#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zxk s TRP 2 N 0.00 2.62 -0.33 7.33 0.52 -1.26 -5.00 118.94 122.83 1zxk s TRP 2 Ca 0.00 1.22 -0.07 0.00 0.02 0.00 0.00 56.10 57.27 1zxk s TRP 2 Cb 0.00 -3.96 0.03 0.00 -1.15 0.00 0.00 33.47 28.39 1zxk s TRP 2 CO 0.00 -2.83 0.10 0.08 0.02 0.00 0.00 176.95 174.32 1zxk s VAL 3 N -1.14 3.84 -0.28 4.03 1.01 -1.26 -4.96 120.40 121.64 1zxk s VAL 3 Ca 0.54 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1zxk s VAL 3 Cb -0.45 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 1zxk s VAL 3 CO 0.60 -0.12 0.34 0.79 0.00 0.00 0.00 175.10 176.72 1zxk n TRP 4 N 4.83 0.00 -1.05 5.22 7.02 -1.26 -4.79 117.44 127.40 1zxk n TRP 4 Ca -0.13 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.21 1zxk n TRP 4 Cb 0.45 -0.09 -0.12 0.00 -2.42 0.00 0.00 31.31 29.13 1zxk n TRP 4 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1zxk n ASN 5 N -1.49 5.55 -4.04 -0.99 6.94 -1.26 -4.75 115.26 115.22 1zxk n ASN 5 Ca 0.00 -2.64 -0.14 0.00 -0.02 0.00 0.00 54.58 51.78 1zxk n ASN 5 Cb 0.20 -1.34 -0.12 0.00 -2.36 0.00 0.00 39.78 36.15 1zxk n ASN 5 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1zxk s GLN 6 N 0.25 0.52 -0.01 -3.83 -0.21 -1.26 -1.83 119.66 113.29 1zxk s GLN 6 Ca 0.58 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.39 1zxk s GLN 6 Cb 0.30 -0.37 -0.00 0.00 1.00 0.00 0.00 33.01 33.93 1zxk s GLN 6 CO -0.05 0.08 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.49 1zxk s MET 7 N -1.12 0.65 -0.07 2.91 -1.94 0.99 -4.94 119.30 115.78 1zxk s MET 7 Ca -0.06 -0.24 -0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1zxk s MET 7 Cb -0.07 -0.63 -0.03 0.00 2.01 0.00 0.00 34.83 36.10 1zxk s MET 7 CO 0.00 0.12 0.02 -0.06 -0.01 0.00 0.00 175.02 175.09 1zxk s PHE 8 N 0.01 3.19 -0.04 -0.03 0.40 -1.26 0.48 117.98 120.73 1zxk s PHE 8 Ca 0.00 0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.57 1zxk s PHE 8 Cb -0.05 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1zxk s PHE 8 CO -0.00 0.49 -0.11 0.08 0.70 0.00 0.00 175.22 176.38 1zxk s VAL 9 N -0.94 0.99 -0.41 -0.44 1.01 0.03 -4.92 120.40 115.72 1zxk s VAL 9 Ca 0.15 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1zxk s VAL 9 Cb -0.11 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1zxk s VAL 9 CO 0.04 0.31 0.90 -0.76 0.00 0.00 0.00 175.10 175.59 1zxk s LEU 10 N 0.32 4.03 0.21 3.92 1.43 -1.26 -0.40 118.68 126.93 1zxk s LEU 10 Ca -0.07 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 1zxk s LEU 10 Cb -0.11 -3.19 0.31 0.00 0.03 0.00 0.00 46.19 43.23 1zxk s LEU 10 CO 0.02 -0.93 1.70 -0.08 0.23 0.00 0.00 176.35 177.28 1zxk h GLU 11 N 8.77 0.23 -0.99 1.70 4.81 -1.90 -2.41 114.58 124.79 1zxk h GLU 11 Ca -0.24 -0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.23 1zxk h GLU 11 Cb 1.08 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 1zxk h GLU 11 CO 0.99 0.15 0.66 1.49 -0.73 0.00 0.00 179.01 181.57 1zxk h GLU 12 N 0.24 0.30 -0.02 1.92 4.57 -1.92 -0.53 114.58 119.14 1zxk h GLU 12 Ca 0.33 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1zxk h GLU 12 Cb 0.50 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1zxk h GLU 12 CO -0.43 0.20 -0.08 1.19 -1.18 0.00 0.00 179.01 178.71 1zxk n PHE 13 N -4.49 0.00 -1.92 0.92 0.99 -0.91 -4.93 117.46 107.11 1zxk n PHE 13 Ca 0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.38 1zxk n PHE 13 Cb 0.86 -0.02 0.07 0.00 -1.00 0.00 0.00 39.48 39.39 1zxk n PHE 13 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1zxk s SER 14 N -2.12 4.95 0.00 4.37 1.04 -0.21 -4.87 113.70 116.87 1zxk s SER 14 Ca 0.31 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1zxk s SER 14 Cb 0.20 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1zxk s SER 14 CO 0.37 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1zxk n GLY 15 N -3.15 -0.18 0.22 7.32 0.00 -1.24 -4.70 105.19 103.47 1zxk n GLY 15 Ca 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 46.02 44.81 1zxk n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1zxk h PRO 16 N 0.15 0.09 -6.23 1.61 0.11 -1.88 -3.23 132.00 122.62 1zxk h PRO 16 Ca 0.00 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.53 1zxk h PRO 16 Cb 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1zxk h PRO 16 CO 0.00 0.31 0.77 -1.21 -0.21 0.00 0.00 178.00 177.65 1zxk s GLU 17 N -4.56 4.31 0.29 1.05 2.02 -1.26 -4.84 118.70 115.71 1zxk s GLU 17 Ca -0.04 1.62 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1zxk s GLU 17 Cb 0.15 -3.63 -0.10 0.00 0.10 0.00 0.00 34.13 30.65 1zxk s GLU 17 CO 0.72 -0.54 1.33 -2.14 0.02 0.00 0.00 175.26 174.65 1zxk s PRO 18 N 2.72 4.35 -0.04 0.39 0.02 -1.26 -4.89 135.00 136.29 1zxk s PRO 18 Ca 0.54 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.82 1zxk s PRO 18 Cb -0.22 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 1zxk s PRO 18 CO 0.18 -0.24 -0.25 0.96 -0.33 0.00 0.00 177.00 177.32 1zxk s ILE 19 N -0.68 2.03 0.17 2.83 -4.36 -0.94 -4.94 121.20 115.30 1zxk s ILE 19 Ca 0.52 -1.07 -0.31 0.00 -0.26 0.00 0.00 60.65 59.53 1zxk s ILE 19 Cb -0.39 -1.70 -0.10 0.00 1.25 0.00 0.00 42.46 41.52 1zxk s ILE 19 CO 0.48 0.57 1.51 -0.22 0.24 0.00 0.00 174.94 177.51 1zxk s LEU 20 N -0.37 4.37 -0.24 0.37 2.96 -1.26 -0.88 118.68 123.63 1zxk s LEU 20 Ca 0.03 2.56 -0.05 0.00 -0.22 0.00 0.00 54.13 56.46 1zxk s LEU 20 Cb -0.12 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 1zxk s LEU 20 CO 0.01 -0.76 -0.26 0.52 -1.32 0.00 0.00 176.35 174.54 1zxk n VAL 21 N 3.65 1.36 -3.42 1.68 0.31 0.71 -4.89 118.33 117.72 1zxk n VAL 21 Ca 0.12 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1zxk n VAL 21 Cb 0.40 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1zxk n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1zxk n GLY 22 N 1.94 -0.93 3.43 2.92 0.00 -1.19 -4.69 105.19 106.68 1zxk n GLY 22 Ca -0.45 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1zxk n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1zxk s ARG 23 N -0.83 0.53 0.17 1.61 3.52 -1.26 -1.08 118.95 121.61 1zxk s ARG 23 Ca 0.00 0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 56.29 1zxk s ARG 23 Cb 0.00 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.37 1zxk s ARG 23 CO 0.00 -0.16 1.00 -0.51 -0.81 0.00 0.00 175.30 174.82 1zxk s LEU 24 N 1.53 4.54 -0.22 -0.88 1.43 0.05 -4.97 118.68 120.17 1zxk s LEU 24 Ca -0.10 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.77 1zxk s LEU 24 Cb -0.07 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.61 1zxk s LEU 24 