#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 0.04 -0.15 7.83 1.11 -1.26 -5.16 116.67 119.07 1ekz s ASP 2 Ca 0.00 -1.00 -0.07 0.00 0.18 0.00 0.00 52.55 51.66 1ekz s ASP 2 Cb 0.00 0.46 0.06 0.00 1.07 0.00 0.00 42.92 44.51 1ekz s ASP 2 CO 0.00 -0.94 0.35 -0.70 1.18 0.00 0.00 175.17 175.06 1ekz s GLU 3 N -4.02 0.28 1.78 8.23 2.12 -1.26 -5.12 118.70 120.71 1ekz s GLU 3 Ca 0.23 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1ekz s GLU 3 Cb 0.03 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1ekz s GLU 3 CO 0.05 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1ekz n GLY 4 N 4.75 -1.60 3.19 -1.50 0.00 -1.26 -4.98 105.19 103.79 1ekz n GLY 4 Ca -0.17 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 0.02 0.88 1.61 2.15 -1.26 -5.12 116.67 110.95 1ekz s ASP 5 Ca 0.00 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.62 1ekz s ASP 5 Cb 0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1ekz s ASP 5 CO 0.00 -0.57 0.00 0.29 -0.17 0.00 0.00 175.17 174.72 1ekz n LYS 6 N 0.65 0.00 0.13 4.34 4.01 -1.26 -4.97 118.16 121.05 1ekz n LYS 6 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1ekz n LYS 6 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 1ekz n LYS 6 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ekz n LYS 7 N -0.80 0.00 -4.13 1.97 4.76 -1.26 -5.14 118.16 113.56 1ekz n LYS 7 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1ekz n LYS 7 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1ekz n LYS 7 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ekz s SER 8 N -2.04 0.40 0.00 4.39 1.04 -1.26 -5.17 113.70 111.06 1ekz s SER 8 Ca 0.00 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1ekz s SER 8 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1ekz s SER 8 CO 0.00 -0.68 0.00 -0.81 0.98 0.00 0.00 173.24 172.73 1ekz n PRO 9 N -0.04 1.34 0.00 4.02 -0.04 -1.26 -4.40 135.00 134.62 1ekz n PRO 9 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ekz n PRO 9 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.09 0.00 0.05 0.52 5.41 -1.26 -4.46 119.36 119.53 1ekz n ILE 10 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1ekz n ILE 10 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1ekz n ILE 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1ekz h SER 11 N 0.00 -0.24 -0.35 4.38 0.02 -2.00 0.35 113.55 115.71 1ekz h SER 11 Ca 0.00 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1ekz h SER 11 Cb 0.00 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1ekz h SER 11 CO 0.00 -0.11 0.37 1.56 -1.14 0.00 0.00 176.83 177.51 1ekz h GLN 12 N -0.16 0.00 -0.40 3.45 4.20 -1.81 0.39 115.11 120.78 1ekz h GLN 12 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1ekz h GLN 12 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1ekz h GLN 12 CO -0.01 0.00 -0.35 0.28 -0.67 0.00 0.00 178.83 178.07 1ekz h VAL 13 N 0.00 1.27 -0.34 -0.54 2.07 -1.52 0.38 116.25 117.58 1ekz h VAL 13 Ca 0.16 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 1ekz h VAL 13 Cb 0.90 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1ekz h VAL 13 CO -0.00 0.51 0.04 0.45 0.02 0.00 0.00 177.57 178.59 1ekz h HIS 14 N 0.76 0.62 0.85 1.57 3.86 0.37 0.82 115.15 124.01 1ekz h HIS 14 Ca 0.07 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1ekz