#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 1.64 0.26 7.83 1.11 -1.26 -5.15 116.67 121.10 1ekz s ASP 2 Ca 0.00 -0.29 0.08 0.00 0.18 0.00 0.00 52.55 52.53 1ekz s ASP 2 Cb 0.00 -0.17 -0.04 0.00 1.07 0.00 0.00 42.92 43.78 1ekz s ASP 2 CO 0.00 0.15 0.09 -0.70 1.18 0.00 0.00 175.17 175.89 1ekz s GLU 3 N -0.46 2.59 0.00 8.23 2.12 -1.26 -5.10 118.70 124.81 1ekz s GLU 3 Ca 0.05 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.13 1ekz s GLU 3 Cb -0.06 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 31.98 1ekz s GLU 3 CO -0.00 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1ekz n GLY 4 N -1.03 -1.25 3.12 -1.50 0.00 -1.26 -5.17 105.19 98.10 1ekz n GLY 4 Ca -0.07 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 1.24 1.75 -4.44 1.61 -0.08 -1.26 -5.04 116.55 110.34 1ekz n ASP 5 Ca 0.00 -2.26 -0.44 0.00 -1.51 0.00 0.00 54.79 50.59 1ekz n ASP 5 Cb 0.00 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.11 1ekz n ASP 5 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1ekz s LYS 6 N -4.08 3.28 -0.89 -0.67 3.01 -1.26 -4.92 119.74 114.21 1ekz s LYS 6 Ca 0.47 -1.26 -0.06 0.00 -1.01 0.00 0.00 55.97 54.11 1ekz s LYS 6 Cb -0.04 -4.48 -0.06 0.00 -1.01 0.00 0.00 37.83 32.24 1ekz s LYS 6 CO 0.30 -1.75 2.15 1.63 0.51 0.00 0.00 175.35 178.18 1ekz n LYS 7 N 7.03 2.09 -3.13 1.68 5.02 -1.26 -4.44 118.16 125.15 1ekz n LYS 7 Ca 0.05 -1.43 -0.20 0.00 -2.02 0.00 0.00 58.31 54.71 1ekz n LYS 7 Cb 0.46 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.01 1ekz n LYS 7 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ekz n SER 8 N 4.10 -0.04 -0.03 4.39 2.88 -1.26 -4.95 113.62 118.72 1ekz n SER 8 Ca 0.44 -2.88 -0.15 0.00 -1.33 0.00 0.00 58.87 54.95 1ekz n SER 8 Cb 0.15 -0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 63.21 1ekz n SER 8 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ekz h PRO 9 N 3.68 0.25 0.05 -1.46 0.13 -1.97 -3.20 132.00 129.47 1ekz h PRO 9 Ca 0.05 -0.23 -0.37 0.00 -0.87 0.00 0.00 66.00 64.59 1ekz h PRO 9 Cb 0.93 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1ekz h PRO 9 CO 0.44 0.91 -2.10 -0.89 -0.23 0.00 0.00 178.00 176.13 1ekz n ILE 10 N -4.47 1.61 0.02 -3.56 5.41 -1.26 -3.83 119.36 113.29 1ekz n ILE 10 Ca -0.09 -0.47 -0.14 0.00 1.00 0.00 0.00 62.75 63.04 1ekz n ILE 10 Cb 0.50 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.63 1ekz n ILE 10 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1ekz h SER 11 N -0.32 -1.50 -0.93 4.38 0.87 -1.93 0.71 113.55 114.83 1ekz h SER 11 Ca -0.50 0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1ekz h SER 11 Cb 1.80 0.59 -0.06 0.00 -0.44 0.00 0.00 62.40 64.29 1ekz h SER 11 CO -0.10 -0.47 0.60 1.56 -0.53 0.00 0.00 176.83 177.88 1ekz h GLN 12 N -0.58 1.12 -0.80 2.24 4.20 -1.78 0.68 115.11 120.20 1ekz h GLN 12 Ca 0.05 