#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 0.00 -4.71 7.83 5.75 -1.26 -5.09 116.55 119.08 1ekz n ASP 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1ekz n ASP 2 Cb 0.00 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1ekz n ASP 2 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ekz s GLU 3 N -0.42 4.44 0.00 0.11 2.02 -1.26 -4.88 118.70 118.70 1ekz s GLU 3 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.68 1ekz s GLU 3 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1ekz s GLU 3 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1ekz n GLY 4 N 3.19 1.79 7.00 -1.39 0.00 -1.26 -5.15 105.19 109.37 1ekz n GLY 4 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 -2.86 -2.53 1.61 -0.08 -1.26 -4.71 116.55 106.72 1ekz n ASP 5 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1ekz n ASP 5 Cb 0.00 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.55 1ekz n ASP 5 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ekz n LYS 6 N -0.40 1.29 0.00 -0.67 4.81 -1.26 -5.12 118.16 116.82 1ekz n LYS 6 Ca 0.00 -1.74 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 1ekz n LYS 6 Cb 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.01 1ekz n LYS 6 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ekz n LYS 7 N -1.14 0.00 -4.19 1.64 2.85 -1.26 -5.14 118.16 110.92 1ekz n LYS 7 Ca -0.12 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.79 1ekz n LYS 7 Cb 0.85 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.14 1ekz n LYS 7 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1ekz s SER 8 N -4.00 5.48 -0.93 -5.58 0.01 -1.26 -5.00 113.70 102.42 1ekz s SER 8 Ca 0.00 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 1ekz s SER 8 Cb 0.00 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.41 1ekz s SER 8 CO 0.00 0.30 2.39 -0.81 0.41 0.00 0.00 173.24 175.54 1ekz n PRO 9 N 2.67 2.35 -0.05 12.44 -0.04 -1.26 -4.17 135.00 146.94 1ekz n PRO 9 Ca -0.18 -1.50 -0.11 0.00 -0.04 0.00 0.00 63.50 61.67 1ekz n PRO 9 Cb 0.53 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1ekz n PRO 9 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ekz n ILE 10 N 3.81 0.89 -0.01 0.52 2.08 -1.26 -4.40 119.36 120.99 1ekz n ILE 10 Ca 0.50 -0.03 -0.10 0.00 0.56 0.00 0.00 62.75 63.68 1ekz n ILE 10 Cb 0.23 -1.75 -0.07 0.00 -0.75 0.00 0.00 39.64 37.31 1ekz n ILE 10 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1ekz h SER 11 N -0.45 -1.14 -0.99 4.38 0.87 -2.00 0.15 113.55 114.37 1ekz h SER 11 Ca -0.22 0.14 0.20 0.00 -1.23 0.00 0.00 61.79 60.67 1ekz h SER 11 Cb 1.02 0.45 -0.11 0.00 -0.44 0.00 0.00 62.40 63.32 1ekz h SER 11 CO -0.13 -0.31 0.58 1.56 -0.53 0.00 0.00 176.83 178.00 1ekz h GLN 12 N -0.37 0.68 -0.59 2.24 4.20 -1.88 0.55 115.11 119.94 1ekz h GLN 12 Ca 0.02 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1ekz h GLN 12 Cb 0.44 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1ekz h GLN 12 CO -0.30 0.45 0.38 0.28 -0.67 0.00 0.00 178.83 178.97 1ekz h VAL 13 N 0.70 1.12 -0.38 -0.54 2.07 -1.41 0.33 116.25 118.15 1ekz h VAL 13 Ca 0.58 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1ekz h VAL 13 Cb 0.95 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1ekz h VAL 13 CO -0.41 0.14 -0.00 0.45 0.02 0.00 0.00 177.57 177.77 1ekz h HIS 14 N 0.76 