h HIS 14 Cb 0.94 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 29.25 1ekz h HIS 14 CO 0.06 0.66 -0.41 0.93 0.86 0.00 0.00 177.93 180.03 1ekz h GLU 15 N 0.40 -1.11 -0.60 2.45 5.08 -0.99 0.96 114.58 120.77 1ekz h GLU 15 Ca 0.10 0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1ekz h GLU 15 Cb 0.39 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ekz h GLU 15 CO 0.01 -0.73 0.19 0.97 -1.00 0.00 0.00 179.01 178.45 1ekz h ILE 16 N -1.25 1.23 0.69 3.13 2.10 -0.25 0.16 117.51 123.33 1ekz h ILE 16 Ca -0.12 -0.79 -0.03 0.00 1.08 0.00 0.00 64.86 65.00 1ekz h ILE 16 Cb 0.89 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1ekz h ILE 16 CO 0.19 0.30 -0.37 1.23 -1.08 0.00 0.00 178.15 178.43 1ekz h GLY 17 N 1.01 -1.03 0.92 8.18 0.00 0.78 0.12 103.07 113.04 1ekz h GLY 17 Ca 0.20 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.94 1ekz h GLY 17 CO -0.01 -0.37 0.21 -2.22 0.00 0.00 0.00 176.54 174.15 1ekz h ILE 18 N -0.98 1.04 -0.66 2.60 1.08 -0.65 1.34 117.51 121.28 1ekz h ILE 18 Ca -0.09 -0.15 0.16 0.00 -0.39 0.00 0.00 64.86 64.39 1ekz h ILE 18 Cb 0.76 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1ekz h ILE 18 CO 0.13 0.08 0.45 0.50 -0.69 0.00 0.00 178.15 178.62 1ekz h LYS 19 N 0.43 0.20 -0.52 2.37 3.64 -0.42 0.46 116.57 122.73 1ekz h LYS 19 Ca 0.14 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 1ekz h LYS 19 Cb 0.00 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 1ekz h LYS 19 CO -0.07 0.13 0.11 -2.13 -2.27 0.00 0.00 179.45 175.22 1ekz n ARG 20 N -4.42 3.35 -3.36 1.90 3.00 0.38 -4.92 116.66 112.59 1ekz n ARG 20 Ca 0.12 -3.04 -0.24 0.00 -0.00 0.00 0.00 57.85 54.69 1ekz n ARG 20 Cb 0.59 -2.05 0.02 0.00 0.00 0.00 0.00 32.46 31.01 1ekz n ARG 20 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ekz n ASN 21 N -0.32 -5.07 -4.20 6.15 3.02 0.15 -4.95 115.26 110.05 1ekz n ASN 21 Ca 0.32 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 54.08 1ekz n ASN 21 Cb 1.17 -4.10 -0.13 0.00 -0.61 0.00 0.00 39.78 36.10 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 -6.04 2.48 -0.49 3.52 -1.94 0.45 -4.63 119.30 112.66 1ekz s MET 22 Ca 0.43 -1.24 -0.28 0.00 -1.71 0.00 0.00 55.69 52.89 1ekz s MET 22 Cb -0.21 -3.25 -0.01 0.00 2.01 0.00 0.00 34.83 33.37 1ekz s MET 22 CO 0.53 -0.63 1.75 0.99 -0.01 0.00 0.00 175.02 177.65 1ekz s THR 23 N 1.29 3.49 -0.63 2.05 2.01 -1.26 -3.55 115.64 119.04 1ekz s THR 23 Ca -0.04 0.42 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 1ekz s THR 23 Cb -0.20 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1ekz s THR 23 CO -0.00 -0.74 1.96 0.54 -0.69 0.00 0.00 174.62 175.69 1ekz s VAL 24 N 7.66 3.30 -0.58 3.82 0.11 -1.26 -3.77 120.40 129.69 1ekz s VAL 24 Ca 0.70 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.74 1ekz s VAL 24 Cb -0.16 -3.79 0.15 0.00 -1.53 0.00 0.00 36.38 31.04 1ekz s VAL 24 CO 0.27 -0.77 0.49 -1.00 -3.33 0.00 0.00 175.10 170.76 1ekz s HIS 25 N 9.75 3.42 -0.26 1.54 3.76 0.84 -4.94 115.29 129.40 1ekz s HIS 25 Ca 0.72 -1.73 -0.20 0.00 -0.15 0.00 0.00 55.06 53.71 1ekz s HIS 25 Cb -0.13 -3.66 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 1ekz s HIS 25 CO 0.19 -0.99 0.62 -0.06 -0.85 0.00 0.00 174.74 173.65 1ekz s PHE 26 N 1.13 3.27 -0.13 1.40 0.08 -1.26 -1.08 117.98 121.38 1ekz s PHE 26 