASN 39 Cb 0.11 -0.70 0.08 0.00 0.41 0.00 0.00 41.25 41.15 1ekz s ASN 39 CO 0.08 0.26 0.02 -0.36 -1.51 0.00 0.00 177.10 175.59 1ekz s PHE 40 N -0.93 2.40 -0.29 2.20 0.08 0.95 -2.39 117.98 119.99 1ekz s PHE 40 Ca 0.15 -1.95 -0.21 0.00 0.12 0.00 0.00 56.93 55.03 1ekz s PHE 40 Cb -0.11 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1ekz s PHE 40 CO 0.05 -0.83 0.68 0.42 -0.10 0.00 0.00 175.22 175.45 1ekz s ILE 41 N 1.39 4.90 -0.08 0.64 1.01 -1.18 0.11 121.20 127.99 1ekz s ILE 41 Ca 0.02 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.71 1ekz s ILE 41 Cb -0.18 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ekz s ILE 41 CO -0.12 -0.14 -0.10 -0.89 0.00 0.00 0.00 174.94 173.69 1ekz s THR 42 N 2.69 3.41 -0.13 2.92 2.01 0.11 -1.48 115.64 125.17 1ekz s THR 42 Ca 0.28 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1ekz s THR 42 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1ekz s THR 42 CO 0.11 0.58 -0.19 0.00 -0.69 0.00 0.00 174.62 174.43 1ekz s ALA 43 N -0.51 2.36 -0.07 7.40 0.00 0.24 0.65 121.76 131.83 1ekz s ALA 43 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1ekz s ALA 43 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1ekz s ALA 43 CO 0.02 0.08 -0.14 0.00 0.00 0.00 0.00 175.76 175.72 1ekz s ILE 45 N -0.42 2.50 -0.23 0.00 -1.16 0.69 0.12 121.20 122.69 1ekz s ILE 45 Ca 0.05 -0.92 -0.01 0.00 -0.51 0.00 0.00 60.65 59.26 1ekz s ILE 45 Cb -0.12 -1.94 0.07 0.00 0.61 0.00 0.00 42.46 41.08 1ekz s ILE 45 CO 0.02 0.57 0.03 -0.69 -2.81 0.00 0.00 174.94 172.06 1ekz s VAL 46 N -0.38 0.87 0.00 4.00 1.01 0.14 -1.29 120.40 124.75 1ekz s VAL 46 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1ekz s VAL 46 Cb -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1ekz s VAL 46 CO 0.02 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1ekz n GLY 47 N 4.90 0.39 0.28 4.51 0.00 -1.16 -1.20 105.19 112.91 1ekz n GLY 47 Ca -0.08 0.62 0.07 0.00 0.00 0.00 0.00 46.02 46.63 1ekz n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ekz n SER 48 N 5.43 1.63 -4.18 1.61 7.64 -1.26 -4.87 113.62 119.62 1ekz n SER 48 Ca 0.00 -2.83 -0.23 0.00 1.01 0.00 0.00 58.87 56.82 1ekz n SER 48 Cb 0.00 -0.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.04 1.35 0.07 0.44 1.09 -0.34 -5.15 121.20 116.62 1ekz s ILE 49 Ca 0.24 -0.96 0.09 0.00 -1.10 0.00 0.00 60.65 58.91 1ekz s ILE 49 Cb 0.22 -1.17 -0.03 0.00 -1.06 0.00 0.00 42.46 40.41 1ekz s ILE 49 CO 0.01 0.19 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.11 1ekz s VAL 50 N -0.68 1.89 -0.04 2.92 1.01 -1.26 0.27 120.40 124.52 1ekz s VAL 50 Ca 0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 1ekz s VAL 50 Cb -0.08 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1ekz s VAL 50 CO 0.01 0.17 0.06 -0.89 0.00 0.00 0.00 175.10 174.45 1ekz s THR 51 N -0.92 -0.09 0.19 3.92 2.01 0.12 -4.99 115.64 115.88 1ekz s THR 51 Ca 0.09 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1ekz s THR 51 Cb -0.10 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1ekz s THR 51 CO 0.03 0.12 0.41 -1.61 -0.69 0.00 0.00 174.62 172.88 1ekz s GLU 52 N 1.53 3.58 -0.11 4.92 2.02 -1.26 -0.18 118.70 129.20 1ekz s GLU 52 Ca -0.04 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.73 