#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 0.80 0.00 6.12 5.68 -1.26 -4.96 116.55 122.93 1ekz n ASP 2 Ca 0.00 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1ekz n ASP 2 Cb 0.00 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 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 -3.26 0.00 -1.30 0.11 4.71 -1.26 -4.58 120.64 115.06 1ekz n GLU 3 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.74 1ekz n GLU 3 Cb 0.11 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.51 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 3.60 3.54 0.62 0.00 -1.26 -4.89 105.19 106.80 1ekz n GLY 4 Ca 0.00 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 5.73 1.98 -1.68 1.61 2.03 -1.26 -4.07 116.55 120.89 1ekz n ASP 5 Ca 0.55 -0.40 -0.06 0.00 0.52 0.00 0.00 54.79 55.40 1ekz n ASP 5 Cb 0.32 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 8.92 -0.28 -3.91 -0.67 3.00 -1.26 -4.93 118.16 119.03 1ekz n LYS 6 Ca 0.42 0.19 -0.23 0.00 -0.00 0.00 0.00 58.31 58.68 1ekz n LYS 6 Cb 0.46 -0.31 -0.05 0.00 0.00 0.00 0.00 35.03 35.13 1ekz n LYS 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ekz s LYS 7 N -0.84 2.34 -0.39 1.64 -0.14 -1.26 -5.09 119.74 115.99 1ekz s LYS 7 Ca 0.05 -1.75 -0.17 0.00 -1.36 0.00 0.00 55.97 52.73 1ekz s LYS 7 Cb -0.00 -2.13 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 1ekz s LYS 7 CO 0.13 -0.19 0.44 0.45 -0.76 0.00 0.00 175.35 175.43 1ekz s SER 8 N -4.01 6.21 0.05 2.83 0.15 -1.26 -4.93 113.70 112.73 1ekz s SER 8 Ca 0.43 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.46 1ekz s SER 8 Cb 0.01 -2.23 -0.26 0.00 -1.71 0.00 0.00 66.02 61.83 1ekz s SER 8 CO 0.24 -0.52 1.12 1.55 1.20 0.00 0.00 173.24 176.84 1ekz h PRO 9 N 8.64 0.61 -0.92 5.44 0.13 -2.00 -3.29 132.00 140.61 1ekz h PRO 9 Ca -0.27 -0.74 0.20 0.00 -0.87 0.00 0.00 66.00 64.31 1ekz h PRO 9 Cb 1.12 0.23 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 1ekz h PRO 9 CO 0.77 1.32 0.48 0.82 -0.23 0.00 0.00 178.00 181.16 1ekz h ILE 10 N 0.24 0.60 0.45 -3.56 2.04 -1.93 0.49 117.51 115.83 1ekz h ILE 10 Ca -0.15 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ekz h ILE 10 Cb 1.75 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1ekz h ILE 10 CO 0.21 0.10 -0.48 0.77 0.00 0.00 0.00 178.15 178.75 1ekz h SER 11 N 0.56 -1.32 -0.22 1.72 4.64 -1.99 0.41 113.55 117.36 1ekz h SER 11 Ca 0.55 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.94 1ekz h SER 11 Cb 0.95 0.44 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1ekz h SER 11 CO -0.45 -0.62 0.04 1.56 -0.87 0.00 0.00 176.83 176.49 1ekz h GLN 12 N -0.93 0.45 -0.17 4.77 4.20 -1.43 -0.73 115.11 121.28 1ekz h GLN 12 Ca -0.06 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1ekz h GLN 12 Cb 0.81 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1ekz h GLN 12 CO -0.07 0.45 -0.02 0.28 -0.67 0.00 0.00 178.83 178.80 1ekz h VAL 13 N 0.45 0.86 -0.68 -0.54 2.07 0.63 0.50 116.25 119.53 1ekz h VAL 13 Ca 0.10 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1ekz h VAL 13 Cb 0.23 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1ekz h VAL 13 CO 0.00 0.01 0.24 0.45 0.02 0.00 0.00 177.57 178.29 1ekz h HIS 14 N 0.03 1.08 0.02 1.57 3.86 -0.49 0.21 115.15 121.43 1ekz h HIS 14 Ca 0.08 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1ekz