#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 2.37 0.23 7.83 1.11 -1.26 -5.18 116.67 121.78 1ekz s ASP 2 Ca 0.00 -1.66 0.00 0.00 0.18 0.00 0.00 52.55 51.08 1ekz s ASP 2 Cb 0.00 0.47 -0.04 0.00 1.07 0.00 0.00 42.92 44.42 1ekz s ASP 2 CO 0.00 -0.93 0.13 -0.70 1.18 0.00 0.00 175.17 174.85 1ekz s GLU 3 N -3.70 1.32 2.00 8.23 2.12 -1.26 -5.11 118.70 122.31 1ekz s GLU 3 Ca 0.29 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1ekz s GLU 3 Cb 0.03 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1ekz s GLU 3 CO 0.17 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1ekz n GLY 4 N -0.37 -1.43 3.16 -1.50 0.00 -1.26 -4.94 105.19 98.85 1ekz n GLY 4 Ca 0.02 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 1ekz n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ekz s ASP 5 N -4.00 1.37 -0.25 1.61 -1.08 -1.26 -5.03 116.67 108.02 1ekz s ASP 5 Ca 0.00 -0.75 0.03 0.00 -0.52 0.00 0.00 52.55 51.31 1ekz s ASP 5 Cb 0.00 0.01 0.40 0.00 -1.46 0.00 0.00 42.92 41.86 1ekz s ASP 5 CO 0.00 -0.23 1.52 0.29 0.52 0.00 0.00 175.17 177.26 1ekz n LYS 6 N 0.79 1.83 -2.07 4.34 5.02 -1.26 -4.34 118.16 122.48 1ekz n LYS 6 Ca -0.18 -1.76 -0.28 0.00 -2.02 0.00 0.00 58.31 54.07 1ekz n LYS 6 Cb 0.57 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1ekz n LYS 6 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ekz n LYS 7 N -0.41 3.33 -3.75 1.97 2.85 -1.26 -4.87 118.16 116.01 1ekz n LYS 7 Ca 0.34 -4.09 -0.29 0.00 -1.05 0.00 0.00 58.31 53.22 1ekz n LYS 7 Cb 1.16 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 33.17 1ekz n LYS 7 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ekz n SER 8 N -0.64 3.40 -0.03 -5.58 2.88 -1.26 -4.92 113.62 107.47 1ekz n SER 8 Ca 0.46 -3.26 -0.01 0.00 -1.33 0.00 0.00 58.87 54.74 1ekz n SER 8 Cb 0.74 -0.79 -0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 5.21 -0.03 -0.04 -1.46 0.13 -1.98 -2.94 132.00 130.88 1ekz h PRO 9 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1ekz h PRO 9 Cb 0.74 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ekz h PRO 9 CO 0.77 -0.02 0.01 0.82 -0.23 0.00 0.00 178.00 179.35 1ekz h ILE 10 N -0.87 1.18 0.34 -3.56 1.08 -1.96 -2.06 117.51 111.65 1ekz h ILE 10 Ca -0.00 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1ekz h ILE 10 Cb 0.03 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1ekz h ILE 10 CO 0.01 0.14 -0.26 0.77 -0.69 0.00 0.00 178.15 178.11 1ekz h SER 11 N -0.14 -0.70 -0.95 1.72 4.64 -1.96 -0.83 113.55 115.33 1ekz h SER 11 Ca 0.01 0.05 0.22 0.00 -0.47 0.00 0.00 61.79 61.60 1ekz h SER 11 Cb 0.22 0.22 -0.12 0.00 -0.31 0.00 0.00 62.40 62.41 1ekz h SER 11 CO -0.00 -0.37 0.51 1.56 -0.87 0.00 0.00 176.83 177.65 1ekz h GLN 12 N -0.58 0.53 -0.18 4.77 4.20 -1.59 0.55 115.11 122.81 1ekz h GLN 12 Ca -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1ekz h GLN 12 Cb 0.49 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1ekz h GLN 12 CO 0.01 0.35 0.09 0.28 -0.67 0.00 0.00 178.83 178.89 1ekz h VAL 13 N 0.54 1.00 -0.79 -0.54 2.07 -1.06 0.23 116.25 117.71 1ekz h VAL 13 Ca 0.58 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.99 1ekz h VAL 13 Cb 1.