1ekz s GLU 52 Cb -0.12 -2.82 0.06 0.00 0.10 0.00 0.00 34.13 31.35 1ekz s GLU 52 CO -0.04 0.41 0.24 0.20 0.02 0.00 0.00 175.26 176.09 1ekz s GLY 53 N -2.84 -0.09 -0.75 -1.39 0.00 0.21 -4.90 107.32 97.56 1ekz s GLY 53 Ca 0.40 0.89 -0.19 0.00 0.00 0.00 0.00 44.72 45.82 1ekz s GLY 53 CO 0.27 1.72 0.90 -0.54 0.00 0.00 0.00 173.10 175.45 1ekz s GLU 54 N 2.08 3.32 0.30 2.90 8.01 -1.26 0.06 118.70 134.11 1ekz s GLU 54 Ca -0.01 -1.54 -0.10 0.00 0.01 0.00 0.00 54.97 53.33 1ekz s GLU 54 Cb -0.12 -4.50 -0.07 0.00 -4.31 0.00 0.00 34.13 25.14 1ekz s GLU 54 CO -0.08 -1.63 0.64 0.20 0.01 0.00 0.00 175.26 174.39 1ekz s GLY 55 N 3.44 2.12 -0.17 -1.39 0.00 0.12 -4.87 107.32 106.56 1ekz s GLY 55 Ca 0.21 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 1ekz s GLY 55 CO -0.00 -0.11 0.00 3.43 0.00 0.00 0.00 173.10 176.42 1ekz h ASN 56 N 2.00 0.00 -2.30 1.64 2.35 -1.83 0.27 115.58 117.70 1ekz h ASN 56 Ca -0.47 -0.23 -0.45 0.00 -0.55 0.00 0.00 56.30 54.60 1ekz h ASN 56 Cb 1.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.56 1ekz h ASN 56 CO 0.67 1.07 -0.26 -0.83 -1.65 0.00 0.00 177.43 176.43 1ekz s GLY 57 N -4.49 1.49 0.34 2.83 0.00 -1.26 -4.28 107.32 101.95 1ekz s GLY 57 Ca -0.21 -1.22 0.09 0.00 0.00 0.00 0.00 44.72 43.39 1ekz s GLY 57 CO 0.38 -1.13 1.82 1.70 0.00 0.00 0.00 173.10 175.87 1ekz h LYS 58 N 0.76 0.65 -0.13 2.90 3.64 -1.98 0.45 116.57 122.86 1ekz h LYS 58 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ekz h LYS 58 Cb 1.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ekz h LYS 58 CO 0.57 0.43 0.00 1.63 -2.27 0.00 0.00 179.45 179.81 1ekz n LYS 59 N -4.64 1.36 -0.05 1.90 4.76 -1.26 -3.87 118.16 116.37 1ekz n LYS 59 Ca 0.21 -0.56 -0.06 0.00 -2.87 0.00 0.00 58.31 55.03 1ekz n LYS 59 Cb 0.58 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.50 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ekz n VAL 60 N -0.12 0.57 0.00 -0.18 0.31 0.15 -4.29 118.33 114.78 1ekz n VAL 60 Ca 0.09 -0.27 -0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ekz n VAL 60 Cb 0.16 -0.84 -0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1ekz n VAL 60 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ekz h SER 61 N 0.00 -0.01 -0.93 4.52 4.64 -1.47 1.12 113.55 121.41 1ekz h SER 61 Ca -0.22 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1ekz h SER 61 Cb 1.40 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.42 1ekz h SER 61 CO -0.02 -0.00 0.57 0.11 -0.87 0.00 0.00 176.83 176.62 1ekz h LYS 62 N -0.01 0.91 0.63 4.77 1.57 -1.87 0.36 116.57 122.94 1ekz h LYS 62 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ekz h LYS 62 Cb 0.01 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.12 1ekz h LYS 62 CO -0.00 0.60 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.96 1ekz h LYS 63 N 0.94 -0.82 -0.97 3.15 3.64 -1.69 0.18 116.57 120.99 1ekz h LYS 63 Ca 0.45 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.98 1ekz h LYS 63 Cb 0.40 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 1ekz h LYS 63 CO -0.25 -0.55 0.62 -0.09 -2.27 0.00 0.00 179.45 176.91 1ekz h ARG 64 N -1.00 1.02 -0.45 1.90 2.43 0.15 0.27 114.38 118.69 1ekz h ARG 64 Ca -0.09 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1ekz h ARG 