h HIS 14 Cb 0.11 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ekz h HIS 14 CO -0.18 0.85 -0.08 0.93 0.86 0.00 0.00 177.93 180.32 1ekz h GLU 15 N 0.99 -0.15 -0.51 2.45 5.08 0.02 0.20 114.58 122.66 1ekz h GLU 15 Ca 0.22 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1ekz h GLU 15 Cb 0.26 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ekz h GLU 15 CO -0.01 -0.10 -0.09 -0.84 -1.00 0.00 0.00 179.01 176.97 1ekz h ILE 16 N -0.15 1.26 0.23 3.13 3.07 0.13 0.44 117.51 125.63 1ekz h ILE 16 Ca 0.03 -1.20 -0.01 0.00 1.55 0.00 0.00 64.86 65.22 1ekz h ILE 16 Cb 0.18 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 1ekz h ILE 16 CO -0.07 0.42 -0.11 1.23 -1.05 0.00 0.00 178.15 178.57 1ekz h GLY 17 N 0.97 -0.33 1.08 0.16 0.00 -0.56 0.68 103.07 105.06 1ekz h GLY 17 Ca 0.14 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1ekz h GLY 17 CO 0.04 -0.12 0.06 -2.22 0.00 0.00 0.00 176.54 174.30 1ekz h ILE 18 N -0.36 1.27 -0.23 2.60 2.04 -0.51 0.80 117.51 123.12 1ekz h ILE 18 Ca -0.03 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1ekz h ILE 18 Cb 0.27 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1ekz h ILE 18 CO 0.05 0.41 -0.30 0.11 0.00 0.00 0.00 178.15 178.42 1ekz h LYS 19 N 1.02 0.47 -0.61 2.37 6.56 0.16 -2.72 116.57 123.83 1ekz h LYS 19 Ca 0.19 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1ekz h LYS 19 Cb 0.50 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1ekz h LYS 19 CO 0.02 0.73 0.00 0.54 -2.06 0.00 0.00 179.45 178.68 1ekz n ARG 20 N -4.09 2.96 -3.76 3.15 1.74 0.23 -4.92 116.66 111.97 1ekz n ARG 20 Ca -0.01 -2.16 -0.27 0.00 -0.77 0.00 0.00 57.85 54.64 1ekz n ARG 20 Cb 0.44 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.24 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ekz n ASN 21 N 0.87 -5.36 -4.44 0.55 5.15 -0.54 -4.97 115.26 106.52 1ekz n ASN 21 Ca 0.20 -0.67 -0.33 0.00 -0.60 0.00 0.00 54.58 53.17 1ekz n ASN 21 Cb 0.67 -4.42 -0.13 0.00 -0.53 0.00 0.00 39.78 35.37 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 -6.45 3.37 0.17 1.20 -1.94 0.27 -5.01 119.30 110.92 1ekz s MET 22 Ca 0.60 -0.62 -0.31 0.00 -1.71 0.00 0.00 55.69 53.65 1ekz s MET 22 Cb -0.29 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 33.76 1ekz s MET 22 CO 0.78 0.29 1.47 0.99 -0.01 0.00 0.00 175.02 178.54 1ekz s THR 23 N 0.18 2.86 -0.42 2.05 2.01 -1.26 -4.17 115.64 116.89 1ekz s THR 23 Ca -0.05 0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1ekz s THR 23 Cb -0.15 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.08 1ekz s THR 23 CO 0.04 0.07 0.22 -0.69 -0.69 0.00 0.00 174.62 173.57 1ekz s VAL 24 N 0.78 1.28 -0.53 3.82 1.01 -1.24 -0.40 120.40 125.12 1ekz s VAL 24 Ca 0.65 -2.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.12 1ekz s VAL 24 Cb -0.41 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.19 1ekz s VAL 24 CO 0.34 -0.87 0.46 -1.00 0.00 0.00 0.00 175.10 174.03 1ekz s HIS 25 N 0.54 3.33 -0.59 5.22 3.76 0.76 -4.91 115.29 123.40 1ekz s HIS 25 Ca 0.17 -1.51 -0.24 0.00 -0.15 0.00 0.00 55.06 53.32 1ekz s HIS 25 Cb -0.24 -3.70 0.05 0.00 1.11 0.00 0.00 32.58 29.80 1ekz s HIS 25 CO -0.02 -1.01 0.97 -0.06 -0.85 0.00 0.00 174.74 173.77 1ekz s PHE 26 N 1.46 2.73 0.02 1.40 0.40 -1.26 0.30 117.98 123.03 1ekz s PHE 26 Ca 0.04 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1ekz