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1ekz h GLN 12 Cb 0.67 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1ekz h GLN 12 CO -0.39 0.74 0.50 0.28 -0.67 0.00 0.00 178.83 179.29 1ekz h VAL 13 N 1.15 1.09 -0.35 -0.54 2.07 -1.40 0.22 116.25 118.50 1ekz h VAL 13 Ca 0.38 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1ekz h VAL 13 Cb 0.03 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1ekz h VAL 13 CO -0.13 0.17 -0.18 0.45 0.02 0.00 0.00 177.57 177.91 1ekz h HIS 14 N 0.96 0.72 0.40 1.57 3.86 0.20 0.27 115.15 123.12 1ekz h HIS 14 Ca 0.33 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1ekz h HIS 14 Cb 0.06 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ekz h HIS 14 CO -0.03 0.78 -0.19 1.49 0.86 0.00 0.00 177.93 180.84 1ekz h GLU 15 N 0.58 -0.51 -0.43 2.45 4.22 0.11 0.40 114.58 121.39 1ekz h GLU 15 Ca 0.09 0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.44 1ekz h GLU 15 Cb 0.63 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1ekz h GLU 15 CO 0.04 -0.30 -0.22 -0.84 -2.18 0.00 0.00 179.01 175.51 1ekz h ILE 16 N -0.60 1.27 0.22 2.32 -0.00 -0.56 -3.14 117.51 117.02 1ekz h ILE 16 Ca -0.05 -1.36 -0.01 0.00 -0.00 0.00 0.00 64.86 63.44 1ekz h ILE 16 Cb 0.45 1.17 0.00 0.00 -0.00 0.00 0.00 36.82 38.44 1ekz h ILE 16 CO 0.09 0.46 -0.10 1.23 -0.00 0.00 0.00 178.15 179.83 1ekz h GLY 17 N 0.93 -0.30 -5.10 0.16 0.00 -0.34 -2.52 103.07 95.90 1ekz h GLY 17 Ca 0.10 0.11 -0.67 0.00 0.00 0.00 0.00 47.33 46.87 1ekz h GLY 17 CO 0.06 -0.11 3.79 1.39 0.00 0.00 0.00 176.54 181.67 1ekz n ILE 18 N -5.17 4.23 0.05 2.60 2.08 0.14 -1.31 119.36 121.98 1ekz n ILE 18 Ca -0.09 -2.62 0.00 0.00 0.56 0.00 0.00 62.75 60.60 1ekz n ILE 18 Cb 0.17 -2.62 0.00 0.00 -0.75 0.00 0.00 39.64 36.45 1ekz n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1ekz n LYS 19 N 3.84 0.00 -1.06 0.38 4.81 -1.14 -4.87 118.16 120.12 1ekz n LYS 19 Ca 0.76 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.97 1ekz n LYS 19 Cb 0.25 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.41 1ekz n LYS 19 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1ekz n ARG 20 N -2.63 2.15 -3.55 1.64 0.63 -0.96 -4.88 116.66 109.06 1ekz n ARG 20 Ca 0.00 -2.51 -0.22 0.00 -0.92 0.00 0.00 57.85 54.21 1ekz n ARG 20 Cb 0.00 -1.98 0.05 0.00 0.45 0.00 0.00 32.46 30.98 1ekz n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ekz n ASN 21 N -0.66 -3.51 -4.23 6.15 3.02 -1.25 -5.00 115.26 109.79 1ekz n ASN 21 Ca 0.49 -0.81 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 1ekz n ASN 21 Cb 1.10 -4.32 -0.17 0.00 -0.61 0.00 0.00 39.78 35.79 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ekz s MET 22 N -5.52 2.67 -0.68 3.52 -1.94 -0.43 -4.85 119.30 112.08 1ekz s MET 22 Ca 0.22 -0.86 -0.24 0.00 -1.71 0.00 0.00 55.69 53.10 1ekz s MET 22 Cb -0.05 -2.15 0.06 0.00 2.01 