Ca 0.08 0.76 -0.12 0.00 0.12 0.00 0.00 56.93 57.77 1ekz s PHE 26 Cb -0.24 -2.85 0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1ekz s PHE 26 CO -0.01 -0.34 0.35 0.21 -0.10 0.00 0.00 175.22 175.33 1ekz s LYS 27 N 2.50 0.41 0.39 0.44 2.20 0.40 -5.00 119.74 121.07 1ekz s LYS 27 Ca 0.25 0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 56.14 1ekz s LYS 27 Cb -0.15 0.19 -0.10 0.00 -1.51 0.00 0.00 37.83 36.25 1ekz s LYS 27 CO 0.09 -0.05 0.94 0.08 -0.36 0.00 0.00 175.35 176.04 1ekz s VAL 28 N 0.25 4.34 0.01 4.02 1.01 -1.26 0.23 120.40 128.99 1ekz s VAL 28 Ca -0.01 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 1ekz s VAL 28 Cb -0.03 -3.74 -0.34 0.00 0.00 0.00 0.00 36.38 32.26 1ekz s VAL 28 CO -0.00 -0.15 0.92 -0.07 0.00 0.00 0.00 175.10 175.80 1ekz h LEU 29 N 2.38 0.77 -6.70 3.92 3.38 -1.33 -3.46 115.31 114.26 1ekz h LEU 29 Ca -0.48 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 56.62 1ekz h LEU 29 Cb 1.18 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 1ekz h LEU 29 CO 0.63 1.70 -0.21 0.00 0.09 0.00 0.00 178.44 180.64 1ekz s ARG 30 N -2.58 0.54 0.00 1.13 1.70 -1.26 -5.11 118.95 113.38 1ekz s ARG 30 Ca -0.11 1.25 0.00 0.00 -0.47 0.00 0.00 55.73 56.40 1ekz s ARG 30 Cb 0.04 0.67 0.00 0.00 -0.57 0.00 0.00 34.95 35.09 1ekz s ARG 30 CO 0.92 -0.34 0.00 -0.85 -1.08 0.00 0.00 175.30 173.94 1ekz n GLU 31 N 5.43 2.84 -3.66 3.89 0.28 -1.26 -4.50 120.64 123.66 1ekz n GLU 31 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.54 1ekz n GLU 31 Cb 0.50 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.25 1ekz n GLU 31 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ekz s GLU 32 N -0.57 3.69 3.11 3.44 2.12 -1.26 -4.99 118.70 124.23 1ekz s GLU 32 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1ekz s GLU 32 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1ekz s GLU 32 CO 0.00 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1ekz n GLY 33 N 5.00 0.46 0.11 -1.50 0.00 -1.26 -1.05 105.19 106.95 1ekz n GLY 33 Ca -0.15 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1ekz n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ekz h PRO 34 N 0.00 0.24 0.00 1.61 0.13 -2.04 -3.41 132.00 128.53 1ekz h PRO 34 Ca 0.00 -0.36 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 1ekz h PRO 34 Cb 0.00 0.12 -0.14 0.00 0.13 0.00 0.00 31.00 31.11 1ekz h PRO 34 CO 0.00 1.13 -0.26 0.00 -0.23 0.00 0.00 178.00 178.64 1ekz n ALA 35 N -2.50 2.90 -2.16 -0.56 0.00 -1.25 -5.03 120.51 111.91 1ekz n ALA 35 Ca -0.06 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1ekz n ALA 35 Cb 0.95 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 1ekz n ALA 35 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ekz n HIS 36 N -1.25 3.96 -2.77 0.00 -0.00 -0.21 -4.51 115.22 110.44 1ekz n HIS 36 Ca -0.19 -2.72 -0.03 0.00 0.46 0.00 0.00 57.72 55.24 1ekz n HIS 36 Cb 0.84 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 1ekz n HIS 36 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1ekz n MET 37 N 7.51 -3.14 -1.56 1.57 2.81 -1.26 -4.41 117.12 118.64 1ekz n MET 37 Ca 0.50 2.58 -0.42 0.00 -1.81 0.00 0.00 57.70 58.54 1ekz n MET 37 Cb 0.43 -5.42 -0.04 0.00 -0.71 0.00 0.00 33.22 27.48 1ekz n MET 37 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ekz n LYS 38 N 0.41 1.50 -0.32 0.03 5.02 -1.26 -4.68 118.16 118.86 1ekz n LYS 38 Ca 0.04 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1ekz n LYS 38 Cb 0.15 -3.