s PHE 26 Cb -0.28 -4.17 -0.02 0.00 0.51 0.00 0.00 43.02 39.07 1ekz s PHE 26 CO 0.01 -1.47 -0.07 0.21 0.70 0.00 0.00 175.22 174.60 1ekz s LYS 27 N 4.11 0.49 0.28 0.44 2.20 -0.14 -4.99 119.74 122.13 1ekz s LYS 27 Ca 0.29 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.43 1ekz s LYS 27 Cb -0.13 -0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 35.82 1ekz s LYS 27 CO 0.17 0.08 0.34 0.08 -0.36 0.00 0.00 175.35 175.66 1ekz s VAL 28 N -0.89 4.48 0.00 4.02 1.01 -1.26 -0.46 120.40 127.30 1ekz s VAL 28 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1ekz s VAL 28 Cb -0.07 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1ekz s VAL 28 CO 0.00 -0.26 0.00 0.18 0.00 0.00 0.00 175.10 175.02 1ekz n LEU 29 N -1.42 0.00 0.00 3.92 4.32 -1.26 -4.90 117.00 117.66 1ekz n LEU 29 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1ekz n LEU 29 Cb 0.58 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1ekz n LEU 29 CO 0.43 -0.31 0.00 0.54 -1.22 0.00 0.00 177.39 176.84 1ekz n ARG 30 N -2.11 0.00 -0.58 3.23 1.74 -1.26 -5.17 116.66 112.50 1ekz n ARG 30 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1ekz n ARG 30 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1ekz n ARG 30 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ekz n GLU 31 N -0.30 -1.49 -1.63 5.56 4.07 -1.26 -4.56 120.64 121.03 1ekz n GLU 31 Ca 0.00 1.17 -0.32 0.00 -0.06 0.00 0.00 57.16 57.95 1ekz n GLU 31 Cb 0.00 -1.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.83 1ekz n GLU 31 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ekz n GLU 32 N -2.16 3.43 -0.12 5.31 1.02 -1.26 -4.73 120.64 122.12 1ekz n GLU 32 Ca -0.01 -2.66 -0.06 0.00 -0.02 0.00 0.00 57.16 54.42 1ekz n GLU 32 Cb 0.20 -2.40 0.01 0.00 -0.02 0.00 0.00 31.44 29.23 1ekz n GLU 32 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ekz h GLY 33 N 5.07 0.03 -1.36 0.62 0.00 -1.76 -3.36 103.07 102.32 1ekz h GLY 33 Ca 0.55 0.29 -0.51 0.00 0.00 0.00 0.00 47.33 47.66 1ekz h GLY 33 CO 1.16 -0.20 0.41 2.56 0.00 0.00 0.00 176.54 180.46 1ekz s PRO 34 N -6.11 3.42 0.00 4.80 0.04 -1.26 -3.72 135.00 132.17 1ekz s PRO 34 Ca -0.14 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ekz s PRO 34 Cb 0.15 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ekz s PRO 34 CO 0.70 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 177.03 1ekz n ALA 35 N -2.85 0.00 -3.12 8.56 0.00 -1.26 -4.77 120.51 117.07 1ekz n ALA 35 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1ekz n ALA 35 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 1ekz n ALA 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ekz s HIS 36 N 0.00 -0.20 -0.14 0.00 5.65 -1.26 -4.99 115.29 114.34 1ekz s HIS 36 Ca 0.00 0.48 -0.03 0.00 0.25 0.00 0.00 55.06 55.76 1ekz s HIS 36 Cb 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 1ekz s HIS 36 CO 0.00 -0.17 0.17 -0.12 -0.65 0.00 0.00 174.74 173.97 1ekz n MET 37 N 2.58 -0.56 -1.58 2.88 0.00 -1.26 -4.52 117.12 114.67 1ekz n MET 37 Ca -0.15 0.89 -0.42 0.00 -0.00 0.00 0.00 57.70 58.02 1ekz n MET 37 Cb 0.58 -2.64 -0.02 0.00 0.00 0.00 0.00 33.22 31.14 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 -0.67 2.39 -4.33 2.12 5.02 -1.24 -3.74 118.16 117.71 1ekz n LYS 38 Ca 0.02 -2.37 -0.21 0.00 -2.02 0.00 0.00 58.31 53.73 1ekz