#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zkz n GLY 5 N 0.00 2.54 1.43 0.00 0.00 -1.26 -4.42 105.19 103.48 1zkz n GLY 5 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1zkz n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zkz n SER 6 N 0.97 3.58 -4.88 1.61 2.88 -1.26 -5.04 113.62 111.49 1zkz n SER 6 Ca 0.24 -3.81 -0.22 0.00 -1.33 0.00 0.00 58.87 53.75 1zkz n SER 6 Cb 0.87 -0.54 0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1zkz n SER 6 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1zkz s HIS 7 N -3.42 2.44 -0.15 0.66 4.02 -1.26 -2.99 115.29 114.59 1zkz s HIS 7 Ca 0.47 -0.06 -0.36 0.00 1.02 0.00 0.00 55.06 56.13 1zkz s HIS 7 Cb 0.41 -2.87 -0.13 0.00 -1.02 0.00 0.00 32.58 28.97 1zkz s HIS 7 CO -0.01 -1.20 1.86 0.00 1.02 0.00 0.00 174.74 176.41 1zkz s GLN 9 N 4.02 1.22 -0.07 0.00 -2.07 0.10 -4.90 119.66 117.96 1zkz s GLN 9 Ca 0.95 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 53.90 1zkz s GLN 9 Cb -0.80 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 31.65 1zkz s GLN 9 CO 0.56 -0.50 1.41 0.21 -1.32 0.00 0.00 175.29 175.65 1zkz s LYS 10 N -3.11 4.24 0.33 9.60 2.20 -1.26 -0.38 119.74 131.36 1zkz s LYS 10 Ca -0.02 1.91 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 1zkz s LYS 10 Cb -0.01 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 1zkz s LYS 10 CO -0.07 -0.68 0.05 0.95 -0.36 0.00 0.00 175.35 175.23 1zkz s THR 11 N 3.19 1.28 0.27 3.43 -4.23 -0.43 -4.94 115.64 114.22 1zkz s THR 11 Ca 0.63 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.84 1zkz s THR 11 Cb -0.28 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 1zkz s THR 11 CO 0.23 -0.02 1.16 -0.55 -0.54 0.00 0.00 174.62 174.91 1zkz s SER 12 N -3.50 7.13 -0.24 3.99 0.15 -1.26 -1.75 113.70 118.21 1zkz s SER 12 Ca 0.36 2.36 -0.03 0.00 0.70 0.00 0.00 55.95 59.34 1zkz s SER 12 Cb 0.09 -2.63 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 1zkz s SER 12 CO 0.16 -0.27 0.23 -0.22 1.20 0.00 0.00 173.24 174.34 1zkz s LEU 13 N -1.32 -0.05 -0.22 3.45 2.96 -1.18 -4.61 118.68 117.71 1zkz s LEU 13 Ca 0.47 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.60 1zkz s LEU 13 Cb -0.34 0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 1zkz s LEU 13 CO 0.43 -0.36 0.68 -0.60 -1.32 0.00 0.00 176.35 175.17 1zkz s ARG 14 N 2.30 4.18 -0.26 1.98 3.52 -1.26 -0.21 118.95 129.20 1zkz s ARG 14 Ca 0.08 0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 56.31 1zkz s ARG 14 Cb -0.15 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1zkz s ARG 14 CO -0.22 -0.35 0.03 0.08 -0.81 0.00 0.00 175.30 174.02 1zkz s VAL 15 N 2.28 3.77 -0.20 7.11 1.01 0.45 -4.94 120.40 129.88 1zkz s VAL 15 Ca 0.30 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1zkz s VAL 15 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1zkz