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1ekz h VAL 13 CO -0.47 0.04 0.30 0.45 0.02 0.00 0.00 177.57 177.91 1ekz h HIS 14 N 0.20 1.21 0.16 1.57 3.86 0.71 -0.19 115.15 122.67 1ekz h HIS 14 Ca 0.07 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1ekz h HIS 14 Cb 0.01 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1ekz h HIS 14 CO -0.09 0.92 -0.16 0.93 0.86 0.00 0.00 177.93 180.39 1ekz h GLU 15 N 1.15 -0.34 -0.57 2.45 5.08 0.85 0.33 114.58 123.53 1ekz h GLU 15 Ca 0.26 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1ekz h GLU 15 Cb 0.23 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1ekz h GLU 15 CO -0.02 -0.23 0.29 0.82 -1.00 0.00 0.00 179.01 178.87 1ekz h ILE 16 N -0.36 1.20 -0.54 3.13 2.04 -0.35 1.03 117.51 123.67 1ekz h ILE 16 Ca 0.00 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1ekz h ILE 16 Cb 0.34 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1ekz h ILE 16 CO -0.04 0.22 0.30 1.23 0.00 0.00 0.00 178.15 179.86 1ekz h GLY 17 N 0.77 0.79 1.67 5.37 0.00 -0.69 -2.81 103.07 108.17 1ekz h GLY 17 Ca 0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 1ekz h GLY 17 CO -0.03 0.34 -0.97 -2.22 0.00 0.00 0.00 176.54 173.66 1ekz h ILE 18 N 0.72 1.46 -0.20 2.60 2.04 -0.04 0.28 117.51 124.37 1ekz h ILE 18 Ca 0.19 -2.65 0.06 0.00 1.00 0.00 0.00 64.86 63.46 1ekz h ILE 18 Cb 0.03 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1ekz h ILE 18 CO -0.03 0.78 0.30 0.11 0.00 0.00 0.00 178.15 179.31 1ekz h LYS 19 N 0.15 0.00 0.00 2.37 1.79 0.14 -3.37 116.57 117.65 1ekz h LYS 19 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1ekz h LYS 19 Cb 1.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.27 1ekz h LYS 19 CO 0.16 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.07 1ekz n ARG 20 N -3.49 0.00 0.00 3.15 3.00 -1.17 -5.07 116.66 113.08 1ekz n ARG 20 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1ekz n ARG 20 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 1ekz n ARG 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1ekz n ASN 21 N -1.83 0.00 -4.04 0.55 0.23 -0.86 -5.12 115.26 104.20 1ekz n ASN 21 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.73 1ekz n ASN 21 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 1ekz n ASN 21 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1ekz s MET 22 N 0.00 1.63 -0.16 -3.83 -1.94 0.91 -4.74 119.30 111.17 1ekz s MET 22 Ca 0.00 -1.81 -0.29 0.00 -1.71 0.00 0.00 55.69 51.88 1ekz s MET 22 Cb 0.00 -3.22 -0.06 0.00 2.01 0.00 0.00 34.83 33.56 1ekz s MET 22 CO 0.00 -0.92 2.13 0.99 -0.01 0.00 0.00 175.02 177.22 1ekz s THR 23 N 0.95 3.04 -0.18 2.05 2.01 -1.26 -4.22 115.64 118.04 1ekz s THR 23 Ca 0.09 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1ekz s THR 23 Cb -0.20 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1ekz s THR 23 CO -0.07 -0.03 0.59 0.54 -0.69 0.00 0.00 174.62 174.96 1ekz s VAL 24 N 7.30 5.07 -0.24 3.82 0.11 -1.26 -0.72 120.40 134.48 1ekz s VAL 24 Ca 0.96 1.12 0.01 0.00 -2.93 0.00 0.00 61.98 61.14 1ekz s VAL 24 Cb -0.35 -3.91 0.06 0.00 -1.53 0.00 0.00 36.38 30.66 1ekz s VAL 24 CO 0.36 0.17 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.26 1ekz s HIS 25 N 1.56 2.48 -0.42 1.54 3.76 0.12 -4.95 115.29 119.38 1ekz s HIS 25 Ca 0.28 -1.85 -0.19 0.00 -0.15 0.00 0.00 55.06 53.16 1ekz s HIS 25 Cb -0.16 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.88 1ekz s HIS 25 CO 0.11 -0.79 0.51 -0.06 -0.85 0.00 0.00 174.74 173.66 1ekz s PHE 26 N 1.36 3.13 -0.17 1.40 0.08 -1.26 -1.14 117.98 121.39 1ekz s PHE 26 Ca -0.05 -0.22 