n LYS 38 Cb 0.23 -3.18 -0.16 0.00 -0.02 0.00 0.00 35.03 31.90 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 3.92 1.18 -0.35 4.39 -0.87 -1.26 -4.69 114.94 117.25 1ekz s ASN 39 Ca 0.51 -0.18 0.03 0.00 -1.57 0.00 0.00 52.86 51.65 1ekz s ASN 39 Cb 0.13 -0.47 0.10 0.00 -0.02 0.00 0.00 41.25 41.00 1ekz s ASN 39 CO -0.01 0.01 0.08 -0.36 -2.57 0.00 0.00 177.10 174.26 1ekz s PHE 40 N 0.57 3.20 -0.20 2.20 0.08 0.98 -4.35 117.98 120.46 1ekz s PHE 40 Ca -0.09 -2.72 -0.29 0.00 0.12 0.00 0.00 56.93 53.95 1ekz s PHE 40 Cb -0.12 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1ekz s PHE 40 CO 0.01 -0.91 1.38 0.42 -0.10 0.00 0.00 175.22 176.01 1ekz s ILE 41 N 0.95 4.07 -0.18 0.64 1.09 -1.26 -1.88 121.20 124.63 1ekz s ILE 41 Ca 0.11 1.26 -0.14 0.00 -1.10 0.00 0.00 60.65 60.78 1ekz s ILE 41 Cb -0.19 -3.93 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 1ekz s ILE 41 CO -0.11 -0.24 0.29 -0.89 -0.10 0.00 0.00 174.94 173.89 1ekz s THR 42 N 4.07 5.30 -0.34 2.92 2.01 0.76 -4.05 115.64 126.31 1ekz s THR 42 Ca 0.60 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 1ekz s THR 42 Cb -0.22 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1ekz s THR 42 CO 0.21 0.36 0.15 0.00 -0.69 0.00 0.00 174.62 174.65 1ekz s ALA 43 N 0.67 3.17 -0.29 7.40 0.00 0.39 0.51 121.76 133.62 1ekz s ALA 43 Ca 0.16 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 1ekz s ALA 43 Cb -0.13 -2.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1ekz s ALA 43 CO 0.04 -1.22 0.08 0.00 0.00 0.00 0.00 175.76 174.67 1ekz s ILE 45 N 1.53 4.92 0.25 0.00 1.01 0.15 0.27 121.20 129.33 1ekz s ILE 45 Ca 0.04 1.67 0.02 0.00 0.00 0.00 0.00 60.65 62.38 1ekz s ILE 45 Cb -0.17 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1ekz s ILE 45 CO 0.03 0.10 0.41 -0.69 0.00 0.00 0.00 174.94 174.80 1ekz s VAL 46 N 1.63 5.21 -0.24 2.92 1.01 0.31 -0.17 120.40 131.06 1ekz s VAL 46 Ca 0.41 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1ekz s VAL 46 Cb -0.18 -3.82 -0.30 0.00 0.00 0.00 0.00 36.38 32.09 1ekz s VAL 46 CO 0.16 -0.33 1.68 0.61 0.00 0.00 0.00 175.10 177.22 1ekz n GLY 47 N -1.24 1.21 0.00 4.51 0.00 0.47 -1.84 105.19 108.30 1ekz n GLY 47 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 8.33 0.00 0.00 1.61 7.64 -1.26 -4.76 113.62 125.18 1ekz n SER 48 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1ekz n SER 48 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1ekz n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ekz n ILE 49 N 0.00 0.00 -4.05 0.44 5.41 -0.77 -5.18 119.36 115.21 1ekz n ILE 49 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1ekz n ILE 49 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 1ekz n ILE 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ekz s VAL 50 N -1.41 0.44 -0.21 1.39 0.11 -1.26 0.11 120.40 119.56 1ekz s VAL 50 Ca 0.00 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1ekz s VAL 50 Cb 0.00 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1ekz s VAL 50 CO 0.00 -0.44 -0.13 0.42 -3.33 0.00 0.00 175.10 171.62 1ekz s THR 51 N -1.53 2.43 0.13 5.04 -4.23 0.14 -4.88 115.64 112.74 1ekz s THR 51 Ca -0.10 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.20 1ekz s THR 51 Cb -0.09 -2.15 -0.07 0.00 1.34 0.00 0.00 72.50 71.53 1ekz s THR 51 CO -0.00 0.36 0.62 -1.61 -0.54 0.00 0.00 174.62 173.44 1ekz s GLU 52 N 1.29 4.20 -0.30 3.99 2.02 -1.26 -1.36 118.70 127.28 1ekz s GLU 52 Ca 0.02 0.76 -0.00 0.00 0.02 0.00 0.00 54.97 55.76 1ekz s GLU 52 Cb -0.15 -3.10 0.10 0.00 0.10 0.00 0.00 34.13 31.08 1ekz s GLU 52 CO -0.09 0.55 0.08 0.20 0.02 0.00 0.00 175.26 176.02 1ekz s GLY 53 N -1.36 1.15 -1.19 -1.39 0.00 0.18 -4.80 107.32 99.92 1ekz s GLY 53 Ca 0.34 -1.