0.73 -0.64 1.57 3.86 0.15 0.26 115.15 121.84 1ekz h HIS 14 Ca 0.22 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1ekz h HIS 14 Cb -0.05 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.18 1ekz h HIS 14 CO -0.04 0.76 0.35 0.93 0.86 0.00 0.00 177.93 180.79 1ekz h GLU 15 N 0.49 0.64 -0.35 2.45 5.08 0.65 0.30 114.58 123.84 1ekz h GLU 15 Ca 0.11 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1ekz h GLU 15 Cb 0.47 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ekz h GLU 15 CO 0.02 0.42 -0.42 0.82 -1.00 0.00 0.00 179.01 178.85 1ekz h ILE 16 N 0.65 1.28 0.01 3.13 1.08 -0.12 -3.18 117.51 120.36 1ekz h ILE 16 Ca 0.28 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 1ekz h ILE 16 Cb 0.17 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1ekz h ILE 16 CO -0.18 0.53 -0.03 1.23 -0.69 0.00 0.00 178.15 179.01 1ekz h GLY 17 N 0.70 -0.04 -4.28 5.37 0.00 0.39 -2.24 103.07 102.97 1ekz h GLY 17 Ca 0.05 0.04 -0.32 0.00 0.00 0.00 0.00 47.33 47.09 1ekz h GLY 17 CO 0.10 -0.04 0.69 1.39 0.00 0.00 0.00 176.54 178.69 1ekz n ILE 18 N -5.14 3.36 0.11 2.60 5.41 0.98 -1.24 119.36 125.44 1ekz n ILE 18 Ca -0.07 -1.84 0.00 0.00 1.00 0.00 0.00 62.75 61.85 1ekz n ILE 18 Cb 0.07 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 36.86 1ekz n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1ekz n LYS 19 N 2.70 0.00 -0.82 0.38 4.81 -0.92 -4.89 118.16 119.42 1ekz n LYS 19 Ca 0.52 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.81 1ekz n LYS 19 Cb 0.73 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.91 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 -2.97 1.91 -3.66 1.64 1.74 -0.89 -4.88 116.66 109.56 1ekz n ARG 20 Ca 0.00 -2.04 -0.22 0.00 -0.77 0.00 0.00 57.85 54.82 1ekz n ARG 20 Cb 0.00 -1.81 0.04 0.00 -1.02 0.00 0.00 32.46 29.67 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 -0.58 -2.25 -3.93 0.55 5.15 -1.22 -4.98 115.26 108.00 1ekz n ASN 21 Ca 0.40 -0.84 -0.30 0.00 -0.60 0.00 0.00 54.58 53.24 1ekz n ASN 21 Cb 1.28 -4.06 -0.16 0.00 -0.53 0.00 0.00 39.78 36.31 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 -5.83 1.62 -0.05 1.20 -1.94 -0.37 -4.75 119.30 109.18 1ekz s MET 22 Ca 0.11 -0.82 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 1ekz s MET 22 Cb -0.03 -2.40 -0.06 0.00 2.01 0.00 0.00 34.83 34.35 1ekz s MET 22 CO 0.81 -0.53 1.69 0.95 -0.01 0.00 0.00 175.02 177.94 1ekz s THR 23 N 1.47 3.52 -0.40 2.05 -4.23 -1.26 -4.18 115.64 112.61 1ekz s THR 23 Ca -0.03 0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.96 1ekz s THR 23 Cb -0.17 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1ekz s THR 23 CO -0.07 -0.06 0.31 -0.69 -0.54 0.00 0.00 174.62 173.57 1ekz s VAL 24 N 4.14 5.24 -0.07 2.29 1.01 -1.26 -0.83 120.40 130.93 1ekz s VAL 24 Ca 0.75 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1ekz s VAL 24 Cb -0.34 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1ekz s VAL 24 CO 0.31 -0.28 -0.07 -1.00 0.00 0.00 0.00 175.10 174.06 1ekz s HIS 25 N 1.76 1.11 0.07 5.22 3.76 0.21 -4.98 115.29 122.43 1ekz s HIS 25 Ca 0.06 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1ekz s HIS 25 Cb -0.18 -0.92 -0.06 0.00 1.11 0.00 0.00 32.58 32.53 1ekz s HIS 25 CO 0.11 -0.29 0.41 -0.06 -0.85 0.00 0.00 174.74 174.05 1ekz s PHE 26 N 1.08 3.61 -0.16 1.40 