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1ekz s PHE 26 Cb -0.19 -3.06 0.08 0.00 -0.57 0.00 0.00 43.02 39.29 1ekz s PHE 26 CO -0.07 -0.75 0.33 0.21 -0.10 0.00 0.00 175.22 174.84 1ekz s LYS 27 N 2.40 0.23 0.49 0.44 2.20 0.10 -5.01 119.74 120.60 1ekz s LYS 27 Ca 0.16 0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 56.34 1ekz s LYS 27 Cb -0.16 -0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 1ekz s LYS 27 CO 0.15 -0.33 1.12 0.28 -0.36 0.00 0.00 175.35 176.21 1ekz n VAL 28 N 5.36 3.02 0.04 4.02 0.31 -1.26 -2.03 118.33 127.80 1ekz n VAL 28 Ca -0.07 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.54 1ekz n VAL 28 Cb 0.50 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 1ekz n VAL 28 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1ekz h LEU 29 N 1.39 0.53 -6.17 7.52 8.10 -1.87 -3.43 115.31 121.38 1ekz h LEU 29 Ca -0.47 -0.94 0.21 0.00 0.11 0.00 0.00 57.88 56.79 1ekz h LEU 29 Cb 1.33 -0.17 -0.23 0.00 -0.44 0.00 0.00 40.66 41.15 1ekz h LEU 29 CO 0.56 1.82 0.20 -0.60 -4.11 0.00 0.00 178.44 176.30 1ekz s ARG 30 N -2.57 0.22 0.46 0.17 3.52 -1.26 -5.08 118.95 114.40 1ekz s ARG 30 Ca -0.19 0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1ekz s ARG 30 Cb 0.06 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1ekz s ARG 30 CO 0.82 -0.16 0.67 -1.21 -0.81 0.00 0.00 175.30 174.61 1ekz s GLU 31 N 2.67 2.99 0.54 5.12 2.02 -1.26 -4.58 118.70 126.20 1ekz s GLU 31 Ca -0.00 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 54.46 1ekz s GLU 31 Cb -0.08 -2.57 0.10 0.00 0.10 0.00 0.00 34.13 31.68 1ekz s GLU 31 CO -0.14 -0.32 0.74 0.39 0.02 0.00 0.00 175.26 175.96 1ekz n GLU 32 N -2.09 0.35 -1.94 1.61 1.02 -1.26 -4.99 120.64 113.34 1ekz n GLU 32 Ca 0.02 -2.42 -0.43 0.00 -0.02 0.00 0.00 57.16 54.31 1ekz n GLU 32 Cb 0.58 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 1ekz n GLU 32 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ekz s GLY 33 N -4.40 0.81 -1.05 0.62 0.00 -1.26 -4.87 107.32 97.17 1ekz s GLY 33 Ca 0.53 0.40 -0.19 0.00 0.00 0.00 0.00 44.72 45.45 1ekz s GLY 33 CO 0.34 3.33 2.01 -1.55 0.00 0.00 0.00 173.10 177.24 1ekz n PRO 34 N 8.38 2.03 0.19 2.90 -0.04 -1.26 -4.04 135.00 143.16 1ekz n PRO 34 Ca 0.24 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1ekz n PRO 34 Cb 0.46 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 7.58 1.63 -3.06 0.55 0.00 -1.26 -5.00 120.51 120.95 1ekz n ALA 35 Ca 0.50 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.50 1ekz n ALA 35 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1ekz n ALA 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ekz n HIS 36 N -3.47 4.37 -3.34 0.00 8.25 -1.26 -4.83 115.22 114.94 1ekz n HIS 36 Ca 0.00 -3.39 -0.24 0.00 -0.26 0.00 0.00 57.72 53.84 1ekz n HIS 36 Cb 0.00 -1.78 0.02 0.00 1.12 0.00 0.00 29.99 29.35 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 3.36 -1.51 -4.34 -0.41 0.00 -1.26 -5.00 117.12 107.95 1ekz n MET 37 Ca 0.30 1.33 -0.23 0.00 -0.00 0.00 0.00 57.70 59.10 1ekz n MET 37 Cb 0.39 -2.10 -0.11 0.00 0.00 0.00 0.00 33.22 31.39 1ekz n MET 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1ekz s LYS 38 N -1.99 1.29 0.25 2.12 -0.14 -1.26 -5.12 119.74 114.90 1ekz s LYS 38 Ca 0.24 -1.39 -0.04 0.00 -1.36 0.00 0.00 55.97 53.42 1ekz s LYS 38 Cb -0.03 -1.43 -0.05 0.00 -1.68 0.00 0.00 37.83 34.64 1ekz s LYS 38 CO 0.60 0.30 0.51 -0.80 -0.76 0.00 0.00 175.35 175.19 1ekz s ASN 39 N -2.55 6.45 -0.29 2.83 -0.87 -1.26 -4.74 114.94 114.51 1ekz s ASN 39 Ca 0.15 0.66 -0.06 0.00 -1.57 0.00 0.00 52.86 52.04 1ekz s ASN 39 Cb -0.07 -2.12 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1ekz s ASN 39 CO 0.07 -0.13 0.06 -0.36 -2.57 0.00 0.00 177.10 174.16 1ekz s PHE 40 N -1.98 3.14 -0.47 2.20 0.08 0.12 -4.23 117.98 116.84 1ekz s PHE 40 Ca 0.43 -1.09 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 1ekz s PHE 40 Cb -0.11 -2.22 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 1ekz s PHE 40 CO 0.28 -0.60 0.47 0.42 -0.10 0.00 0.00 175.22 175.69 1ekz s ILE 41 N 1.47 5.09 -0.01 0.64 1.09 -1.26 -3.27 121.20 124.94 1ekz s ILE 41 Ca 0.02 -0.68 -0.12 0.00 -1.10 0.00 0.00 60.65 58.76 1ekz s ILE 41 Cb -0.17 -4.15 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 1ekz s ILE 41 CO 0.01 -0.60 0.35 -0.89 -0.10 0.00 0.00 174.94 173.71 1ekz s THR 42 N 2.08 5.15 -0.00 2.92 2.01 -0.30 -3.57 115.64 123.92 1ekz s THR 42 Ca 0.10 0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1ekz s THR 42 Cb -0.21 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1ekz s THR 42 CO 0.10 0.55 -0.01 0.00 -0.69 0.00 0.00 174.62 174.57 1ekz s ALA 43 N -1.12 3.23 0.01 7.40 0.00 -0.86 0.27 121.76 130.69 1ekz s ALA 43 Ca 0.23 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1ekz s ALA 43 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1ekz s ALA 43 CO 0.12 0.64 0.07 0.00 0.00 0.00 0.00 175.76 176.59 1ekz s ILE 45 N -1.37 1.23 -0.28 0.00 2.07 -0.29 -0.01 121.20 122.54 1ekz s ILE 45 Ca -0.15 -1.26 -0.03 0.00 -1.41 0.00 0.00 60.65 57.79 1ekz s ILE 45 Cb -0.08 -1.15 0.10 0.00 0.13 0.00 0.00 42.46 41.46 1ekz s ILE 45 CO 0.01 -0.13 0.12 0.68 -1.91 0.00 0.00 174.94 173.71 1ekz s VAL 46 N -1.13 0.15 0.00 4.00 -7.23 0.14 0.11 120.40 116.43 1ekz s VAL 46 Ca 0.01 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1ekz s VAL 46 Cb -0.09 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1ekz s VAL 46 CO 0.02 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 1ekz n GLY 47 N 5.16 0.88 0.26 2.32 0.00 0.10 -1.76 105.19 112.15 1ekz n GLY 47 Ca -0.05 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.49 1ekz n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ekz n SER 48 N 3.57 1.02 -4.26 1.61 3.41 -1.26 -4.78 113.62 112.93 1ekz n SER 48 Ca 0.00 -2.33 -0.28 0.00 -0.26 0.00 0.00 58.87 56.01 1ekz n SER 48 Cb 0.00 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1ekz n SER 48 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ekz s ILE 49 N -1.15 1.79 0.10 -1.33 -1.09 -0.72 -5.14 121.20 113.65 1ekz s ILE 49 Ca 0.12 -1.09 0.10 0.00 -2.23 0.00 0.00 60.65 57.55 1ekz s ILE 49 Cb 0.11 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 1ekz s ILE 49 CO 0.01 0.39 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.18 1ekz s VAL 50 N -0.65 2.44 -0.14 2.92 1.01 -1.26 0.23 120.40 124.95 1ekz s VAL 50 Ca 0.09 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.19 1ekz s VAL 50 Cb -0.09 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.31 1ekz s VAL 50 CO 0.00 0.16 0.79 -0.89 0.00 0.00 0.00 175.10 175.17 1ekz s THR 51 N -1.03 0.00 0.48 3.92 2.01 0.99 -4.99 115.64 117.02 1ekz s THR 51 Ca 0.15 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1ekz s THR 51 Cb -0.10 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1ekz