0.00 0.00 34.83 34.70 1ekz s MET 22 CO 0.80 0.27 1.05 0.95 -0.01 0.00 0.00 175.02 178.08 1ekz s THR 23 N 0.09 4.16 -0.74 2.05 -4.23 -1.26 -4.17 115.64 111.54 1ekz s THR 23 Ca -0.10 -0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.01 1ekz s THR 23 Cb -0.15 -4.75 -0.02 0.00 1.34 0.00 0.00 72.50 68.92 1ekz s THR 23 CO 0.06 -1.56 1.81 -0.69 -0.54 0.00 0.00 174.62 173.69 1ekz s VAL 24 N 4.52 3.45 -0.76 2.29 1.01 -1.26 -3.69 120.40 125.97 1ekz s VAL 24 Ca 0.26 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1ekz s VAL 24 Cb -0.14 -4.13 0.20 0.00 0.00 0.00 0.00 36.38 32.31 1ekz s VAL 24 CO 0.12 -1.08 0.63 1.41 0.00 0.00 0.00 175.10 176.18 1ekz n HIS 25 N 12.57 3.55 -1.22 5.22 8.25 -0.32 -5.00 115.22 138.26 1ekz n HIS 25 Ca 0.26 -4.21 -0.31 0.00 -0.26 0.00 0.00 57.72 53.19 1ekz n HIS 25 Cb 0.50 -0.76 0.10 0.00 1.12 0.00 0.00 29.99 30.95 1ekz n HIS 25 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ekz s PHE 26 N -1.63 2.52 0.02 4.41 0.08 -1.26 -0.92 117.98 121.19 1ekz s PHE 26 Ca 0.28 1.56 -0.27 0.00 0.12 0.00 0.00 56.93 58.62 1ekz s PHE 26 Cb -0.02 -3.07 0.09 0.00 -0.57 0.00 0.00 43.02 39.45 1ekz s PHE 26 CO -0.13 -1.88 1.22 0.36 -0.10 0.00 0.00 175.22 174.69 1ekz n LYS 27 N -3.58 0.27 -4.16 0.44 2.85 0.29 -4.88 118.16 109.40 1ekz n LYS 27 Ca 0.09 -0.90 -0.16 0.00 -1.05 0.00 0.00 58.31 56.29 1ekz n LYS 27 Cb 0.53 1.41 -0.11 0.00 -0.65 0.00 0.00 35.03 36.20 1ekz n LYS 27 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ekz s VAL 28 N -2.03 0.95 -0.22 0.58 1.01 -1.26 -0.05 120.40 119.38 1ekz s VAL 28 Ca 0.28 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1ekz s VAL 28 Cb -0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 36.38 35.13 1ekz s VAL 28 CO 0.01 -0.39 -0.09 0.18 0.00 0.00 0.00 175.10 174.81 1ekz n LEU 29 N 1.01 1.89 0.00 3.92 4.77 -0.20 -4.85 117.00 123.55 1ekz n LEU 29 Ca -0.19 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1ekz n LEU 29 Cb 0.56 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1ekz n LEU 29 CO 0.23 0.23 0.00 -1.14 -1.33 0.00 0.00 177.39 175.38 1ekz n ARG 30 N -4.40 0.00 -0.23 3.23 0.63 -1.26 -5.03 116.66 109.61 1ekz n ARG 30 Ca -0.35 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.65 1ekz n ARG 30 Cb 0.68 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.78 1ekz n ARG 30 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1ekz n GLU 31 N -0.06 2.86 -0.15 -0.14 0.00 -1.26 -3.70 120.64 118.20 1ekz n GLU 31 Ca 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 57.16 54.98 1ekz n GLU 31 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 31.44 30.09 1ekz n GLU 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ekz n GLU 32 N 0.71 -0.31 -2.52 3.44 4.07 -1.26 -4.00 120.64 120.77 1ekz n GLU 32 Ca 0.14 0.20 -0.43 0.00 -0.06 0.00 0.00 57.16 57.02 1ekz n