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.16 1ekz s GLY 53 CO 0.20 1.50 1.90 1.18 0.00 0.00 0.00 173.10 177.88 1ekz n GLU 54 N 4.79 1.97 -2.59 2.90 1.02 -1.26 -0.17 120.64 127.29 1ekz n GLU 54 Ca -0.02 -2.60 -0.31 0.00 -0.02 0.00 0.00 57.16 54.21 1ekz n GLU 54 Cb 0.42 -3.61 -0.03 0.00 -0.02 0.00 0.00 31.44 28.20 1ekz n GLU 54 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ekz s GLY 55 N 5.81 1.93 0.31 0.62 0.00 -0.79 -4.84 107.32 110.36 1ekz s GLY 55 Ca 0.64 -0.07 0.25 0.00 0.00 0.00 0.00 44.72 45.54 1ekz s GLY 55 CO 0.12 0.15 1.75 3.43 0.00 0.00 0.00 173.10 178.55 1ekz h ASN 56 N 0.93 0.00 0.00 1.64 4.21 -1.14 0.28 115.58 121.50 1ekz h ASN 56 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1ekz h ASN 56 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 1ekz h ASN 56 CO 0.63 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.38 1ekz n GLY 57 N -0.21 1.53 0.14 2.83 0.00 0.49 -4.20 105.19 105.76 1ekz n GLY 57 Ca 0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 1ekz n GLY 57 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ekz h LYS 58 N 0.00 0.13 0.14 1.61 1.63 -1.96 -3.30 116.57 114.82 1ekz h LYS 58 Ca 0.00 -0.10 -0.25 0.00 -0.85 0.00 0.00 60.65 59.45 1ekz h LYS 58 Cb 0.00 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1ekz h LYS 58 CO 0.00 0.75 -1.21 0.87 -3.45 0.00 0.00 179.45 176.41 1ekz h LYS 59 N 0.09 0.29 -3.57 1.90 1.79 -1.98 -3.47 116.57 111.62 1ekz h LYS 59 Ca -0.01 -0.50 -0.17 0.00 -2.18 0.00 0.00 60.65 57.80 1ekz h LYS 59 Cb 1.19 0.18 -0.23 0.00 -1.58 0.00 0.00 32.23 31.80 1ekz h LYS 59 CO 0.10 1.24 -0.55 0.08 -1.08 0.00 0.00 179.45 179.23 1ekz s VAL 60 N -2.47 0.06 0.00 0.50 1.01 -1.24 -4.94 120.40 113.32 1ekz s VAL 60 Ca -0.17 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1ekz s VAL 60 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1ekz s VAL 60 CO 0.80 -0.28 0.00 -1.54 0.00 0.00 0.00 175.10 174.09 1ekz n SER 61 N 1.99 0.00 -0.13 3.32 3.41 -1.26 0.18 113.62 121.13 1ekz n SER 61 Ca -0.20 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1ekz n SER 61 Cb 0.57 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.98 1ekz n SER 61 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ekz h LYS 62 N 0.00 0.48 -0.22 4.33 1.57 -1.91 0.26 116.57 121.08 1ekz h LYS 62 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ekz h LYS 62 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1ekz h LYS 62 CO 0.00 0.32 0.05 -0.22 -0.57 0.00 0.00 179.45 179.02 1ekz h LYS 63 N 0.49 0.36 -0.44 3.15 3.64 -1.96 0.20 116.57 122.01 1ekz h LYS 63 Ca 0.31 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1ekz h LYS 63 Cb 0.56 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1ekz h LYS 63 CO -0.10 0.49 0.19 -0.09 -2.27 0.00 0.00 179.45 177.67 1ekz h ARG 64 N 0.17 0.65 -0.50 1.90 9.65 -1.52 0.20 114.38 124.94 1ekz h ARG 64 Ca 0.07 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1ekz