CO -0.16 -0.05 0.55 -2.28 0.23 0.00 0.00 176.35 174.64 1zxk s HIS 25 N -0.44 -0.70 -0.03 0.29 2.46 -1.26 -4.47 115.29 111.14 1zxk s HIS 25 Ca 0.46 1.58 0.03 0.00 0.47 0.00 0.00 55.06 57.60 1zxk s HIS 25 Cb -0.26 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.47 1zxk s HIS 25 CO 0.32 -0.35 -0.12 0.99 -2.47 0.00 0.00 174.74 173.11 1zxk s THR 26 N 0.81 3.25 -0.40 0.89 2.01 -1.26 -5.03 115.64 115.92 1zxk s THR 26 Ca -0.04 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1zxk s THR 26 Cb -0.05 -2.32 -0.15 0.00 0.01 0.00 0.00 72.50 69.99 1zxk s THR 26 CO -0.06 0.53 3.27 -0.90 -0.69 0.00 0.00 174.62 176.77 1zxk n ASP 27 N 2.07 6.16 -4.61 3.53 3.85 -1.26 -4.89 116.55 121.40 1zxk n ASP 27 Ca -0.17 -2.70 -0.25 0.00 -0.71 0.00 0.00 54.79 50.96 1zxk n ASP 27 Cb 0.52 -1.39 -0.08 0.00 -1.35 0.00 0.00 41.12 38.82 1zxk n ASP 27 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1zxk s LEU 28 N -0.61 3.11 -0.30 -2.12 1.43 -1.26 -5.28 118.68 113.65 1zxk s LEU 28 Ca 0.65 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1zxk s LEU 28 Cb 0.31 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1zxk s LEU 28 CO -0.07 0.06 0.13 -1.81 0.23 0.00 0.00 176.35 174.89 1zxk s ASP 29 N -3.19 5.41 0.00 2.29 1.11 -1.26 -5.02 116.67 116.01 1zxk s ASP 29 Ca 0.28 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.48 1zxk s ASP 29 Cb -0.08 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.95 1zxk s ASP 29 CO 0.18 -0.17 0.00 1.17 1.18 0.00 0.00 175.17 177.52 1zxk n LYS 34 N 4.95 0.00 -3.15 8.23 3.00 -1.26 -5.18 118.16 124.75 1zxk n LYS 34 Ca -0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.77 1zxk n LYS 34 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.46 1zxk n LYS 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1zxk s ILE 35 N 0.00 5.07 -0.25 3.15 1.01 -1.26 -3.54 121.20 125.37 1zxk s ILE 35 Ca 0.00 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1zxk s ILE 35 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1zxk s ILE 35 CO 0.00 0.19 0.24 -0.75 0.00 0.00 0.00 174.94 174.61 1zxk s LYS 36 N 1.42 4.04 -0.16 2.79 2.20 0.53 -4.75 119.74 125.81 1zxk s LYS 36 Ca 0.29 -0.17 -0.15 0.00 -0.36 0.00 0.00 55.97 55.59 1zxk s LYS 36 Cb -0.16 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1zxk s LYS 36 CO 0.12 -0.09 0.33 0.71 -0.36 0.00 0.00 175.35 176.06 1zxk s TYR 37 N 1.49 3.45 -0.05 4.03 1.51 -0.39 -0.61 117.35 126.77 1zxk s TYR 37 Ca 0.10 0.63 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 1zxk s TYR 37 Cb -0.15 -2.39 -0.00 0.00 -0.11 0.00 0.00 41.96 39.30 1zxk s TYR 37 CO 0.08 0.19 -0.20 0.42 -1.11 0.00 0.00 175.55 174.93 1zxk s ILE 38 N 0.61 1.67 -0.09 2.71 1.01 -0.31 -4.29 121.20 122.51 1zxk s ILE 38 Ca 0.18 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1zxk s ILE 38 Cb -0.13 -1.43 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1zxk s ILE 38 CO 0.05 0.47 -0.24 -0.22 0.00 0.00 0.00 174.94 175.01 1zxk s LEU 39 N 0.02 2.10 0.23 2.97 2.96 -1.26 -1.16 118.68 124.53 1zxk s LEU 39 Ca -0.05 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1zxk s LEU 39 Cb -0.13 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1zxk s LEU 39 CO 0.03 0.18 0.12 -0.94 -1.32 0.00 0.00 176.35 174.42 1zxk s SER 40 