s VAL 15 CO 0.09 0.25 0.70 0.21 0.00 0.00 0.00 175.10 176.36 1zkz s ASN 16 N 1.50 6.77 0.54 3.32 3.84 -1.26 -1.11 114.94 128.53 1zkz s ASN 16 Ca 0.04 0.94 0.31 0.00 0.21 0.00 0.00 52.86 54.36 1zkz s ASN 16 Cb -0.16 -2.38 1.47 0.00 -0.55 0.00 0.00 41.25 39.63 1zkz s ASN 16 CO 0.00 -0.33 2.05 -0.26 -2.79 0.00 0.00 177.10 175.77 1zkz h PHE 17 N 7.48 0.00 0.14 0.43 0.04 -1.26 -3.00 116.94 120.77 1zkz h PHE 17 Ca -0.30 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 1zkz h PHE 17 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1zkz h PHE 17 CO 0.72 0.09 -0.07 1.49 -0.60 0.00 0.00 178.31 179.94 1zkz h GLU 18 N 0.00 -0.18 -0.81 1.51 4.81 -1.93 0.21 114.58 118.20 1zkz h GLU 18 Ca -0.00 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.51 1zkz h GLU 18 Cb 0.41 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.68 1zkz h GLU 18 CO 0.01 0.28 0.17 -0.25 -0.73 0.00 0.00 179.01 178.49 1zkz n ASP 19 N -4.91 0.04 -1.21 1.04 8.00 -1.14 -0.99 116.55 117.38 1zkz n ASP 19 Ca -0.08 1.36 0.11 0.00 0.71 0.00 0.00 54.79 56.89 1zkz n ASP 19 Cb 0.27 -0.56 0.29 0.00 -0.02 0.00 0.00 41.12 41.10 1zkz n ASP 19 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1zkz n ILE 20 N -5.03 0.81 -1.18 0.53 -5.35 -1.19 -4.97 119.36 102.97 1zkz n ILE 20 Ca 0.23 -0.86 -0.06 0.00 -0.27 0.00 0.00 62.75 61.79 1zkz n ILE 20 Cb 0.77 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 39.20 1zkz n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1zkz n GLY 21 N 1.55 0.84 0.00 3.28 0.00 -0.16 -4.94 105.19 105.77 1zkz n GLY 21 Ca 0.22 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1zkz n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1zkz n TRP 22 N -2.74 0.01 0.42 1.61 7.02 0.72 -4.21 117.44 120.26 1zkz n TRP 22 Ca -0.06 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.50 1zkz n TRP 22 Cb 0.24 -0.08 0.33 0.00 -2.42 0.00 0.00 31.31 29.38 1zkz n TRP 22 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1zkz n ASP 23 N -1.52 0.18 0.25 -0.99 3.85 -1.01 -0.83 116.55 116.48 1zkz n ASP 23 Ca 0.04 0.55 0.10 0.00 -0.71 0.00 0.00 54.79 54.77 1zkz n ASP 23 Cb 0.34 -0.58 0.63 0.00 -1.35 0.00 0.00 41.12 40.16 1zkz n ASP 23 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1zkz h SER 24 N 0.00 0.00 0.00 -1.12 4.64 -1.89 -3.32 113.55 111.86 1zkz h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zkz h SER 24 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1zkz h SER 24 CO 0.00 0.16 0.00 -2.67 -0.87 0.00 0.00 176.83 173.45 1zkz n TRP 25 N -3.79 0.00 -3.84 4.77 4.27 -0.73 -4.99 117.44 113.14 1zkz n TRP 25 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 1zkz n TRP 25 Cb 0.27 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.09 1zkz n TRP 25 