s THR 51 CO 0.06 0.00 0.04 -1.83 -0.69 0.00 0.00 174.62 172.20 1ekz s GLU 52 N -0.75 2.11 -0.05 4.92 1.03 -1.26 0.75 118.70 125.44 1ekz s GLU 52 Ca -0.06 -2.33 -0.02 0.00 0.03 0.00 0.00 54.97 52.60 1ekz s GLU 52 Cb -0.01 -1.27 0.04 0.00 -0.80 0.00 0.00 34.13 32.08 1ekz s GLU 52 CO 0.05 -0.38 0.10 0.20 -1.33 0.00 0.00 175.26 173.90 1ekz s GLY 53 N -3.79 0.04 -0.35 -3.83 0.00 0.14 -4.49 107.32 95.04 1ekz s GLY 53 Ca 0.12 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.35 1ekz s GLY 53 CO 0.07 1.01 1.87 -1.84 0.00 0.00 0.00 173.10 174.22 1ekz n GLU 54 N 4.43 1.90 -1.63 2.90 0.00 -1.26 -1.15 120.64 125.82 1ekz n GLU 54 Ca -0.22 -1.85 -0.38 0.00 0.00 0.00 0.00 57.16 54.71 1ekz n GLU 54 Cb 0.51 -1.72 0.05 0.00 0.00 0.00 0.00 31.44 30.27 1ekz n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ekz n GLY 55 N -0.07 -0.17 0.13 -1.84 0.00 -1.20 -4.73 105.19 97.31 1ekz n GLY 55 Ca 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 1ekz n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ekz h ASN 56 N 0.71 -0.38 -1.59 1.61 4.21 -1.88 -2.21 115.58 116.05 1ekz h ASN 56 Ca -0.48 0.03 -0.53 0.00 1.21 0.00 0.00 56.30 56.53 1ekz h ASN 56 Cb 1.35 0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.62 1ekz h ASN 56 CO 0.52 -0.18 -0.45 -0.83 -1.29 0.00 0.00 177.43 175.21 1ekz s GLY 57 N -1.30 2.20 0.40 2.83 0.00 -1.26 0.16 107.32 110.35 1ekz s GLY 57 Ca -0.05 -1.98 0.15 0.00 0.00 0.00 0.00 44.72 42.85 1ekz s GLY 57 CO 0.16 -1.80 1.86 0.50 0.00 0.00 0.00 173.10 173.82 1ekz h LYS 58 N 1.26 0.46 -0.03 2.90 1.57 -1.88 0.72 116.57 121.57 1ekz h LYS 58 Ca -0.42 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1ekz h LYS 58 Cb 1.26 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ekz h LYS 58 CO 0.64 0.30 0.13 0.87 -0.57 0.00 0.00 179.45 180.82 1ekz h LYS 59 N 0.47 0.00 0.00 3.15 1.57 -1.96 -3.01 116.57 116.79 1ekz h LYS 59 Ca 0.46 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.11 1ekz h LYS 59 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1ekz h LYS 59 CO -0.19 0.00 -1.50 0.28 -0.57 0.00 0.00 179.45 177.48 1ekz n VAL 60 N -3.20 0.50 -0.15 0.50 0.31 0.15 -4.49 118.33 111.95 1ekz n VAL 60 Ca -0.02 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 1ekz n VAL 60 Cb 0.20 -0.92 -0.09 0.00 -0.91 0.00 0.00 33.84 32.12 1ekz n VAL 60 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ekz h SER 61 N -0.05 -1.66 -0.69 4.52 0.87 0.30 0.91 113.55 117.75 1ekz h SER 61 Ca -0.20 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1ekz h SER 61 Cb 1.29 0.68 -0.03 0.00 -0.44 0.00 0.00 62.40 63.90 1ekz h SER 61 CO -0.05 -0.33 0.33 0.50 -0.53 0.00 0.00 176.83 176.75 1ekz h LYS 62 N -0.31 0.99 -0.07 2.24 3.64 -1.79 -1.47 116.57 119.80 1ekz h LYS 62 Ca 0.07 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ekz h LYS 62 Cb 0.50 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ekz h LYS 62 CO -0.55 0.78 0.02 0.87 -2.27 0.00 0.00 179.45 178.29 1ekz h LYS 63 N 0.96 0.12 -0.64 1.90 1.57 -1.57 0.71 116.57 119.62 1ekz h LYS 63 Ca 0.24 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1ekz h LYS 63 Cb 0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1ekz h LYS 63 CO -0.03 0.32 0.37 -0.09 -0.57 0.00 0.00 179.45 179.45 1ekz h ARG 64 N -0.10 0.68 -0.19 3.15 9.65 0.95 -1.44 114.38 127.07 1ekz h ARG 64 Ca 0.02 