#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 0.70 -3.50 7.83 9.92 -1.26 -4.96 116.55 125.29 1ekz n ASP 2 Ca 0.00 -2.32 -0.37 0.00 -0.53 0.00 0.00 54.79 51.56 1ekz n ASP 2 Cb 0.00 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 1ekz n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ekz n GLU 3 N -0.39 2.43 0.00 -1.24 4.71 -1.26 -4.68 120.64 120.22 1ekz n GLU 3 Ca 0.05 -2.05 0.00 0.00 -0.01 0.00 0.00 57.16 55.15 1ekz n GLU 3 Cb 0.70 -2.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 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 4.06 2.95 0.00 0.62 0.00 -1.26 -5.18 105.19 106.38 1ekz n GLY 4 Ca 0.55 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1ekz n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ekz n ASP 5 N 0.00 0.41 0.00 1.61 5.75 -1.26 -5.06 116.55 118.00 1ekz n ASP 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ekz n ASP 5 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ekz n ASP 5 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ekz n LYS 6 N 0.00 0.00 -3.28 0.11 4.81 -1.26 -5.07 118.16 113.47 1ekz n LYS 6 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.98 1ekz n LYS 6 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1ekz n LYS 6 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ekz s LYS 7 N 0.00 3.30 -0.81 1.64 3.01 -1.26 -4.96 119.74 120.65 1ekz s LYS 7 Ca 0.00 -2.00 0.02 0.00 -1.01 0.00 0.00 55.97 52.97 1ekz s LYS 7 Cb 0.00 -4.38 0.25 0.00 -1.01 0.00 0.00 37.83 32.69 1ekz s LYS 7 CO 0.00 -1.36 0.92 -1.13 0.51 0.00 0.00 175.35 174.29 1ekz n SER 8 N 4.86 4.46 0.06 2.83 3.41 -1.26 -4.89 113.62 123.09 1ekz n SER 8 Ca 0.01 -3.35 -0.03 0.00 -0.26 0.00 0.00 58.87 55.24 1ekz n SER 8 Cb 0.44 -0.91 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 1ekz n SER 8 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ekz h PRO 9 N 4.99 -0.18 -0.65 4.33 0.13 -1.99 -2.10 132.00 136.52 1ekz h PRO 9 Ca 0.19 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 1ekz h PRO 9 Cb 0.69 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1ekz h PRO 9 CO 0.95 -0.12 0.29 0.82 -0.23 0.00 0.00 178.00 179.71 1ekz h ILE 10 N -0.52 1.23 0.36 -3.56 1.08 -1.93 -1.40 117.51 112.77 1ekz h ILE 10 Ca -0.02 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1ekz h ILE 10 Cb 0.15 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1ekz h ILE 10 CO 0.03 0.27 -0.41 0.28 -0.69 0.00 0.00 178.15 177.63 1ekz h SER 11 N 0.91 -1.15 -0.87 1.72 0.02 -1.94 0.15 113.55 112.39 1ekz h SER 11 Ca 0.22 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 61.39 1ekz h SER 11 Cb 0.16 0.39 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 1ekz h SER 11 CO -0.02 -0.53 0.49 1.56 -1.14 0.00 0.00 176.83 177.19 1ekz h GLN 12 N -0.79 0.72 -0.91 3.45 4.20 -1.32 0.62 115.11 121.09 1ekz h GLN 12 Ca -0.04 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1ekz h GLN 12 Cb 0.69 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 1ekz h GLN 12 CO -0.08 0.48 0.58 0.28 -0.67 0.00 0.00 178.83 179.42 1ekz h VAL 13 N 0.75 1.13 -0.35 -0.54 2.07 -0.67 0.28 116.25 118.92 1ekz h VAL 13 Ca 0.45 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1ekz h VAL 13 Cb 0.54 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ekz h VAL 13 CO -0.31 0.20 -0.29 