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1zkz s ILE 26 N -0.46 3.45 0.09 -1.67 1.01 -0.01 -3.96 121.20 119.65 1zkz s ILE 26 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 1zkz s ILE 26 Cb 0.00 -2.87 -0.11 0.00 0.01 0.00 0.00 42.46 39.49 1zkz s ILE 26 CO 0.00 -0.02 1.38 0.40 0.00 0.00 0.00 174.94 176.70 1zkz h ILE 27 N 6.16 1.31 -2.28 2.92 2.04 -1.08 -3.40 117.51 123.18 1zkz h ILE 27 Ca -0.27 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 1zkz h ILE 27 Cb 1.09 1.73 -0.20 0.00 -0.74 0.00 0.00 36.82 38.70 1zkz h ILE 27 CO 0.58 0.49 0.04 0.00 0.00 0.00 0.00 178.15 179.26 1zkz s ALA 28 N -4.20 -1.50 1.03 1.87 0.00 -1.14 -4.56 121.76 113.26 1zkz s ALA 28 Ca -0.12 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1zkz s ALA 28 Cb 0.08 -0.30 0.22 0.00 0.00 0.00 0.00 23.12 23.12 1zkz s ALA 28 CO 0.83 -0.32 1.22 -1.25 0.00 0.00 0.00 175.76 176.24 1zkz s PRO 29 N -0.75 0.11 0.17 0.00 0.04 -1.26 -0.87 135.00 132.44 1zkz s PRO 29 Ca -0.08 -0.20 -0.06 0.00 0.04 0.00 0.00 61.00 60.70 1zkz s PRO 29 Cb -0.02 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.81 1zkz s PRO 29 CO 0.06 -2.80 1.50 0.87 0.04 0.00 0.00 177.00 176.67 1zkz h LYS 30 N -1.93 0.73 -3.97 4.56 1.57 -1.94 -3.46 116.57 112.15 1zkz h LYS 30 Ca -0.45 -0.42 -0.21 0.00 -1.87 0.00 0.00 60.65 57.70 1zkz h LYS 30 Cb 1.27 0.03 -0.24 0.00 0.08 0.00 0.00 32.23 33.37 1zkz h LYS 30 CO 0.40 1.04 -0.71 -1.21 -0.57 0.00 0.00 179.45 178.40 1zkz s GLU 31 N -4.20 0.23 0.12 3.15 2.02 -1.26 -0.75 118.70 118.01 1zkz s GLU 31 Ca -0.09 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1zkz s GLU 31 Cb 0.11 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 1zkz s GLU 31 CO 0.86 -0.01 -0.01 1.52 0.02 0.00 0.00 175.26 177.64 1zkz s TYR 32 N -0.86 0.89 -0.77 1.61 1.13 -0.27 -4.96 117.35 114.12 1zkz s TYR 32 Ca -0.09 -1.07 -0.25 0.00 -1.41 0.00 0.00 57.07 54.26 1zkz s TYR 32 Cb -0.06 -0.53 0.05 0.00 -1.10 0.00 0.00 41.96 40.32 1zkz s TYR 32 CO -0.00 -0.32 1.21 -2.00 -2.51 0.00 0.00 175.55 171.93 1zkz s GLU 33 N -3.93 3.25 0.59 -3.49 2.56 -1.26 -0.41 118.70 116.00 1zkz s GLU 33 Ca 0.17 -0.62 -0.06 0.00 0.00 0.00 0.00 54.97 54.46 1zkz s GLU 33 Cb 0.07 -4.41 0.00 0.00 2.00 0.00 0.00 34.13 31.80 1zkz s GLU 33 CO -0.02 -2.05 0.91 0.00 -0.56 0.00 0.00 175.26 173.55 1zkz s ALA 34 N 4.99 3.27 0.14 6.30 0.00 0.70 -4.74 121.76 132.43 1zkz s ALA 34 Ca 0.33 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1zkz s ALA 34 Cb -0.09 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1zkz s ALA 34 CO 0.09 -0.79 0.14 0.66 0.00 0.00 0.00 175.76 175.86 1zkz n TYR 35 N -2.59 -1.86 -4.17 0.00 4.02 -1.26 -3.10 117.16 108.19 1zkz n TYR 35 Ca 0.04 -0.57 -0.16 0.00 -0.01 0.00 0.00 57.90 57.20 1zkz n TYR 35 Cb 0.57 -0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.65 