0.40 -1.26 -0.16 117.98 122.88 1ekz s PHE 26 Ca -0.08 0.84 -0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1ekz s PHE 26 Cb -0.14 -2.19 0.06 0.00 0.51 0.00 0.00 43.02 41.26 1ekz s PHE 26 CO -0.01 0.54 0.39 0.15 0.70 0.00 0.00 175.22 176.99 1ekz s LYS 27 N -1.76 0.36 0.08 0.44 1.02 0.13 -4.97 119.74 115.05 1ekz s LYS 27 Ca 0.31 0.79 -0.22 0.00 0.02 0.00 0.00 55.97 56.87 1ekz s LYS 27 Cb -0.14 0.00 -0.07 0.00 -0.52 0.00 0.00 37.83 37.10 1ekz s LYS 27 CO 0.17 -0.17 0.65 0.08 -0.92 0.00 0.00 175.35 175.16 1ekz s VAL 28 N 1.55 4.66 -0.07 3.17 1.01 -1.26 0.28 120.40 129.74 1ekz s VAL 28 Ca -0.08 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 1ekz s VAL 28 Cb -0.09 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1ekz s VAL 28 CO -0.12 0.50 0.69 -0.07 0.00 0.00 0.00 175.10 176.10 1ekz h LEU 29 N 4.77 -0.17 -7.00 3.92 3.38 -1.78 -3.47 115.31 114.97 1ekz h LEU 29 Ca -0.48 -0.32 0.19 0.00 0.09 0.00 0.00 57.88 57.37 1ekz h LEU 29 Cb 1.21 0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.80 1ekz h LEU 29 CO 0.66 0.41 0.73 -0.60 0.09 0.00 0.00 178.44 179.72 1ekz s ARG 30 N -2.97 0.41 0.23 1.13 6.06 -1.26 -5.13 118.95 117.42 1ekz s ARG 30 Ca -0.11 -0.07 0.09 0.00 -2.50 0.00 0.00 55.73 53.14 1ekz s ARG 30 Cb 0.00 0.19 -0.04 0.00 0.06 0.00 0.00 34.95 35.16 1ekz s ARG 30 CO 0.39 -0.16 -0.01 -2.00 -2.50 0.00 0.00 175.30 171.02 1ekz s GLU 31 N -2.06 2.32 0.97 5.12 2.12 -1.26 -4.41 118.70 121.50 1ekz s GLU 31 Ca 0.06 -1.29 -0.12 0.00 0.36 0.00 0.00 54.97 53.99 1ekz s GLU 31 Cb -0.01 -2.24 0.17 0.00 0.26 0.00 0.00 34.13 32.31 1ekz s GLU 31 CO -0.05 0.40 1.09 -2.00 -0.54 0.00 0.00 175.26 174.16 1ekz s GLU 32 N -3.34 0.68 -0.08 4.30 -6.30 -1.26 -5.02 118.70 107.69 1ekz s GLU 32 Ca 0.29 0.78 -0.05 0.00 -2.50 0.00 0.00 54.97 53.50 1ekz s GLU 32 Cb -0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 34.13 32.29 1ekz s GLU 32 CO 0.19 -2.63 -0.09 0.78 0.02 0.00 0.00 175.26 173.53 1ekz h GLY 33 N -1.83 0.00 -0.39 -1.50 0.00 -1.94 -3.49 103.07 93.92 1ekz h GLY 33 Ca -0.52 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.61 1ekz h GLY 33 CO 0.54 0.00 0.19 -1.55 0.00 0.00 0.00 176.54 175.72 1ekz n PRO 34 N -3.56 -0.61 -0.44 4.80 -0.04 -1.26 -4.93 135.00 128.97 1ekz n PRO 34 Ca -0.04 -0.92 -0.08 0.00 -0.04 0.00 0.00 63.50 62.42 1ekz n PRO 34 Cb 0.14 -0.62 0.05 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.39 3.66 -3.24 0.55 0.00 -1.26 -4.86 120.51 111.97 1ekz n ALA 35 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1ekz n ALA 35 Cb 0.26 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.13 -1.81 -2.55 0.00 8.25 -1.26 -4.79 115.22 113.18 1ekz n HIS 36 Ca 0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1ekz n HIS 36 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1ekz n HIS 36 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ekz n MET 37 N -0.60 -0.14 -2.25 -0.41 2.81 -1.26 -4.67 117.12 110.59 1ekz n MET 37 Ca 0.00 0.07 -0.33 0.00 -1.81 0.00 0.00 57.70 55.63 1ekz n MET 37 Cb 0.00 -0.20 -0.04 0.00 -0.71 0.00 0.00 33.22 32.27 1ekz n MET 37 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ekz s LYS 38 N -2.17 3.01 -0.07 0.03 1.02 -1.26 -4.73 119.74 115.56 1ekz s LYS 38 Ca 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.75 1ekz s LYS 38 Cb -0.00 -5.31 0.02 0.00 -0.52 0.00 0.00 37.83 32.02 1ekz s LYS 38 CO 0.08 -3.27 -0.11 0.54 -0.92 0.00 0.00 175.35 171.68 1ekz s ASN 39 N 5.97 1.80 -0.62 2.83 4.22 -1.26 -4.83 114.94 123.05 1ekz s ASN 39 Ca 0.63 -0.29 -0.06 0.00 -2.14 0.00 0.00 52.86 51.00 1ekz s ASN 39 Cb -0.00 -0.80 0.16 0.00 1.28 0.00 0.00 41.25 41.88 1ekz s ASN 39 CO 0.08 -0.00 0.46 -0.36 -2.04 0.00 0.00 177.10 175.24 1ekz s PHE 40 N 0.89 3.49 -0.51 1.54 0.08 0.14 -4.62 117.98 118.98 1ekz s PHE 40 Ca -0.10 -2.44 -0.27 0.00 0.12 0.00 0.00 56.93 54.23 1ekz s PHE 40 Cb -0.15 -3.35 0.03 0.00 -0.57 0.00 0.00 43.02 38.98 1ekz s PHE 40 CO 0.01 -0.90 1.07 0.42 -0.10 0.00 0.00 175.22 175.72 1ekz s ILE 41 N 0.29 4.25 -0.11 0.64 1.09 -1.26 -0.38 121.20 125.72 1ekz s ILE 41 Ca 0.15 0.86 0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1ekz s ILE 41 Cb -0.20 -4.59 -0.01 0.00 -1.06 0.00 0.00 42.46 36.61 1ekz s ILE 41 CO -0.04 -1.08 -0.17 -0.89 -0.10 0.00 0.00 174.94 172.66 1ekz s THR 42 N 4.34 2.67 0.19 2.92 2.01 0.11 -2.05 115.64 125.82 1ekz s THR 42 Ca 0.41 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1ekz s THR 42 Cb -0.09 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1ekz s THR 42 CO 0.27 0.54 0.04 0.00 -0.69 0.00 0.00 174.62 174.78 1ekz s ALA 43 N 0.25 3.30 -0.01 7.40 0.00 0.14 0.75 121.76 133.60 1ekz s ALA 43 Ca -0.12 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.50 1ekz s ALA 43 Cb -0.16 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1ekz s ALA 43 CO 0.06 0.45 -0.08 0.00 0.00 0.00 0.00 175.76 176.19 1ekz s ILE 45 N -0.15 3.65 -0.21 0.00 2.07 0.77 -0.01 121.20 127.32 1ekz s ILE 45 Ca 0.03 -0.46 -0.02 0.00 -1.41 0.00 0.00 60.65 58.79 1ekz s ILE 45 Cb -0.04 -2.56 0.06 0.00 0.13 0.00 0.00 42.46 40.06 1ekz s ILE 45 CO -0.00 0.53 0.01 0.54 -1.91 0.00 0.00 174.94 174.11 1ekz s VAL 46 N -0.00 0.83 0.00 4.00 0.11 0.16 -0.62 120.40 124.87 1ekz s VAL 46 Ca -0.01 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1ekz s VAL 46 Cb -0.14 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1ekz s VAL 46 CO 0.03 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 1ekz n GLY 47 N 4.93 0.94 0.65 6.54 0.00 -0.01 -0.91 105.19 117.34 1ekz n GLY 47 Ca -0.10 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 10.26 2.80 -4.16 1.61 7.64 -1.26 -4.66 113.62 125.84 1ekz n SER 48 Ca 0.00 -3.32 -0.17 0.00 1.01 0.00 0.00 58.87 56.39 1ekz n SER 48 Cb 0.00 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 62.56 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 -2.99 1.01 0.08 0.44 1.01 -0.08 -5.16 121.20 115.51 1ekz s ILE 49 Ca 0.39 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1ekz s ILE 49 Cb 0.34 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1ekz s ILE 49 CO 0.03 -0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 173.77 1ekz s VAL 50 N -1.60 1.37 -0.05 2.92 1.01 -1.26 0.36 120.40 123.14 1ekz s VAL 50 Ca -0.01 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.57 1ekz s VAL 50 Cb -0.08 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1ekz s VAL 50 CO 0.02 -0.13 0.10 0.42 0.00 0.00 0.00 175.10 175.51 1ekz s THR 51 N -1.19 -0.10 0.15 3.92 -4.23 0.98 -4.97 115.64 110.20 1ekz s THR 51 Ca 0.02 0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1ekz s THR 51 Cb -0.10 -0.19 -0.06 0.00 