h ARG 64 Cb 0.29 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1ekz h ARG 64 CO 0.00 0.58 0.33 0.00 2.80 0.00 0.00 179.97 183.69 1ekz h ALA 65 N 1.03 0.63 -0.80 2.80 0.00 -0.86 -1.78 119.26 120.28 1ekz h ALA 65 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ekz h ALA 65 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ekz h ALA 65 CO -0.01 0.08 0.42 0.00 0.00 0.00 0.00 179.25 179.73 1ekz h ALA 66 N 1.18 1.22 -0.93 0.00 0.00 -0.15 -2.25 119.26 118.33 1ekz h ALA 66 Ca 0.18 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1ekz h ALA 66 Cb -0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.31 1ekz h ALA 66 CO -0.04 0.62 0.56 0.93 0.00 0.00 0.00 179.25 181.32 1ekz h GLU 67 N 1.13 0.87 0.49 0.00 5.08 0.26 0.18 114.58 122.59 1ekz h GLU 67 Ca 0.28 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1ekz h GLU 67 Cb 0.07 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ekz h GLU 67 CO -0.04 0.57 -0.23 0.87 -1.00 0.00 0.00 179.01 179.18 1ekz h LYS 68 N 0.89 -0.63 -0.51 2.33 1.79 -1.04 0.10 116.57 119.50 1ekz h LYS 68 Ca 0.46 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 59.08 1ekz h LYS 68 Cb 0.47 0.14 -0.10 0.00 -1.58 0.00 0.00 32.23 31.16 1ekz h LYS 68 CO -0.27 -0.33 -0.17 0.52 -1.08 0.00 0.00 179.45 178.13 1ekz h MET 69 N -1.00 -0.05 -0.08 3.15 2.86 -1.02 0.33 114.93 119.12 1ekz h MET 69 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ekz h MET 69 Cb 0.59 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ekz h MET 69 CO 0.11 -0.03 0.01 -0.07 1.06 0.00 0.00 176.91 177.99 1ekz h LEU 70 N -0.05 0.14 -0.80 1.22 -0.00 -0.66 -0.75 115.31 114.40 1ekz h LEU 70 Ca 0.24 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 1ekz h LEU 70 Cb 0.42 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1ekz h LEU 70 CO -0.55 0.38 0.04 1.62 -0.00 0.00 0.00 178.44 179.93 1ekz h VAL 71 N -0.11 1.25 0.30 1.22 3.04 -0.45 -1.43 116.25 120.08 1ekz h VAL 71 Ca 0.02 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.66 1ekz h VAL 71 Cb 0.30 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ekz h VAL 71 CO 0.00 0.38 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.46 1ekz h GLU 72 N 0.88 -0.39 -0.03 4.17 3.07 -0.33 -3.05 114.58 118.90 1ekz h GLU 72 Ca 0.17 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1ekz h GLU 72 Cb 0.46 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1ekz h GLU 72 CO 0.02 -0.06 0.08 -0.07 -1.40 0.00 0.00 179.01 177.58 1ekz h LEU 73 N -0.89 0.00 -1.43 1.33 3.38 -1.15 0.61 115.31 117.18 1ekz h LEU 73 Ca -0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1ekz h LEU 73 Cb 0.52 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ekz h LEU 73 CO 0.07 0.00 0.51 0.06 0.09 0.00 0.00 178.44 179.17 1ekz h GLN 74 N 0.00 0.59 -1.29 1.13 -0.00 -1.13 -3.35 115.11 111.06 1ekz h GLN 74 Ca 0.01 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.46 1ekz h GLN 74 Cb 0.17 -0.13 -0.22 0.00 -0.00 0.00 0.00 27.48 27.29 1ekz h GLN 74 CO -0.00 0.39 -0.53 0.15 -0.00 0.00 0.00 178.83 178.84 1ekz s LYS 75 N -5.57 0.80 0.00 0.06 1.02 0.17 -5.13 119.74 111.09 1ekz s LYS 75 Ca -0.09 -0.55 0.30 0.00 0.02 0.00 0.00 55.97 55.65 1ekz s LYS 75 Cb 0.21 -0.17 1.79 0.00 -0.52 0.00 0.00 37.83 39.14 1ekz s LYS 75 CO 0.77 -1.21 2.12 1.28 -0.92 0.00 0.00 175.35 177.40