0.45 0.02 0.00 0.00 177.57 177.65 1ekz h HIS 14 N 1.12 0.95 -0.73 1.57 3.86 0.21 0.40 115.15 122.54 1ekz h HIS 14 Ca 0.37 -0.27 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1ekz h HIS 14 Cb 0.04 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 1ekz h HIS 14 CO -0.02 1.05 0.42 0.93 0.86 0.00 0.00 177.93 181.17 1ekz h GLU 15 N 0.59 0.75 0.00 2.45 5.08 0.14 0.48 114.58 124.07 1ekz h GLU 15 Ca 0.06 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 1ekz h GLU 15 Cb 0.86 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1ekz h GLU 15 CO 0.07 0.50 -1.14 -0.84 -1.00 0.00 0.00 179.01 176.60 1ekz h ILE 16 N 0.77 1.26 0.20 3.13 -0.00 -0.39 -3.37 117.51 119.12 1ekz h ILE 16 Ca 0.32 -2.94 -0.01 0.00 -0.00 0.00 0.00 64.86 62.24 1ekz h ILE 16 Cb 0.18 2.60 0.00 0.00 -0.00 0.00 0.00 36.82 39.61 1ekz h ILE 16 CO -0.18 0.72 -0.10 1.23 -0.00 0.00 0.00 178.15 179.82 1ekz h GLY 17 N 3.27 -0.28 -5.56 0.16 0.00 0.36 -2.98 103.07 98.04 1ekz h GLY 17 Ca -0.09 0.10 -0.60 0.00 0.00 0.00 0.00 47.33 46.74 1ekz h GLY 17 CO 0.10 -0.10 3.14 1.39 0.00 0.00 0.00 176.54 181.07 1ekz n ILE 18 N -4.95 3.26 0.00 2.60 2.08 0.16 -2.11 119.36 120.40 1ekz n ILE 18 Ca -0.07 -2.24 0.00 0.00 0.56 0.00 0.00 62.75 61.00 1ekz n ILE 18 Cb 0.25 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.69 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 4.83 0.00 -1.22 0.38 4.81 -1.25 -4.87 118.16 120.84 1ekz n LYS 19 Ca 0.59 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.76 1ekz n LYS 19 Cb 0.27 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.45 1ekz n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ekz n ARG 20 N -2.16 2.37 -3.86 1.64 3.00 -1.12 -4.89 116.66 111.64 1ekz n ARG 20 Ca 0.00 -2.99 -0.24 0.00 -0.01 0.00 0.00 57.85 54.61 1ekz n ARG 20 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.29 1ekz n ARG 20 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ekz n ASN 21 N -0.96 -0.96 -4.17 0.55 5.15 -1.24 -4.96 115.26 108.67 1ekz n ASN 21 Ca 0.58 -0.92 -0.34 0.00 -0.60 0.00 0.00 54.58 53.31 1ekz n ASN 21 Cb 1.21 -3.48 -0.15 0.00 -0.53 0.00 0.00 39.78 36.83 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 -6.34 2.83 -0.81 1.20 -1.94 -0.90 -4.83 119.30 108.51 1ekz s MET 22 Ca 0.06 -0.97 -0.25 0.00 -1.71 0.00 0.00 55.69 52.82 1ekz s MET 22 Cb -0.03 -2.88 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1ekz s MET 22 CO 0.86 -0.37 1.62 0.95 -0.01 0.00 0.00 175.02 178.07 1ekz s THR 23 N 1.30 3.61 -0.53 2.05 -4.23 -1.26 -4.31 115.64 112.28 1ekz s THR 23 Ca 0.00 -0.10 -0.27 0.00 -1.18 0.00 0.00 61.69 60.15 1ekz s THR 23 Cb -0.16 -4.50 0.03 0.00 1.34 0.00 0.00 72.50 69.21 1ekz s THR 23 CO -0.06 -1.43 1.05 -0.69 -0.54 0.00 0.00 174.62 172.94 1ekz s VAL 24 N 7.37 4.26 -0.22 2.29 1.01 -1.26 -1.45 120.40 132.39 1ekz s VAL 24 Ca 0.54 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1ekz s VAL 24 Cb -0.07 -4.59 0.06 0.00 0.00 0.00 0.00 36.38 31.79 1ekz s VAL 24 CO 0.07 -1.10 0.00 -1.00 0.00 0.00 0.00 175.10 173.07 1ekz s HIS 25 N 4.31 1.72 0.66 5.22 3.76 0.89 -4.99 115.29 126.87 1ekz s HIS 25 Ca 0.39 -1.36 -0.11 0.00 -0.15 0.00 0.00 55.06 53.83 1ekz s HIS 25 Cb -0.09 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 1ekz s HIS 25 CO 0.25 -0.71 1.06 -0.06 -0.85 0.00 0.00 