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 1ekz h ARG 64 Cb 0.26 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1ekz h ARG 64 CO 0.00 0.45 -0.12 0.00 2.80 0.00 0.00 179.97 183.11 1ekz h ALA 65 N 1.31 0.27 0.42 2.80 0.00 -1.15 -2.41 119.26 120.51 1ekz h ALA 65 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ekz h ALA 65 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ekz h ALA 65 CO -0.15 0.13 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 1ekz h ALA 66 N 0.68 -1.09 -0.53 0.00 0.00 -0.51 -0.80 119.26 117.00 1ekz h ALA 66 Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1ekz h ALA 66 Cb 0.62 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1ekz h ALA 66 CO 0.03 -1.07 0.01 0.93 0.00 0.00 0.00 179.25 179.15 1ekz h GLU 67 N -0.65 0.12 -0.91 0.00 4.39 -1.39 0.84 114.58 116.98 1ekz h GLU 67 Ca -0.06 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.79 1ekz h GLU 67 Cb 0.52 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1ekz h GLU 67 CO 0.05 0.08 0.59 -0.22 -1.16 0.00 0.00 179.01 178.34 1ekz h LYS 68 N 0.12 0.69 0.23 2.33 3.64 -1.31 0.21 116.57 122.48 1ekz h LYS 68 Ca 0.27 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ekz h LYS 68 Cb 0.42 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ekz h LYS 68 CO -0.44 0.45 -0.11 0.52 -2.27 0.00 0.00 179.45 177.60 1ekz h MET 69 N 0.71 -0.30 -0.90 1.90 2.86 0.67 -2.34 114.93 117.51 1ekz h MET 69 Ca 0.47 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.18 1ekz h MET 69 Cb 0.75 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1ekz h MET 69 CO -0.22 0.01 0.57 -0.07 1.06 0.00 0.00 176.91 178.26 1ekz h LEU 70 N -0.63 0.92 -1.52 1.22 4.07 -0.72 0.35 115.31 119.00 1ekz h LEU 70 Ca -0.03 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.01 1ekz h LEU 70 Cb 0.45 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 1ekz h LEU 70 CO 0.05 0.60 0.42 0.58 -1.08 0.00 0.00 178.44 179.01 1ekz h VAL 71 N 1.06 0.96 0.00 1.22 2.07 -0.48 0.38 116.25 121.46 1ekz h VAL 71 Ca 0.39 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1ekz h VAL 71 Cb 0.13 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1ekz h VAL 71 CO -0.16 0.10 -0.33 -0.33 0.02 0.00 0.00 177.57 176.87 1ekz h GLU 72 N 0.56 0.00 -0.70 1.57 5.08 -0.50 -3.36 114.58 117.24 1ekz h GLU 72 Ca 0.28 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.79 1ekz h GLU 72 Cb 0.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1ekz h GLU 72 CO -0.09 0.16 0.47 -0.07 -1.00 0.00 0.00 179.01 178.49 1ekz h LEU 73 N -1.00 0.30 -1.88 1.33 4.07 -0.34 0.26 115.31 118.04 1ekz h LEU 73 Ca -0.03 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1ekz h LEU 73 Cb 0.41 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1ekz h LEU 73 CO -0.02 0.15 0.05 0.00 -1.08 0.00 0.00 178.44 177.55 1ekz n GLN 74 N -4.45 1.56 0.00 1.13 1.13 0.13 -3.29 117.38 113.59 1ekz n GLN 74 Ca 0.13 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 1ekz n GLN 74 Cb 0.55 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1ekz n GLN 74 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ekz n LYS 75 N 0.14 1.68 0.00 -1.09 4.81 0.89 -5.00 118.16 119.60 1ekz n LYS 75 Ca 0.08 -0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1ekz n LYS 75 Cb 0.56 -0.26 0.09 0.00 0.02 0.00 0.00 35.03 35.45 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85