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.05 1ekz n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ekz n ASN 39 N 12.52 0.00 0.00 4.39 3.02 -1.26 -4.57 115.26 129.36 1ekz n ASN 39 Ca 0.35 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1ekz n ASN 39 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1ekz n ASN 39 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ekz n PHE 40 N 0.00 0.00 -3.54 3.10 3.72 -0.13 -4.64 117.46 115.96 1ekz n PHE 40 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 1ekz n PHE 40 Cb 0.00 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 1ekz n PHE 40 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ekz s ILE 41 N 0.00 -0.19 -0.24 4.37 1.09 -1.26 -3.65 121.20 121.32 1ekz s ILE 41 Ca 0.00 -0.25 -0.08 0.00 -1.10 0.00 0.00 60.65 59.22 1ekz s ILE 41 Cb 0.00 -0.69 -0.04 0.00 -1.06 0.00 0.00 42.46 40.67 1ekz s ILE 41 CO 0.00 -0.33 0.09 -0.89 -0.10 0.00 0.00 174.94 173.71 1ekz s THR 42 N 2.21 4.60 -0.12 2.92 2.01 -0.89 -0.82 115.64 125.56 1ekz s THR 42 Ca 0.05 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1ekz s THR 42 Cb -0.16 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1ekz s THR 42 CO -0.16 0.34 -0.01 0.00 -0.69 0.00 0.00 174.62 174.10 1ekz s ALA 43 N 1.43 3.17 -0.17 7.40 0.00 0.14 -2.18 121.76 131.55 1ekz s ALA 43 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1ekz s ALA 43 Cb -0.15 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1ekz s ALA 43 CO 0.05 0.41 -0.19 0.00 0.00 0.00 0.00 175.76 176.02 1ekz s ILE 45 N 1.23 4.07 -0.18 0.00 2.07 -0.24 0.14 121.20 128.29 1ekz s ILE 45 Ca 0.03 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1ekz s ILE 45 Cb -0.13 -2.82 0.06 0.00 0.13 0.00 0.00 42.46 39.69 1ekz s ILE 45 CO -0.10 0.36 0.03 0.68 -1.91 0.00 0.00 174.94 173.99 1ekz s VAL 46 N -1.09 0.56 0.00 4.00 -7.23 0.17 -0.11 120.40 116.71 1ekz s VAL 46 Ca 0.20 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1ekz s VAL 46 Cb -0.11 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1ekz s VAL 46 CO 0.10 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1ekz n GLY 47 N 5.04 1.29 0.35 2.32 0.00 -1.25 -2.33 105.19 110.61 1ekz n GLY 47 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 3.26 0.00 -3.97 1.61 7.64 -1.26 -4.94 113.62 115.96 1ekz n SER 48 Ca 0.00 -1.60 -0.17 0.00 1.01 0.00 0.00 58.87 58.11 1ekz n SER 48 Cb 0.00 -0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.00 0.50 0.20 0.44 1.01 -0.98 -5.16 121.20 117.21 1ekz s ILE 49 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.49 1ekz s ILE 49 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1ekz s ILE 49 CO 0.00 0.15 -0.19 0.54 0.00 0.00 0.00 174.94 175.45 1ekz s VAL 50 N -0.02 1.99 -0.35 2.92 0.11 -1.26 0.46 120.40 124.25 1ekz s VAL 50 Ca 0.01 -2.07 0.02 0.00 -2.93 0.00 0.00 61.98 57.01 1ekz s VAL 50 Cb -0.04 -2.00 0.10 0.00 -1.53 0.00 0.00 36.38 32.92 1ekz s VAL 50 CO -0.00 -0.35 0.09 -0.89 -3.33 0.00 0.00 175.10 170.62 1ekz s THR 51 N -2.24 1.71 0.19 5.04 2.01 0.12 -4.94 115.64 117.53 1ekz s THR 51 Ca 0.20 -2.07 -0.24 0.00 0.31 0.00 0.00 61.69 59.89 1ekz s THR 