GLU 32 Cb 0.48 -0.37 -0.02 0.00 -0.06 0.00 0.00 31.44 31.47 1ekz n GLU 32 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1ekz s GLY 33 N -6.06 1.71 -0.56 8.31 0.00 -1.26 -4.97 107.32 104.48 1ekz s GLY 33 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 44.72 44.80 1ekz s GLY 33 CO 0.00 2.35 1.46 2.56 0.00 0.00 0.00 173.10 179.47 1ekz s PRO 34 N 3.29 3.24 0.14 2.90 0.04 -1.26 -4.63 135.00 138.72 1ekz s PRO 34 Ca 0.51 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1ekz s PRO 34 Cb -0.19 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1ekz s PRO 34 CO 0.12 -2.01 0.00 0.00 0.04 0.00 0.00 177.00 175.15 1ekz n ALA 35 N 9.85 1.53 -3.74 8.56 0.00 -1.26 -5.07 120.51 130.38 1ekz n ALA 35 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1ekz n ALA 35 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.35 1.81 -0.09 0.00 3.76 -1.26 -4.99 115.29 113.16 1ekz s HIS 36 Ca 0.00 -1.87 -0.06 0.00 -0.15 0.00 0.00 55.06 52.98 1ekz s HIS 36 Cb 0.00 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1ekz s HIS 36 CO 0.00 -0.87 0.13 -0.12 -0.85 0.00 0.00 174.74 173.03 1ekz n MET 37 N 4.66 -3.27 -3.88 1.40 0.00 -1.26 -5.09 117.12 109.68 1ekz n MET 37 Ca -0.00 2.59 -0.22 0.00 -0.00 0.00 0.00 57.70 60.07 1ekz n MET 37 Cb 0.41 -3.68 -0.05 0.00 0.00 0.00 0.00 33.22 29.90 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 1.19 0.93 -4.03 2.12 4.76 -1.26 -5.06 118.16 116.81 1ekz n LYS 38 Ca -0.22 -2.64 -0.17 0.00 -2.87 0.00 0.00 58.31 52.40 1ekz n LYS 38 Cb 0.34 0.99 -0.16 0.00 -1.84 0.00 0.00 35.03 34.36 1ekz n LYS 38 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1ekz s ASN 39 N -2.97 0.56 -0.71 4.39 0.01 -1.22 -4.53 114.94 110.47 1ekz s ASN 39 Ca 0.06 -0.06 -0.07 0.00 -0.71 0.00 0.00 52.86 52.07 1ekz s ASN 39 Cb 0.00 -0.25 0.19 0.00 0.41 0.00 0.00 41.25 41.60 1ekz s ASN 39 CO 0.04 -0.06 0.58 -0.36 -1.51 0.00 0.00 177.10 175.80 1ekz s PHE 40 N 0.75 3.55 -0.64 2.20 0.40 0.99 -4.01 117.98 121.22 1ekz s PHE 40 Ca -0.08 -2.42 -0.27 0.00 -0.60 0.00 0.00 56.93 53.56 1ekz s PHE 40 Cb -0.11 -3.46 -0.00 0.00 0.51 0.00 0.00 43.02 39.96 1ekz s PHE 40 CO -0.01 -0.90 1.63 0.42 0.70 0.00 0.00 175.22 177.06 1ekz s ILE 41 N 0.01 3.52 0.09 0.64 -1.09 -1.24 -2.13 121.20 121.00 1ekz s ILE 41 Ca 0.17 0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.81 1ekz s ILE 41 Cb -0.16 -4.30 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 1ekz s ILE 41 CO -0.06 -1.23 0.43 -0.89 -1.23 0.00 0.00 174.94 171.96 1ekz s THR 42 N 7.64 5.04 0.09 2.92 2.01 -0.59 -1.03 115.64 131.72 1ekz s THR 42 Ca 0.56 0.55 0.02 0.00 0.31 0.00 0.00 61.69 63.13 1ekz s THR 42 Cb -0.11 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1ekz s THR 42 CO 0.20 0.30 -0.08 0.00 -0.69 0.00 0.00 174.62 174.35 1ekz s ALA 43 N -1.39 0.98 -0.19 7.40 0.00 0.92 0.46 121.76 