N 0.25 0.59 0.00 3.68 1.04 -0.90 -4.83 113.70 113.52 1zxk s SER 40 Ca -0.16 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.88 1zxk s SER 40 Cb -0.17 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1zxk s SER 40 CO 0.08 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1zxk n GLY 41 N -0.35 -1.18 3.48 7.32 0.00 -1.26 -1.26 105.19 111.94 1zxk n GLY 41 Ca 0.01 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1zxk n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zxk n ASP 42 N 0.01 -1.43 0.00 1.61 8.00 -1.13 -1.70 116.55 121.91 1zxk n ASP 42 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1zxk n ASP 42 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1zxk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zxk n GLY 43 N 5.49 0.43 3.70 0.44 0.00 -1.26 -4.79 105.19 109.20 1zxk n GLY 43 Ca 0.65 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1zxk n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zxk s ALA 44 N -2.00 3.68 0.00 4.61 0.00 -0.69 -0.90 121.76 126.46 1zxk s ALA 44 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1zxk s ALA 44 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1zxk s ALA 44 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1zxk n GLY 45 N 3.79 2.56 0.13 0.00 0.00 0.27 -4.73 105.19 107.20 1zxk n GLY 45 Ca 0.14 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1zxk n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1zxk n THR 46 N 0.00 1.57 -0.05 2.61 -2.24 -1.19 -4.73 114.28 110.24 1zxk n THR 46 Ca 0.00 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1zxk n THR 46 Cb 0.00 -1.57 -0.04 0.00 -2.10 0.00 0.00 70.33 66.62 1zxk n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1zxk n ILE 47 N -3.46 0.54 -4.45 2.28 5.41 -0.60 -4.63 119.36 114.45 1zxk n ILE 47 Ca -0.43 -0.16 -0.34 0.00 1.00 0.00 0.00 62.75 62.82 1zxk n ILE 47 Cb 0.98 -1.32 -0.13 0.00 -0.71 0.00 0.00 39.64 38.46 1zxk n ILE 47 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1zxk s PHE 48 N -2.18 2.93 -0.09 1.39 0.40 -0.08 -0.40 117.98 119.96 1zxk s PHE 48 Ca -0.13 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1zxk s PHE 48 Cb 0.05 -1.94 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 1zxk s PHE 48 CO 0.19 -0.19 -0.23 -1.14 0.70 0.00 0.00 175.22 174.55 1zxk s GLN 49 N 0.56 2.97 -0.03 0.44 0.74 0.07 0.94 119.66 125.35 1zxk s GLN 49 Ca -0.05 -0.87 -0.01 0.00 0.05 0.00 0.00 55.36 54.48 1zxk s GLN 49 Cb -0.15 -2.30 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 1zxk s GLN 49 CO 0.03 0.23 0.06 -1.50 -0.55 0.00 0.00 175.29 173.56 1zxk s ILE 50 N 0.23 4.66 -0.30 -2.34 2.07 -1.26 -0.51 121.20 123.74 1zxk s ILE 50 Ca -0.15 -0.34 -0.22 0.00 -1.41 0.00 0.00 60.65 58.53 1zxk s ILE 50 Cb -0.17 -3.09 -0.00 0.00 0.13 0.00 0.00 42.46 39.33 1zxk s ILE 50 CO 0.08 0.42 0.70 0.21 -1.91 0.00 0.00 174.94 174.44 1zxk s ASN 51 N -1.50 6.58 0.43 4.50 3.84 -0.59 -4.97 114.94 123.22 1zxk s ASN 51 Ca 0.20 0.54 0.30 0.00 0.21 0.00 0.00 52.86 54.11 1zxk s ASN 51 Cb -0.12 -2.37 1.41 0.00 -0.55 0.00 0.00 41.25 39.62 1zxk s ASN 51 CO 0.11 -0.54 1.90 -2.24 -2.79 0.00 0.00 177.10 173.54 1zxk h ASP 52 N 8.14 0.00 0.00 -4.21 -0.00 -1.91 -0.38 116.42 118.07 1zxk h ASP 52 Ca -0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.51 1zxk h ASP 52 Cb 1.11 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.40 1zxk h ASP 52 CO 0.84 0.00 -1.47 -0.38 -0.00 0.00 0.00 179.24 178.23 1zxk n ILE 53 N -2.63 1.53 0.10 4.15 5.41 -1.26 -1.26 119.36 125.40 1zxk n ILE 53 Ca -0.00 -0.08 0.09 0.00 1.00 0.00 0.00 62.75 63.76 1zxk n ILE 53 Cb 0.18 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 1zxk n ILE 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1zxk h THR 54 N -1.00 0.12 0.00 1.39 1.35 -1.91 -3.46 112.91 109.39 1zxk h THR 54 Ca -0.41 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1zxk h THR 54 Cb 1.35 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1zxk h THR 54 CO -0.25 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.70 1zxk n GLY 55 N 1.21 1.37 3.71 5.82 0.00 -0.16 -4.80 105.19 112.35 1zxk n GLY 55 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1zxk n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zxk s ASP 56 N -3.17 6.56 -0.25 1.61 1.01 -1.25 -0.77 116.67 120.40 1zxk s ASP 56 Ca 0.00 2.61 -0.09 0.00 0.71 0.00 0.00 52.55 55.78 1zxk s ASP 56 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1zxk s ASP 56 CO 0.00 -0.88 0.12 -0.63 0.21 0.00 0.00 175.17 173.99 1zxk s ILE 57 N 1.80 4.81 0.01 0.77 1.01 -0.24 -1.54 121.20 127.82 1zxk s ILE 57 Ca 0.73 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1zxk s ILE 57 Cb -0.43 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1zxk s ILE 57 CO 0.32 0.33 -0.06 -1.00 0.00 0.00 0.00 174.94 174.53 1zxk s HIS 58 N 1.45 2.91 -0.11 3.97 3.76 0.33 -0.21 115.29 127.39 1zxk s HIS 58 Ca 0.06 -0.02 -0.25 0.00 -0.15 0.00 0.00 55.06 54.70 1zxk s HIS 58 Cb -0.15 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 1zxk s HIS 58 CO 0.06 0.39 0.78 0.00 -0.85 0.00 0.00 174.74 175.12 1zxk s ALA 59 N -1.03 3.40 -0.29 -1.40 0.00 -0.05 -0.75 121.76 121.63 1zxk s ALA 59 Ca 0.18 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1zxk s ALA 59 Cb -0.11 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.95 1zxk s ALA 59 CO 0.09 -0.36 0.83 0.44 0.00 0.00 0.00 175.76 176.76 1zxk n ILE 60 N 4.22 0.51 -4.23 0.00 -5.35 0.47 -2.22 119.36 112.76 1zxk n ILE 60 Ca 0.02 -0.75 -0.17 0.00 -0.27 0.00 0.00 62.75 61.58 1zxk n ILE 60 Cb 0.50 0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 1zxk n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1zxk s LYS 61 N -0.62 1.01 0.16 6.28 1.02 -1.22 -4.52 119.74 121.85 1zxk s LYS 61 Ca 0.05 -1.26 -0.33 0.00 0.02 0.00 0.00 55.97 54.44 1zxk s LYS 61 Cb 0.03 -0.81 -0.13 0.00 -0.52 0.00 0.00 37.83 36.40 1zxk s LYS 61 CO 0.04 0.14 1.65 -2.13 -0.92 0.00 0.00 175.35 174.13 1zxk n ARG 62 N 0.41 2.35 -3.35 1.68 3.00 -1.24 -3.69 116.66 115.81 1zxk n ARG 62 Ca -0.15 0.85 -0.26 0.00 -0.00 0.00 0.00 57.85 58.30 1zxk n ARG 62 Cb 0.58 -2.65 -0.02 0.00 0.00 0.00 0.00 32.46 30.37 1zxk n ARG 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1zxk s LEU 63 N 1.25 4.02 -0.30 6.15 1.43 -1.26 -4.88 118.68 125.10 1zxk s LEU 63 Ca 0.79 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1zxk s LEU 63 Cb -0.62 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.33 1zxk s LEU 63 CO 0.37 -0.26 0.24 -0.62 0.23 0.00 0.00 176.35 176.31 1zxk s ASP 64 N -3.71 2.36 0.53 2.29 -1.08 -1.26 -4.89 116.67 110.90 1zxk s ASP 64 Ca 0.41 -1.07 0.19 0.00 -0.52 0.00 0.00 52.55 51.56 1zxk s ASP 64 Cb -0.10 0.17 1.36 0.00 -1.46 0.00 0.00 42.92 42.89 1zxk s ASP 64 CO 0.34 -0.39 2.14 -0.09 0.52 0.00 0.00 175.17 177.69 1zxk h ARG 65 N 8.16 0.00 -0.29 4.34 2.43 -1.85 -0.66 114.38 126.52 1zxk h ARG 65 Ca -0.13 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 1zxk h ARG 65 Cb 1.