64 Cb 0.65 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1ekz h ARG 64 CO 0.14 0.67 0.12 0.00 -1.51 0.00 0.00 179.97 179.40 1ekz h ALA 65 N 1.49 0.59 -0.17 2.80 0.00 -0.24 -1.44 119.26 122.29 1ekz h ALA 65 Ca 0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1ekz h ALA 65 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ekz h ALA 65 CO -0.22 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 1ekz h ALA 66 N 0.98 0.23 -0.38 0.00 0.00 0.44 -1.80 119.26 118.73 1ekz h ALA 66 Ca 0.14 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ekz h ALA 66 Cb 0.30 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1ekz h ALA 66 CO -0.00 0.01 0.09 0.93 0.00 0.00 0.00 179.25 180.28 1ekz h GLU 67 N 0.02 0.22 -0.79 0.00 5.08 -0.43 0.84 114.58 119.52 1ekz h GLU 67 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ekz h GLU 67 Cb 0.51 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1ekz h GLU 67 CO 0.02 0.14 0.46 -0.22 -1.00 0.00 0.00 179.01 178.42 1ekz h LYS 68 N 0.22 1.08 -0.55 2.33 3.64 -1.23 -1.74 116.57 120.33 1ekz h LYS 68 Ca 0.18 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1ekz h LYS 68 Cb 0.20 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1ekz h LYS 68 CO -0.22 0.76 0.16 1.98 -2.27 0.00 0.00 179.45 179.86 1ekz h MET 69 N 1.09 0.86 0.10 1.90 4.05 -0.25 -1.64 114.93 121.04 1ekz h MET 69 Ca 0.28 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1ekz h MET 69 Cb -0.03 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1ekz h MET 69 CO -0.05 0.79 -0.05 -0.07 0.23 0.00 0.00 176.91 177.76 1ekz h LEU 70 N 0.76 -0.11 -0.96 3.39 3.38 -0.28 0.33 115.31 121.82 1ekz h LEU 70 Ca 0.17 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ekz h LEU 70 Cb 0.30 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1ekz h LEU 70 CO -0.00 0.05 0.63 -0.37 0.09 0.00 0.00 178.44 178.84 1ekz h VAL 71 N -0.27 1.21 0.05 1.22 -1.51 -1.28 0.14 116.25 115.81 1ekz h VAL 71 Ca -0.01 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1ekz h VAL 71 Cb 0.22 -0.16 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 1ekz h VAL 71 CO 0.02 0.23 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.24 1ekz h GLU 72 N 1.25 -0.07 0.00 5.19 5.08 -1.13 -2.98 114.58 121.93 1ekz h GLU 72 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1ekz h GLU 72 Cb -0.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ekz h GLU 72 CO -0.10 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 1ekz n LEU 73 N -4.88 0.00 0.25 1.33 7.99 0.11 -2.59 117.00 119.22 1ekz n LEU 73 Ca -0.09 0.15 0.15 0.00 -0.01 0.00 0.00 56.01 56.22 1ekz n LEU 73 Cb 0.27 -0.15 0.45 0.00 -0.11 0.00 0.00 43.42 43.87 1ekz n LEU 73 CO 0.32 -0.08 0.91 1.56 -1.51 0.00 0.00 177.39 178.59 1ekz h GLN 74 N 0.00 0.00 0.00 3.23 1.08 -0.55 -3.27 115.11 115.60 1ekz h GLN 74 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1ekz h GLN 74 Cb 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1ekz h GLN 74 CO 0.00 0.00 -1.93 1.63 -0.95 0.00 0.00 178.83 177.58 1ekz n LYS 75 N -3.07 1.62 0.00 1.46 5.02 -1.07 -5.11 118.16 117.02 1ekz n LYS 75 Ca 0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ekz n LYS 75 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16