129.94 1ekz s ALA 43 Ca 0.33 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 1ekz s ALA 43 Cb -0.14 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.17 1ekz s ALA 43 CO 0.18 -0.15 0.41 0.00 0.00 0.00 0.00 175.76 176.20 1ekz s ILE 45 N 2.46 5.26 -0.13 0.00 2.07 -0.09 0.41 121.20 131.18 1ekz s ILE 45 Ca -0.02 0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1ekz s ILE 45 Cb -0.12 -3.33 0.05 0.00 0.13 0.00 0.00 42.46 39.19 1ekz s ILE 45 CO -0.13 0.55 0.04 -0.69 -1.91 0.00 0.00 174.94 172.80 1ekz s VAL 46 N -0.44 0.27 -1.38 4.00 1.01 0.15 -1.17 120.40 122.84 1ekz s VAL 46 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1ekz s VAL 46 Cb -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1ekz s VAL 46 CO 0.02 -0.02 1.04 0.61 0.00 0.00 0.00 175.10 176.74 1ekz n GLY 47 N 5.16 -0.47 3.40 4.51 0.00 -1.25 -1.65 105.19 114.89 1ekz n GLY 47 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.98 0.00 -4.64 1.61 7.64 -1.26 -4.97 113.62 109.02 1ekz n SER 48 Ca -0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.39 1ekz n SER 48 Cb 0.58 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.36 4.60 0.24 0.44 1.01 -0.66 -5.01 121.20 121.46 1ekz s ILE 49 Ca 0.00 1.68 0.06 0.00 0.00 0.00 0.00 60.65 62.39 1ekz s ILE 49 Cb 0.00 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1ekz s ILE 49 CO 0.00 -0.38 0.24 0.54 0.00 0.00 0.00 174.94 175.34 1ekz s VAL 50 N 3.44 4.67 0.02 2.92 0.11 -1.26 0.33 120.40 130.63 1ekz s VAL 50 Ca 0.43 -1.28 0.08 0.00 -2.93 0.00 0.00 61.98 58.28 1ekz s VAL 50 Cb -0.13 -3.52 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1ekz s VAL 50 CO 0.13 -0.33 -0.23 0.28 -3.33 0.00 0.00 175.10 171.61 1ekz s THR 51 N -2.08 1.88 -0.12 5.04 -1.32 0.17 -4.92 115.64 114.28 1ekz s THR 51 Ca 0.33 -1.17 -0.03 0.00 -1.21 0.00 0.00 61.69 59.61 1ekz s THR 51 Cb -0.08 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.28 1ekz s THR 51 CO 0.26 0.38 -0.02 -1.61 -2.21 0.00 0.00 174.62 171.42 1ekz s GLU 52 N -0.93 3.37 -0.40 7.08 8.01 -1.26 -1.45 118.70 133.12 1ekz s GLU 52 Ca 0.09 -0.48 0.01 0.00 0.01 0.00 0.00 54.97 54.61 1ekz s GLU 52 Cb -0.09 -2.86 0.12 0.00 -4.31 0.00 0.00 34.13 26.99 1ekz s GLU 52 CO 0.01 0.44 0.19 0.20 0.01 0.00 0.00 175.26 176.10 1ekz s GLY 53 N -0.16 1.53 -1.08 -1.39 0.00 0.17 -4.79 107.32 101.61 1ekz s GLY 53 Ca 0.04 -2.34 -0.24 0.00 0.00 0.00 0.00 44.72 42.18 1ekz s GLY 53 CO 0.02 1.51 1.99 -0.54 0.00 0.00 0.00 173.10 176.08 1ekz s GLU 54 N 0.74 2.28 0.17 2.90 2.02 -1.26 -1.55 118.70 124.00 1ekz s GLU 54 Ca 0.15 -0.77 -0.22 0.00 0.02 0.00 0.00 54.97 54.15 1ekz s GLU 54 Cb -0.22 -5.14 -0.08 0.00 0.10 0.00 0.00 34.13 28.79 1ekz s GLU 54 CO -0.07 -4.07 0.72 0.20 0.02 0.00 0.00 175.26 172.06 1ekz s GLY 55 N 7.38 2.78 0.00 -1.39 0.00 -0.90 -4.91 107.32 110.27 1ekz s GLY 55 Ca 0.72 