1.34 0.00 0.00 72.50 73.49 1ekz s THR 51 CO 0.03 0.11 0.41 -1.61 -0.54 0.00 0.00 174.62 173.02 1ekz s GLU 52 N 1.48 3.68 -0.20 3.99 2.02 -1.26 0.11 118.70 128.52 1ekz s GLU 52 Ca -0.05 0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.93 1ekz s GLU 52 Cb -0.12 -2.83 0.07 0.00 0.10 0.00 0.00 34.13 31.34 1ekz s GLU 52 CO -0.05 0.45 0.07 0.20 0.02 0.00 0.00 175.26 175.96 1ekz s GLY 53 N -2.31 0.53 -1.30 -1.39 0.00 0.23 -4.81 107.32 98.27 1ekz s GLY 53 Ca 0.41 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 44.38 1ekz s GLY 53 CO 0.23 1.64 1.72 1.18 0.00 0.00 0.00 173.10 177.88 1ekz n GLU 54 N 5.17 3.21 -1.81 2.90 1.02 -1.26 -0.71 120.64 129.16 1ekz n GLU 54 Ca -0.07 -3.32 -0.30 0.00 -0.02 0.00 0.00 57.16 53.45 1ekz n GLU 54 Cb 0.47 -3.44 0.07 0.00 -0.02 0.00 0.00 31.44 28.53 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 4.01 1.61 0.04 0.62 0.00 0.49 -4.81 107.32 109.29 1ekz s GLY 55 Ca 0.52 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 1ekz s GLY 55 CO 0.06 0.01 -0.05 -2.01 0.00 0.00 0.00 173.10 171.12 1ekz n ASN 56 N -3.21 1.07 -4.76 1.64 2.85 -1.26 0.25 115.26 111.84 1ekz n ASN 56 Ca 0.07 0.15 -0.35 0.00 -0.11 0.00 0.00 54.58 54.34 1ekz n ASN 56 Cb 0.58 -0.35 0.04 0.00 1.24 0.00 0.00 39.78 41.29 1ekz n ASN 56 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1ekz s GLY 57 N -4.30 2.52 0.17 8.20 0.00 -1.26 -4.48 107.32 108.18 1ekz s GLY 57 Ca -0.04 0.84 -0.19 0.00 0.00 0.00 0.00 44.72 45.32 1ekz s GLY 57 CO 0.06 1.21 1.30 0.28 0.00 0.00 0.00 173.10 175.96 1ekz n LYS 58 N -1.88 -0.26 -1.20 2.90 5.02 -1.26 0.31 118.16 121.78 1ekz n LYS 58 Ca 0.12 1.29 -0.22 0.00 -2.02 0.00 0.00 58.31 57.48 1ekz n LYS 58 Cb 0.51 -1.91 0.16 0.00 -0.02 0.00 0.00 35.03 33.77 1ekz n LYS 58 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ekz n LYS 59 N -5.17 2.32 -0.07 1.97 2.85 -1.26 -4.44 118.16 114.36 1ekz n LYS 59 Ca 0.06 -3.16 -0.16 0.00 -1.05 0.00 0.00 58.31 54.01 1ekz n LYS 59 Cb 0.30 -2.14 -0.14 0.00 -0.65 0.00 0.00 35.03 32.40 1ekz n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ekz n VAL 60 N -1.08 1.57 0.24 0.58 0.31 0.15 -3.89 118.33 116.21 1ekz n VAL 60 Ca 0.55 -0.70 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1ekz n VAL 60 Cb 1.31 -1.23 -0.08 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.02 -0.69 -0.89 4.52 4.64 -1.77 0.14 113.55 119.53 1ekz h SER 61 Ca -0.48 0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1ekz h SER 61 Cb 2.03 0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 64.27 1ekz h SER 61 CO 0.01 -0.42 0.57 0.11 -0.87 0.00 0.00 176.83 176.24 1ekz h LYS 62 N -0.65 0.71 0.33 4.77 1.57 -1.87 0.97 116.57 122.40 1ekz h LYS 62 Ca -0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1ekz h LYS 62 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ekz h LYS 62 CO 0.02 0.47 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.99 1ekz h LYS 63 N 0.73 -0.43 -0.63 3.15 3.64 -1.47 -0.66 116.57 120.90 1ekz h LYS 63 Ca 0.44 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1ekz h LYS 63 Cb 0.65 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1ekz h LYS 63 CO -0.20 -0.28 0.42 -0.09 -2.27 0.00 0.00 179.45 177.03 1ekz h ARG 64 N -0.62 0.73 -0.08 1.90 9.65 -0.51 0.46 114.38 125.91 1ekz h ARG 64 Ca -0.05 