174.74 174.43 1ekz s PHE 26 N 1.62 3.47 -0.06 1.40 0.08 -1.26 -1.50 117.98 121.73 1ekz s PHE 26 Ca -0.02 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.92 1ekz s PHE 26 Cb -0.18 -2.88 0.07 0.00 -0.57 0.00 0.00 43.02 39.46 1ekz s PHE 26 CO -0.09 -0.93 0.66 0.15 -0.10 0.00 0.00 175.22 174.92 1ekz s LYS 27 N -5.25 1.03 -0.14 0.44 1.02 0.36 -4.92 119.74 112.28 1ekz s LYS 27 Ca 0.57 0.28 -0.00 0.00 0.02 0.00 0.00 55.97 56.84 1ekz s LYS 27 Cb -0.11 0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 37.67 1ekz s LYS 27 CO 0.53 -0.31 -0.14 0.08 -0.92 0.00 0.00 175.35 174.59 1ekz s VAL 28 N -1.10 2.93 -0.09 3.17 1.01 -1.26 0.14 120.40 125.19 1ekz s VAL 28 Ca -0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1ekz s VAL 28 Cb -0.01 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1ekz s VAL 28 CO 0.09 0.52 0.17 -0.07 0.00 0.00 0.00 175.10 175.81 1ekz h LEU 29 N 6.92 -0.06 -7.08 3.92 3.38 -1.81 -3.47 115.31 117.10 1ekz h LEU 29 Ca -0.28 -0.10 0.26 0.00 0.09 0.00 0.00 57.88 57.85 1ekz h LEU 29 Cb 1.21 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.81 1ekz h LEU 29 CO 0.56 0.48 0.78 -0.60 0.09 0.00 0.00 178.44 179.75 1ekz s ARG 30 N -1.88 0.39 0.01 1.13 6.06 -1.26 -5.08 118.95 118.32 1ekz s ARG 30 Ca -0.03 -0.17 0.03 0.00 -2.50 0.00 0.00 55.73 53.06 1ekz s ARG 30 Cb -0.00 0.16 -0.03 0.00 0.06 0.00 0.00 34.95 35.14 1ekz s ARG 30 CO 0.11 -0.18 -0.04 -1.83 -2.50 0.00 0.00 175.30 170.86 1ekz s GLU 31 N -2.49 2.60 0.05 5.12 -1.05 -1.26 -3.53 118.70 118.13 1ekz s GLU 31 Ca 0.10 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1ekz s GLU 31 Cb 0.01 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.12 1ekz s GLU 31 CO -0.04 0.60 -0.04 -2.00 0.95 0.00 0.00 175.26 174.72 1ekz s GLU 32 N -1.55 0.55 0.00 -4.83 2.12 -0.81 -4.93 118.70 109.26 1ekz s GLU 32 Ca 0.18 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1ekz s GLU 32 Cb -0.11 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1ekz s GLU 32 CO 0.09 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1ekz n GLY 33 N 0.68 1.60 3.83 -1.50 0.00 -1.26 0.12 105.19 108.65 1ekz n GLY 33 Ca -0.18 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 1ekz n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ekz s PRO 34 N -1.37 1.35 -1.05 1.61 0.04 -1.26 -4.85 135.00 129.48 1ekz s PRO 34 Ca 0.00 0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 1ekz s PRO 34 Cb 0.00 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1ekz s PRO 34 CO 0.00 -2.03 2.32 0.00 0.04 0.00 0.00 177.00 177.33 1ekz n ALA 35 N -3.63 5.36 0.19 8.56 0.00 -1.26 -3.57 120.51 126.15 1ekz n ALA 35 Ca 0.08 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1ekz n ALA 35 Cb 0.60 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.99 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 4.00 -3.63 -3.37 0.00 8.25 -1.26 -5.05 115.22 114.16 1ekz n HIS 36 Ca 0.52 1.03 -0.22 0.00 -0.26 0.00 0.00 57.72 58.79 1ekz n HIS 36 Cb 0.17 2.32 -0.09 0.00 1.12 0.00 0.00 29.99 33.51 1ekz n HIS 36 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1ekz s MET 37 N -2.00 0.66 0.28 -0.41 -2.45 -1.23 -5.13 119.30 109.01 1ekz s MET 37 Ca 0.00 -1.20 -0.17 0.00 -1.25 0.00 0.00 55.69 53.07 1ekz s MET 37 Cb 0.00 -0.98 -0.09 0.00 1.25 0.00 0.00 34.83 35.01 1ekz