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1ekz s GLY 55 CO 0.10 0.68 0.85 -2.01 0.00 0.00 0.00 173.10 172.72 1ekz n ASN 56 N 1.33 0.00 0.00 1.64 4.05 -1.12 -0.01 115.26 121.15 1ekz n ASN 56 Ca -0.05 0.91 0.00 0.00 0.45 0.00 0.00 54.58 55.89 1ekz n ASN 56 Cb 0.50 -0.48 0.00 0.00 1.23 0.00 0.00 39.78 41.03 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 -0.58 2.94 4.75 8.20 0.00 -1.07 -1.23 105.19 118.20 1ekz n GLY 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ekz n GLY 57 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ekz n LYS 58 N -0.34 0.00 -0.09 1.61 0.00 -1.26 -4.17 118.16 113.91 1ekz n LYS 58 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 1ekz n LYS 58 Cb 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 35.03 34.66 1ekz n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ekz n LYS 59 N 0.00 0.63 -4.25 1.64 5.02 -1.26 -4.99 118.16 114.95 1ekz n LYS 59 Ca 0.00 0.36 -0.21 0.00 -2.02 0.00 0.00 58.31 56.44 1ekz n LYS 59 Cb 0.00 -1.64 -0.12 0.00 -0.02 0.00 0.00 35.03 33.25 1ekz n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ekz s VAL 60 N -2.47 1.31 0.00 -0.18 1.01 -1.26 -4.94 120.40 113.86 1ekz s VAL 60 Ca -0.31 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1ekz s VAL 60 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1ekz s VAL 60 CO 0.60 -0.12 0.00 -0.24 0.00 0.00 0.00 175.10 175.34 1ekz n SER 61 N 1.35 0.00 -0.26 3.32 2.88 -1.26 -2.61 113.62 117.03 1ekz n SER 61 Ca -0.20 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.29 1ekz n SER 61 Cb 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1ekz n SER 61 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1ekz h LYS 62 N 0.00 1.00 0.39 -1.46 6.56 -1.89 -0.13 116.57 121.04 1ekz h LYS 62 Ca 0.00 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1ekz h LYS 62 Cb 0.00 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.45 1ekz h LYS 62 CO 0.00 0.73 -0.27 -0.22 -2.06 0.00 0.00 179.45 177.63 1ekz h LYS 63 N 1.00 -0.62 -0.47 3.15 3.64 -1.92 -0.05 116.57 121.30 1ekz h LYS 63 Ca 0.26 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1ekz h LYS 63 Cb 0.01 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1ekz h LYS 63 CO -0.04 -0.41 0.27 -0.09 -2.27 0.00 0.00 179.45 176.90 1ekz h ARG 64 N -0.64 0.52 -0.62 1.90 9.65 -1.87 0.47 114.38 123.79 1ekz h ARG 64 Ca -0.04 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1ekz h ARG 64 Cb 0.54 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 1ekz h ARG 64 CO 0.02 0.34 0.34 0.00 2.80 0.00 0.00 179.97 183.47 1ekz h ALA 65 N 1.22 0.81 -0.19 2.80 0.00 -0.77 -1.80 119.26 121.33 1ekz h ALA 65 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1ekz h ALA 65 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ekz h ALA 65 CO -0.10 0.01 -0.49 0.00 0.00 0.00 0.00 