51 Cb -0.05 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 1ekz s THR 51 CO 0.08 -0.66 0.79 -1.61 -0.69 0.00 0.00 174.62 172.53 1ekz s GLU 52 N 1.06 4.52 0.00 4.92 2.02 -1.26 -2.34 118.70 127.62 1ekz s GLU 52 Ca 0.11 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.23 1ekz s GLU 52 Cb -0.19 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1ekz s GLU 52 CO -0.13 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.07 1ekz n GLY 53 N 1.33 -0.33 6.04 -1.39 0.00 -0.93 -4.98 105.19 104.94 1ekz n GLY 53 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ekz n GLY 53 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ekz n GLU 54 N 0.00 0.00 0.00 1.61 2.13 -1.26 -2.09 120.64 121.03 1ekz n GLU 54 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ekz n GLU 54 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ekz n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ekz n GLY 55 N 0.00 0.49 0.08 8.31 0.00 -1.24 -4.73 105.19 108.11 1ekz n GLY 55 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1ekz n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ekz n ASN 56 N 0.00 0.80 -2.12 1.61 5.03 -1.26 -0.96 115.26 118.36 1ekz n ASN 56 Ca 0.00 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.40 1ekz n ASN 56 Cb 0.00 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1ekz n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ekz n GLY 57 N 1.93 1.18 5.00 7.41 0.00 -1.26 -3.36 105.19 116.09 1ekz n GLY 57 Ca -0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.00 -2.70 1.61 3.00 -1.26 -3.56 118.16 115.25 1ekz n LYS 58 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1ekz n LYS 58 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.14 1ekz n LYS 58 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ekz n LYS 59 N 0.00 1.34 -0.93 1.64 2.85 -1.26 -5.13 118.16 116.66 1ekz n LYS 59 Ca 0.00 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.37 1ekz n LYS 59 Cb 0.00 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.25 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 -0.98 0.00 -0.65 0.58 0.31 -1.23 -5.00 118.33 111.35 1ekz n VAL 60 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ekz n VAL 60 Cb 0.85 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 1ekz n VAL 60 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ekz n SER 61 N -0.68 -2.97 -0.31 4.52 2.88 -1.21 -4.66 113.62 111.18 1ekz n SER 61 Ca 0.00 0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1ekz n SER 61 Cb 0.00 -1.33 -0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1ekz n SER 61 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ekz n LYS 62 N 0.18 -0.22 0.14 -1.46 4.81 -1.26 -4.71 118.16 115.64 1ekz n LYS 62 Ca 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1ekz n LYS 62 Cb 0.00 -3.82 0.00 0.00 0.02 0.00 0.00 35.03 31.23 1ekz n LYS 62 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ekz n LYS 63 N -1.39 0.00 -0.26 1.64 4.81 -1.26 -4.91 118.16 116.79 1ekz n LYS 63 Ca -0.03 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1ekz n LYS 63 Cb 0.49 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.63 1ekz n LYS 63 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1ekz h ARG 64 N 0.00 0.00 -0.05 1.64 9.65 -1.91 0.32 114.38 124.03 1ekz h