s MET 37 CO 0.00 -1.23 0.74 0.15 1.05 0.00 0.00 175.02 175.73 1ekz s LYS 38 N 1.10 4.13 0.15 4.11 1.02 -1.26 -4.60 119.74 124.39 1ekz s LYS 38 Ca 0.20 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 1ekz s LYS 38 Cb -0.15 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 1ekz s LYS 38 CO -0.03 0.26 0.99 -0.80 -0.92 0.00 0.00 175.35 174.85 1ekz s ASN 39 N -1.97 7.47 -0.31 2.83 -0.87 0.32 -4.17 114.94 118.24 1ekz s ASN 39 Ca 0.49 1.89 0.01 0.00 -1.57 0.00 0.00 52.86 53.68 1ekz s ASN 39 Cb -0.13 -2.60 0.07 0.00 -0.02 0.00 0.00 41.25 38.57 1ekz s ASN 39 CO 0.19 -0.06 0.01 -0.36 -2.57 0.00 0.00 177.10 174.31 1ekz s PHE 40 N -0.27 3.43 -0.22 2.20 0.40 0.10 -1.92 117.98 121.71 1ekz s PHE 40 Ca 0.46 -2.35 -0.21 0.00 -0.60 0.00 0.00 56.93 54.23 1ekz s PHE 40 Cb -0.25 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 1ekz s PHE 40 CO 0.31 -0.88 0.67 -1.50 0.70 0.00 0.00 175.22 174.52 1ekz s ILE 41 N 1.11 4.98 -0.18 0.64 1.10 -1.23 0.14 121.20 127.75 1ekz s ILE 41 Ca -0.01 1.25 -0.02 0.00 -0.51 0.00 0.00 60.65 61.36 1ekz s ILE 41 Cb -0.20 -3.98 -0.01 0.00 0.15 0.00 0.00 42.46 38.42 1ekz s ILE 41 CO -0.04 0.06 -0.09 -0.89 -2.11 0.00 0.00 174.94 171.86 1ekz s THR 42 N 2.21 3.10 -0.30 4.00 2.01 0.68 -2.15 115.64 125.20 1ekz s THR 42 Ca 0.29 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 1ekz s THR 42 Cb -0.16 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1ekz s THR 42 CO 0.10 0.48 0.36 0.00 -0.69 0.00 0.00 174.62 174.86 1ekz s ALA 43 N 1.03 3.54 -0.13 7.40 0.00 0.38 0.94 121.76 134.91 1ekz s ALA 43 Ca -0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1ekz s ALA 43 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1ekz s ALA 43 CO -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 175.76 175.03 1ekz s ILE 45 N -0.62 1.71 -0.28 0.00 2.07 -0.56 0.07 121.20 123.59 1ekz s ILE 45 Ca 0.12 -0.91 -0.03 0.00 -1.41 0.00 0.00 60.65 58.42 1ekz s ILE 45 Cb -0.12 -1.43 0.09 0.00 0.13 0.00 0.00 42.46 41.14 1ekz s ILE 45 CO 0.02 0.48 0.11 -0.69 -1.91 0.00 0.00 174.94 172.95 1ekz s VAL 46 N -0.36 0.30 0.00 4.00 1.01 0.12 -0.07 120.40 125.40 1ekz s VAL 46 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1ekz s VAL 46 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ekz s VAL 46 CO 0.00 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1ekz n GLY 47 N 5.10 0.97 0.46 4.51 0.00 -0.53 -2.09 105.19 113.61 1ekz n GLY 47 Ca -0.05 0.37 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 7.51 1.98 -4.09 1.61 3.41 -1.26 -4.79 113.62 117.99 1ekz n SER 48 Ca 0.00 -3.63 -0.16 0.00 -0.26 0.00 0.00 58.87 54.82 1ekz n SER 48 Cb 0.00 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.32 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 -3.12 0.76 0.02 -1.33 1.09 -0.89 -5.15 121.20 112.57 1ekz s ILE 49 Ca 0.36 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.96 1ekz s ILE 49 Cb 0.34 -0.75 -0.01 0.00 -1.06 0.00 0.00 42.46 40.98 1ekz s ILE 49 CO -0.03 -0.19 -0.08 -0.69 -0.10 0.00 0.00 174.94 173.84 1ekz s VAL 50 N -1.06 0.64 -0.09 2.92 1.01 -1.26 0.12 120.40 122.68 1ekz s VAL 50 Ca -0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1ekz s VAL 50 Cb -0.08 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.74 1ekz s VAL 50 CO 0.01 -0.03 0.21 -0.89 0.00 