179.25 178.67 1ekz h ALA 66 N 1.32 0.32 -0.12 0.00 0.00 -0.43 -2.70 119.26 117.65 1ekz h ALA 66 Ca 0.27 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ekz h ALA 66 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1ekz h ALA 66 CO -0.17 0.49 -0.30 0.93 0.00 0.00 0.00 179.25 180.20 1ekz h GLU 67 N 0.37 -0.36 -0.52 0.00 5.08 0.35 0.37 114.58 119.86 1ekz h GLU 67 Ca -0.01 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1ekz h GLU 67 Cb 1.10 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1ekz h GLU 67 CO 0.11 -0.24 0.31 -0.22 -1.00 0.00 0.00 179.01 177.96 1ekz h LYS 68 N -0.38 0.59 0.24 2.33 3.64 -1.39 0.36 116.57 121.96 1ekz h LYS 68 Ca 0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ekz h LYS 68 Cb 0.52 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ekz h LYS 68 CO -0.34 0.39 -0.12 1.98 -2.27 0.00 0.00 179.45 179.10 1ekz h MET 69 N 0.60 -0.32 -0.55 1.90 4.05 -0.98 -1.44 114.93 118.20 1ekz h MET 69 Ca 0.21 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1ekz h MET 69 Cb 0.04 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1ekz h MET 69 CO -0.10 -0.18 0.36 -0.07 0.23 0.00 0.00 176.91 177.14 1ekz h LEU 70 N -0.37 0.61 -1.08 3.39 3.38 -0.04 0.19 115.31 121.40 1ekz h LEU 70 Ca -0.03 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1ekz h LEU 70 Cb 0.28 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1ekz h LEU 70 CO 0.06 0.44 0.62 0.58 0.09 0.00 0.00 178.44 180.22 1ekz h VAL 71 N 0.73 0.91 0.02 1.22 2.07 -0.05 0.48 116.25 121.62 1ekz h VAL 71 Ca 0.20 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ekz h VAL 71 Cb -0.07 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 1ekz h VAL 71 CO -0.05 0.17 -0.01 -0.08 0.02 0.00 0.00 177.57 177.62 1ekz h GLU 72 N 0.93 -0.03 0.00 1.57 4.57 -0.45 -3.33 114.58 117.84 1ekz h GLU 72 Ca 0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.65 1ekz h GLU 72 Cb 0.53 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ekz h GLU 72 CO -0.25 0.45 -0.06 1.37 -1.18 0.00 0.00 179.01 179.34 1ekz h LEU 73 N -0.99 0.00 0.00 1.64 8.10 -0.50 -1.40 115.31 122.16 1ekz h LEU 73 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ekz h LEU 73 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1ekz h LEU 73 CO 0.00 0.06 0.00 0.00 -4.11 0.00 0.00 178.44 174.39 1ekz n GLN 74 N -3.73 0.81 -0.01 0.17 1.13 0.17 -2.88 117.38 113.04 1ekz n GLN 74 Ca -0.02 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.11 1ekz n GLN 74 Cb 0.16 -1.16 -0.11 0.00 0.11 0.00 0.00 30.24 29.24 1ekz n GLN 74 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ekz n LYS 75 N -0.66 0.85 0.00 -1.09 5.02 -0.53 -5.05 118.16 116.70 1ekz n LYS 75 Ca 0.06 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1ekz n LYS 75 Cb 0.03 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16