ARG 64 Ca 0.00 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1ekz h ARG 64 Cb 0.00 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1ekz h ARG 64 CO 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 179.97 182.72 1ekz h ALA 65 N 1.75 0.08 -0.68 2.80 0.00 -1.87 -2.72 119.26 118.62 1ekz h ALA 65 Ca 0.36 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ekz h ALA 65 Cb 0.55 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1ekz h ALA 65 CO -0.77 -0.13 0.41 0.00 0.00 0.00 0.00 179.25 178.75 1ekz h ALA 66 N 0.56 0.90 0.01 0.00 0.00 -1.67 -0.20 119.26 118.86 1ekz h ALA 66 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ekz h ALA 66 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ekz h ALA 66 CO 0.01 0.14 -0.06 0.93 0.00 0.00 0.00 179.25 180.27 1ekz h GLU 67 N 0.78 -0.10 -0.78 0.00 5.08 -0.42 0.15 114.58 119.29 1ekz h GLU 67 Ca 0.29 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1ekz h GLU 67 Cb 0.09 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1ekz h GLU 67 CO -0.14 -0.07 0.51 -0.22 -1.00 0.00 0.00 179.01 178.09 1ekz h LYS 68 N -0.11 0.96 -0.43 2.33 3.11 -1.13 -1.92 116.57 119.38 1ekz h LYS 68 Ca 0.02 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1ekz h LYS 68 Cb 0.13 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 1ekz h LYS 68 CO -0.06 0.64 0.12 1.98 -2.81 0.00 0.00 179.45 179.33 1ekz h MET 69 N 0.99 0.68 -0.01 1.90 4.05 -0.19 -2.03 114.93 120.32 1ekz h MET 69 Ca 0.30 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1ekz h MET 69 Cb -0.02 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1ekz h MET 69 CO -0.08 0.67 -0.22 -0.07 0.23 0.00 0.00 176.91 177.45 1ekz h LEU 70 N 0.56 -0.64 -1.99 3.39 3.38 -0.22 0.48 115.31 120.28 1ekz h LEU 70 Ca 0.14 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ekz h LEU 70 Cb 0.28 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ekz h LEU 70 CO -0.00 -0.28 -0.05 -0.37 0.09 0.00 0.00 178.44 177.83 1ekz h VAL 71 N -0.34 0.93 0.01 1.22 -1.51 -1.37 0.22 116.25 115.41 1ekz h VAL 71 Ca 0.06 -0.17 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 1ekz h VAL 71 Cb 0.42 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1ekz h VAL 71 CO -0.20 0.05 -0.09 -0.33 -1.23 0.00 0.00 177.57 175.77 1ekz h GLU 72 N 0.00 0.04 0.00 5.19 4.39 -0.37 -3.28 114.58 120.55 1ekz h GLU 72 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1ekz h GLU 72 Cb 0.09 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1ekz h GLU 72 CO 0.01 0.95 -0.11 1.37 -1.16 0.00 0.00 179.01 180.06 1ekz h LEU 73 N -0.84 0.00 0.00 1.33 8.10 0.11 -2.78 115.31 121.23 1ekz h LEU 73 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1ekz h LEU 73 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1ekz h LEU 73 CO 0.02 0.11 0.00 0.00 -4.11 0.00 0.00 178.44 174.46 1ekz n GLN 74 N -3.26 0.00 0.04 0.17 1.13 0.76 -3.05 117.38 113.18 1ekz n GLN 74 Ca 0.00 0.11 0.02 0.00 -1.94 0.00 0.00 57.00 55.19 1ekz n GLN 74 Cb 0.37 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.50 0.62 0.00 -1.09 4.01 -1.05 -5.07 118.16 114.08 1ekz n LYS 75 Ca 0.06 0.21 0.06 0.00 -0.51 0.00 0.00 58.31 58.12 1ekz n LYS 75 Cb 0.27 -1.81 0.05 0.00 -0.51 0.00 0.00 35.03 33.03 1ekz n LYS 75 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57