0.00 0.00 175.10 174.40 1ekz s THR 51 N -0.64 -0.04 0.17 3.92 2.01 0.11 -4.98 115.64 116.20 1ekz s THR 51 Ca -0.01 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1ekz s THR 51 Cb -0.06 -0.33 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 1ekz s THR 51 CO 0.00 0.06 0.62 -1.61 -0.69 0.00 0.00 174.62 173.00 1ekz s GLU 52 N 1.15 4.09 -0.27 4.92 8.01 -1.26 -0.15 118.70 135.18 1ekz s GLU 52 Ca -0.09 0.64 0.00 0.00 0.01 0.00 0.00 54.97 55.54 1ekz s GLU 52 Cb -0.10 -2.92 0.08 0.00 -4.31 0.00 0.00 34.13 26.88 1ekz s GLU 52 CO -0.07 0.45 0.02 0.20 0.01 0.00 0.00 175.26 175.87 1ekz s GLY 53 N -1.68 1.28 -1.10 -1.39 0.00 0.27 -4.82 107.32 99.87 1ekz s GLY 53 Ca 0.39 -1.61 -0.22 0.00 0.00 0.00 0.00 44.72 43.29 1ekz s GLY 53 CO 0.20 1.20 1.62 1.85 0.00 0.00 0.00 173.10 177.97 1ekz s GLU 54 N 1.42 3.52 -0.17 2.90 2.12 -1.26 -0.23 118.70 127.00 1ekz s GLU 54 Ca 0.03 -1.29 -0.29 0.00 0.36 0.00 0.00 54.97 53.77 1ekz s GLU 54 Cb -0.18 -5.37 -0.03 0.00 0.26 0.00 0.00 34.13 28.81 1ekz s GLU 54 CO -0.13 -2.48 1.49 0.20 -0.54 0.00 0.00 175.26 173.81 1ekz s GLY 55 N 5.20 1.45 -1.15 -1.50 0.00 0.12 -4.82 107.32 106.62 1ekz s GLY 55 Ca 0.53 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.77 1ekz s GLY 55 CO -0.02 2.82 2.02 0.70 0.00 0.00 0.00 173.10 178.62 1ekz n ASN 56 N 7.46 7.52 0.00 1.64 3.02 -1.26 0.01 115.26 133.65 1ekz n ASN 56 Ca 0.16 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 1ekz n ASN 56 Cb 0.45 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 0.76 1.11 4.33 7.41 0.00 -1.25 -4.81 105.19 112.74 1ekz n GLY 57 Ca 0.52 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 1.74 -2.10 -1.98 1.61 4.81 -1.26 0.12 118.16 121.10 1ekz n LYS 58 Ca 0.00 0.27 -0.17 0.00 -0.87 0.00 0.00 58.31 57.54 1ekz n LYS 58 Cb 0.00 -4.79 -0.03 0.00 0.02 0.00 0.00 35.03 30.22 1ekz n LYS 58 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ekz n LYS 59 N -4.29 -1.26 -4.28 1.64 5.02 -1.26 -5.00 118.16 108.74 1ekz n LYS 59 Ca 0.03 0.92 -0.31 0.00 -2.02 0.00 0.00 58.31 56.93 1ekz n LYS 59 Cb 0.51 -5.26 -0.09 0.00 -0.02 0.00 0.00 35.03 30.17 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 -2.75 3.75 0.00 -0.18 1.01 0.33 -4.81 120.40 117.76 1ekz s VAL 60 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1ekz s VAL 60 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1ekz s VAL 60 CO 0.00 0.23 0.00 -1.54 0.00 0.00 0.00 175.10 173.79 1ekz n SER 61 N 1.00 0.00 -0.25 3.32 3.41 -1.26 -3.91 113.62 115.93 1ekz n SER 61 Ca -0.13 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.52 1ekz n SER 61 Cb 0.52 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.91 0.00 4.33 1.57 -1.90 0.83 116.57 122.32 1ekz h LYS 62 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ekz h LYS 62 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1ekz h LYS 62 CO 0.00 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.11 1ekz n LYS 63 N -4.47 0.00 -0.37 3.15 5.02 -1.26 0.06 118.16 120.29 1ekz n LYS 63 Ca 0.12 0.42 0.32 0.00 -2.02 0.00 0.00 58.31 57.15 1ekz n LYS 63 Cb 0.17 -1.28 0.58 0.00 -0.02 0.00 0.00 35.03 34.49 1ekz n LYS 63 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ekz h ARG 64 N 0.00 0.11 -0.09 1.97 2.43 -1.90 0.86 114.38 117.76 1ekz h ARG 64 Ca 0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ekz h ARG 64 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ekz h ARG 64 CO 0.00 0.07 -0.24 0.00 -1.51 0.00 0.00 179.97 178.29 1ekz h ALA 65 N 1.81 0.16 -0.09 2.80 0.00 -0.78 -2.38 119.26 120.78 1ekz h ALA 65 Ca 0.81 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1ekz h ALA 65 Cb 2.