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1zxk h ARG 65 CO 0.36 0.00 -0.23 0.93 -1.51 0.00 0.00 179.97 179.52 1zxk h GLU 66 N 0.00 0.55 0.00 0.20 3.07 -1.95 -3.01 114.58 113.44 1zxk h GLU 66 Ca 0.04 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1zxk h GLU 66 Cb 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1zxk h GLU 66 CO -0.00 0.74 -0.00 1.49 -1.40 0.00 0.00 179.01 179.84 1zxk h GLU 67 N 0.49 -0.00 -2.64 2.33 4.81 -1.59 -3.45 114.58 114.54 1zxk h GLU 67 Ca 0.07 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1zxk h GLU 67 Cb 0.66 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.74 1zxk h GLU 67 CO 0.05 0.77 -0.46 0.21 -0.73 0.00 0.00 179.01 178.85 1zxk s LYS 68 N -3.12 0.24 0.05 1.92 2.20 -0.73 -5.05 119.74 115.26 1zxk s LYS 68 Ca -0.18 0.84 0.14 0.00 -0.36 0.00 0.00 55.97 56.42 1zxk s LYS 68 Cb -0.01 0.06 -0.15 0.00 -1.51 0.00 0.00 37.83 36.22 1zxk s LYS 68 CO 0.68 -0.30 0.87 0.00 -0.36 0.00 0.00 175.35 176.24 1zxk h ALA 69 N 8.23 0.67 -3.16 3.13 0.00 -1.79 -3.36 119.26 122.98 1zxk h ALA 69 Ca -0.15 -1.02 -0.19 0.00 0.00 0.00 0.00 54.91 53.55 1zxk h ALA 69 Cb 1.11 0.27 -0.28 0.00 0.00 0.00 0.00 17.79 18.90 1zxk h ALA 69 CO 0.14 1.14 -0.49 -2.00 0.00 0.00 0.00 179.25 178.04 1zxk s GLU 70 N -2.80 0.22 -0.22 0.00 2.12 -1.26 -1.11 118.70 115.64 1zxk s GLU 70 Ca -0.02 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1zxk s GLU 70 Cb 0.08 0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.53 1zxk s GLU 70 CO 0.81 -0.09 -0.14 0.71 -0.54 0.00 0.00 175.26 176.01 1zxk s TYR 71 N 0.59 2.91 -0.32 5.30 1.51 0.08 -4.99 117.35 122.42 1zxk s TYR 71 Ca -0.04 -1.93 -0.23 0.00 -1.01 0.00 0.00 57.07 53.86 1zxk s TYR 71 Cb -0.05 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1zxk s TYR 71 CO -0.03 -0.83 0.78 0.99 -1.11 0.00 0.00 175.55 175.35 1zxk s THR 72 N 1.23 4.78 0.37 -0.71 2.01 -1.26 -1.02 115.64 121.05 1zxk s THR 72 Ca -0.02 1.08 0.08 0.00 0.31 0.00 0.00 61.69 63.14 1zxk s THR 72 Cb -0.17 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.12 1zxk s THR 72 CO -0.09 -0.30 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.75 1zxk s LEU 73 N 2.98 2.82 -0.12 4.42 1.43 0.09 -2.83 118.68 127.47 1zxk s LEU 73 Ca 0.32 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1zxk s LEU 73 Cb -0.14 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1zxk s LEU 73 CO 0.14 -0.31 -0.21 -0.89 0.23 0.00 0.00 176.35 175.31 1zxk s THR 74 N -2.64 2.25 -0.09 5.49 2.01 -0.39 -0.99 115.64 121.28 1zxk s THR 74 Ca 0.34 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 1zxk s THR 74 Cb 0.05 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1zxk s THR 74 CO 0.18 0.55 0.37 0.00 -0.69 0.00 0.00 174.62 175.02 1zxk s ALA 75 N 0.57 3.62 0.06 7.40 0.00 0.16 -2.13 121.76 131.44 1zxk s ALA 75 Ca -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1zxk s ALA 75 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1zxk s ALA 75 CO 0.04 0.25 -0.13 -0.65 0.00 0.00 0.00 175.76 175.27 1zxk s GLN 76 N -0.16 0.77 -0.10 0.00 -0.21 -0.31 -1.33 119.66 118.33 1zxk s GLN 76 Ca 0.21 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1zxk s GLN 76 Cb -0.15 -0.73 0.03 0.00 1.00 0.00 0.00 33.01 33.16 1zxk s GLN 76 CO 0.09 0.17 -0.01 0.00 -2.12 0.00 0.00 175.29 173.41 1zxk s ALA 77 N -1.17 0.90 0.12 6.09 0.00 -1.26 -1.16 121.76 125.27 1zxk s ALA 77 Ca -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1zxk s ALA 77 Cb -0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1zxk s ALA 77 CO 0.02 -0.54 -0.11 0.14 0.00 0.00 0.00 175.76 175.27 1zxk s VAL 78 N 1.89 1.15 0.13 0.00 -7.23 0.22 0.20 120.40 116.75 1zxk s VAL 78 Ca 0.04 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 1zxk s VAL 78 Cb -0.13 -1.57 -0.07 0.00 0.56 0.00 0.00 36.38 35.17 1zxk s VAL 78 CO -0.06 -0.57 1.24 -0.62 -0.31 0.00 0.00 175.10 174.78 1zxk s ASP 79 N -2.68 7.02 0.48 4.85 2.15 -0.73 -0.35 116.67 127.41 1zxk s ASP 79 Ca 0.10 2.19 0.18 0.00 0.43 0.00 0.00 52.55 55.46 1zxk s ASP 79 Cb -0.02 -2.59 1.19 0.00 -0.30 0.00 0.00 42.92 41.19 1zxk s ASP 79 CO 0.01 -0.47 1.99 -0.26 -0.17 0.00 0.00 175.17 176.28 1zxk h PHE 80 N 6.07 0.24 0.03 -5.34 -1.00 -1.92 -0.35 116.94 114.68 1zxk h PHE 80 Ca -0.43 0.01 -0.22 0.00 2.81 0.00 0.00 57.97 60.13 1zxk h PHE 80 Cb 1.21 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 1zxk h PHE 80 CO 0.64 0.11 -1.20 1.49 -1.61 0.00 0.00 178.31 177.74 1zxk h GLU 81 N 0.22 0.07 0.00 1.51 4.81 -1.91 -3.41 114.58 115.88 1zxk h GLU 81 Ca 0.25 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1zxk h GLU 81 Cb 0.70 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1zxk h GLU 81 CO -0.05 1.06 -1.36 0.25 -0.73 0.00 0.00 179.01 178.18 1zxk n THR 82 N -4.27 0.00 -1.03 0.32 -2.24 -1.21 -4.97 114.28 100.88 1zxk n THR 82 Ca -0.28 -0.21 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1zxk n THR 82 Cb 0.73 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 1zxk n THR 82 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1zxk n ASN 83 N -1.78 -4.92 -4.79 3.42 3.02 -0.14 -4.98 115.26 105.08 1zxk n ASN 83 Ca 0.01 0.12 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 1zxk n ASN 83 Cb 0.41 -3.34 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1zxk n ASN 83 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1zxk s LYS 84 N -2.19 3.93 0.22 3.52 1.02 -1.26 -4.63 119.74 120.36 1zxk s LYS 84 Ca 0.00 1.45 -0.30 0.00 0.02 0.00 0.00 55.97 57.13 1zxk s LYS 84 Cb 0.00 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 1zxk s LYS 84 CO 0.00 -0.33 1.47 -1.25 -0.92 0.00 0.00 175.35 174.32 1zxk s PRO 85 N -2.91 4.25 -0.01 -1.68 0.04 -1.26 -1.78 135.00 131.65 1zxk s PRO 85 Ca 0.63 2.32 0.22 0.00 0.04 0.00 0.00 61.00 64.21 1zxk s PRO 85 Cb -0.19 -3.12 -0.25 0.00 0.04 0.00 0.00 34.50 30.97 1zxk s PRO 85 CO 0.24 -0.47 0.75 1.28 0.04 0.00 0.00 177.00 178.83 1zxk n LEU 86 N 2.80 0.58 -4.12 -3.56 4.77 0.13 -4.88 117.00 112.72 1zxk n LEU 86 Ca 0.09 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1zxk n LEU 86 Cb 0.40 