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1ekz h ARG 64 Cb 0.34 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1ekz h ARG 64 CO 0.07 0.48 0.03 0.00 2.80 0.00 0.00 179.97 183.36 1ekz h ALA 65 N 1.63 0.10 -0.50 2.80 0.00 0.94 -1.82 119.26 122.41 1ekz h ALA 65 Ca 0.25 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1ekz h ALA 65 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ekz h ALA 65 CO -0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 179.25 178.67 1ekz h ALA 66 N 0.86 0.70 -0.17 0.00 0.00 -0.50 -1.90 119.26 118.25 1ekz h ALA 66 Ca 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1ekz h ALA 66 Cb 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1ekz h ALA 66 CO -0.00 0.68 -0.37 0.93 0.00 0.00 0.00 179.25 180.48 1ekz h GLU 67 N 0.88 -0.41 -0.07 0.00 5.08 0.09 0.30 114.58 120.44 1ekz h GLU 67 Ca 0.12 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ekz h GLU 67 Cb 0.78 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1ekz h GLU 67 CO 0.06 -0.27 0.01 -0.22 -1.00 0.00 0.00 179.01 177.59 1ekz h LYS 68 N -0.42 0.04 -0.50 2.33 3.64 -1.28 0.33 116.57 120.71 1ekz h LYS 68 Ca 0.10 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1ekz h LYS 68 Cb 0.59 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 1ekz h LYS 68 CO -0.40 0.03 -0.08 1.98 -2.27 0.00 0.00 179.45 178.71 1ekz h MET 69 N 0.04 0.04 -0.23 1.90 4.05 -0.43 0.48 114.93 120.79 1ekz h MET 69 Ca 0.03 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 1ekz h MET 69 Cb 0.03 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1ekz h MET 69 CO -0.05 0.03 -0.34 -0.07 0.23 0.00 0.00 176.91 176.71 1ekz h LEU 70 N 0.04 0.70 -1.04 3.39 3.38 -0.09 0.37 115.31 122.06 1ekz h LEU 70 Ca 0.25 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1ekz h LEU 70 Cb 0.38 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1ekz h LEU 70 CO -0.48 1.08 0.42 0.58 0.09 0.00 0.00 178.44 180.13 1ekz h VAL 71 N 0.33 1.23 0.24 1.22 2.07 0.40 0.12 116.25 121.87 1ekz h VAL 71 Ca 0.02 -0.59 -0.32 0.00 0.82 0.00 0.00 66.70 66.63 1ekz h VAL 71 Cb 0.93 0.18 0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ekz h VAL 71 CO 0.08 0.26 -1.44 -0.33 0.02 0.00 0.00 177.57 176.16 1ekz h GLU 72 N 1.10 0.50 -0.52 1.57 4.39 -0.02 -3.29 114.58 118.30 1ekz h GLU 72 Ca 0.28 -0.86 -0.03 0.00 0.34 0.00 0.00 59.36 59.09 1ekz h GLU 72 Cb 0.04 0.32 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1ekz h GLU 72 CO -0.04 1.41 0.22 -0.07 -1.16 0.00 0.00 179.01 179.37 1ekz h LEU 73 N 0.08 0.68 0.00 1.33 3.38 -0.02 -0.32 115.31 120.44 1ekz h LEU 73 Ca -0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1ekz h LEU 73 Cb 2.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1ekz h LEU 73 CO 0.25 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1ekz n GLN 74 N -4.35 0.56 0.02 1.13 6.02 0.40 -2.15 117.38 119.01 1ekz n GLN 74 Ca 0.04 0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.15 1ekz n GLN 74 Cb 0.15 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 1ekz n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ekz n LYS 75 N -1.02 0.43 0.00 -1.09 5.02 -0.13 -5.09 118.16 116.29 1ekz n LYS 75 Ca 0.13 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1ekz n LYS 75 Cb 0.07 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16