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1ekz h ALA 65 CO -0.60 0.14 -0.00 0.00 0.00 0.00 0.00 179.25 178.78 1ekz h ALA 66 N 0.49 0.12 -0.56 0.00 0.00 0.40 -2.31 119.26 117.40 1ekz h ALA 66 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1ekz h ALA 66 Cb 0.85 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ekz h ALA 66 CO 0.05 -0.19 0.03 0.93 0.00 0.00 0.00 179.25 180.08 1ekz h GLU 67 N -0.13 0.15 0.09 0.00 3.07 0.36 0.38 114.58 118.49 1ekz h GLU 67 Ca 0.03 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1ekz h GLU 67 Cb 0.36 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1ekz h GLU 67 CO 0.01 0.10 -0.16 0.87 -1.40 0.00 0.00 179.01 178.42 1ekz h LYS 68 N 0.15 -0.30 -0.17 2.33 1.79 -1.32 0.31 116.57 119.36 1ekz h LYS 68 Ca 0.29 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.81 1ekz h LYS 68 Cb 0.44 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 1ekz h LYS 68 CO -0.45 -0.20 -0.06 0.52 -1.08 0.00 0.00 179.45 178.18 1ekz h MET 69 N -0.31 -0.03 0.09 3.15 2.86 -0.64 0.26 114.93 120.31 1ekz h MET 69 Ca 0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1ekz h MET 69 Cb 0.33 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ekz h MET 69 CO -0.09 -0.02 -0.15 -0.07 1.06 0.00 0.00 176.91 177.63 1ekz h LEU 70 N -0.04 -0.42 -0.78 1.22 3.38 0.06 -1.18 115.31 117.55 1ekz h LEU 70 Ca 0.09 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1ekz h LEU 70 Cb 0.17 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1ekz h LEU 70 CO -0.19 -0.22 0.44 0.58 0.09 0.00 0.00 178.44 179.14 1ekz h VAL 71 N -0.30 0.93 0.71 1.22 2.07 -0.02 0.62 116.25 121.48 1ekz h VAL 71 Ca 0.02 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1ekz h VAL 71 Cb 0.32 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1ekz h VAL 71 CO -0.08 0.14 -0.37 -0.33 0.02 0.00 0.00 177.57 176.94 1ekz h GLU 72 N 0.77 -0.96 -0.11 1.57 3.07 0.22 -0.14 114.58 118.99 1ekz h GLU 72 Ca 0.37 0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.15 1ekz h GLU 72 Cb 0.30 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1ekz h GLU 72 CO -0.22 -0.64 -0.55 1.37 -1.40 0.00 0.00 179.01 177.57 1ekz h LEU 73 N -0.99 0.37 -0.79 1.33 8.10 -1.10 -1.45 115.31 120.78 1ekz h LEU 73 Ca -0.10 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.70 1ekz h LEU 73 Cb 0.77 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1ekz h LEU 73 CO 0.14 0.85 0.00 1.56 -4.11 0.00 0.00 178.44 176.87 1ekz h GLN 74 N 0.26 0.00 0.00 0.17 4.20 0.25 -3.29 115.11 116.71 1ekz h GLN 74 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1ekz h GLN 74 Cb 1.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1ekz h GLN 74 CO 0.09 0.00 -0.89 1.17 -0.67 0.00 0.00 178.83 178.53 1ekz n LYS 75 N -2.54 0.50 -0.20 1.46 3.00 -0.07 -5.02 118.16 115.28 1ekz n LYS 75 Ca 0.02 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1ekz n LYS 75 Cb 0.29 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68