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1zxk n LEU 86 CO 0.61 0.14 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.81 1zxk s GLU 87 N -3.22 0.68 0.33 3.23 0.41 -1.19 -5.04 118.70 113.91 1zxk s GLU 87 Ca 0.01 -1.14 -0.28 0.00 -0.41 0.00 0.00 54.97 53.15 1zxk s GLU 87 Cb 0.15 -0.09 -0.10 0.00 -1.78 0.00 0.00 34.13 32.31 1zxk s GLU 87 CO 0.88 -0.03 1.22 -1.25 -0.49 0.00 0.00 175.26 175.58 1zxk s PRO 88 N -3.26 4.38 0.10 0.39 0.04 -1.26 -4.63 135.00 130.76 1zxk s PRO 88 Ca 0.04 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 1zxk s PRO 88 Cb 0.02 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 1zxk s PRO 88 CO -0.05 -0.09 1.83 -2.14 0.04 0.00 0.00 177.00 176.58 1zxk s PRO 89 N -1.79 4.15 -0.04 0.56 0.02 -1.26 -4.90 135.00 131.74 1zxk s PRO 89 Ca 0.49 2.55 0.06 0.00 0.02 0.00 0.00 61.00 64.12 1zxk s PRO 89 Cb -0.36 -3.71 -0.01 0.00 0.02 0.00 0.00 34.50 30.45 1zxk s PRO 89 CO 0.46 -0.85 -0.22 0.45 -0.33 0.00 0.00 177.00 176.51 1zxk s SER 90 N 3.00 2.70 0.37 2.53 0.15 -0.44 -4.93 113.70 117.08 1zxk s SER 90 Ca 0.81 -0.44 -0.24 0.00 0.70 0.00 0.00 55.95 56.78 1zxk s SER 90 Cb -0.44 -0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 63.19 1zxk s SER 90 CO 0.37 0.24 0.98 -1.61 1.20 0.00 0.00 173.24 174.41 1zxk s GLU 91 N -0.25 4.39 0.20 5.44 2.02 -1.26 0.39 118.70 129.64 1zxk s GLU 91 Ca 0.01 1.34 -0.08 0.00 0.02 0.00 0.00 54.97 56.26 1zxk s GLU 91 Cb -0.11 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 1zxk s GLU 91 CO 0.02 0.10 0.30 -0.59 0.02 0.00 0.00 175.26 175.10 1zxk s PHE 92 N -1.74 0.62 -0.09 1.61 -0.12 -0.16 -4.90 117.98 113.20 1zxk s PHE 92 Ca 0.55 -0.94 0.03 0.00 -0.05 0.00 0.00 56.93 56.51 1zxk s PHE 92 Cb -0.18 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.09 1zxk s PHE 92 CO 0.23 -0.79 -0.17 0.42 -0.05 0.00 0.00 175.22 174.86 1zxk s ILE 93 N -4.04 1.51 -0.24 -4.49 -1.09 -0.76 -0.73 121.20 111.36 1zxk s ILE 93 Ca 0.25 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.88 1zxk s ILE 93 Cb 0.03 -1.35 -0.05 0.00 -1.58 0.00 0.00 42.46 39.51 1zxk s ILE 93 CO 0.07 0.44 0.18 -0.63 -1.23 0.00 0.00 174.94 173.77 1zxk s ILE 94 N 0.63 5.34 -0.10 2.92 1.01 -0.19 -0.00 121.20 130.81 1zxk s ILE 94 Ca -0.14 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1zxk s ILE 94 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1zxk s ILE 94 CO 0.04 0.33 -0.06 -0.54 0.00 0.00 0.00 174.94 174.70 1zxk s LYS 95 N 1.17 3.07 -0.42 2.79 1.02 0.18 -0.74 119.74 126.80 1zxk s LYS 95 Ca 0.08 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 1zxk s LYS 95 Cb -0.14 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1zxk s LYS 95 CO 0.05 0.51 0.29 0.08 -0.92 0.00 0.00 175.35 175.36 1zxk s VAL 96 N -0.38 4.70 0.00 3.17 1.01 -0.27 -0.79 120.40 127.84 1zxk s VAL 96 Ca 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1zxk s VAL 96 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1zxk s VAL 96 CO 0.02 -0.45 0.00 1.67 0.00 0.00 0.00 175.10 176.35 1zxk n GLN 97 N 5.04 0.00 0.00 2.72 7.27 0.47 -4.73 117.38 128.14 1zxk n GLN 97 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1zxk n GLN 97 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 1zxk n GLN 97 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66