1zkz n TYR 35 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1zkz s GLU 36 N -2.61 0.83 -0.39 -0.72 2.12 -0.72 -4.64 118.70 112.58 1zkz s GLU 36 Ca 0.11 -1.05 -0.11 0.00 0.36 0.00 0.00 54.97 54.27 1zkz s GLU 36 Cb -0.01 -0.68 0.05 0.00 0.26 0.00 0.00 34.13 33.75 1zkz s GLU 36 CO 0.07 0.13 0.24 0.00 -0.54 0.00 0.00 175.26 175.16 1zkz s LYS 38 N 1.52 2.19 0.00 0.00 1.02 0.49 -4.75 119.74 120.22 1zkz s LYS 38 Ca 0.02 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.06 1zkz s LYS 38 Cb -0.21 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1zkz s LYS 38 CO 0.05 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 1zkz n GLY 39 N 1.14 0.60 3.31 -3.33 0.00 -1.26 -0.72 105.19 104.92 1zkz n GLY 39 Ca -0.15 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.54 1zkz n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zkz s GLY 40 N 0.00 1.50 -0.37 -0.02 0.00 -1.16 -4.68 107.32 102.59 1zkz s GLY 40 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.01 1zkz s GLY 40 CO 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 173.10 171.57 1zkz s PHE 42 N 0.85 0.43 0.36 0.00 -0.12 -1.26 -4.66 117.98 113.57 1zkz s PHE 42 Ca 0.11 -0.92 -0.24 0.00 -0.05 0.00 0.00 56.93 55.83 1zkz s PHE 42 Cb -0.20 -0.28 -0.10 0.00 -0.63 0.00 0.00 43.02 41.81 1zkz s PHE 42 CO -0.07 -0.46 0.95 -0.06 -0.05 0.00 0.00 175.22 175.53 1zkz s PHE 43 N -3.91 3.57 0.22 3.49 0.40 -1.26 -3.33 117.98 117.16 1zkz s PHE 43 Ca 0.08 1.73 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 1zkz s PHE 43 Cb 0.07 -2.90 -0.09 0.00 0.51 0.00 0.00 43.02 40.61 1zkz s PHE 43 CO -0.09 0.11 1.09 -1.25 0.70 0.00 0.00 175.22 175.78 1zkz s PRO 44 N -2.41 4.63 0.42 0.24 0.04 -1.26 -5.08 135.00 131.58 1zkz s PRO 44 Ca 0.54 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 63.07 1zkz s PRO 44 Cb -0.16 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 1zkz s PRO 44 CO 0.20 0.16 1.27 -0.51 0.04 0.00 0.00 177.00 178.17 1zkz s LEU 45 N -0.87 4.17 0.47 -3.56 1.43 -1.21 -4.77 118.68 114.34 1zkz s LEU 45 Ca 0.47 2.58 -0.24 0.00 -1.03 0.00 0.00 54.13 55.91 1zkz s LEU 45 Cb -0.30 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 1zkz s LEU 45 CO 0.37 -0.87 1.34 0.00 0.23 0.00 0.00 176.35 177.42 1zkz n ALA 46 N -0.01 1.58 0.13 4.21 0.00 -1.26 -4.92 120.51 120.24 1zkz n ALA 46 Ca 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1zkz n ALA 46 Cb 0.44 -2.33 0.24 0.00 0.00 0.00 0.00 19.45 17.81 1zkz n ALA 46 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1zkz h ASP 47 N 1.90 0.12 -0.89 0.00 1.82 -1.97 -3.25 116.42 114.16 1zkz h ASP 47 Ca -0.50 -0.06 -0.54 0.00 -0.39 0.00 0.00 57.03 55.55 1zkz h ASP 47 Cb 1.29 -0.03 -0.28 0.00 0.68 0.00 0.00 39.33 40.98 1zkz h ASP 47 CO 0.59 0.57 0.51 0.47 -1.61 0.00 0.00 179.24 179.78 1zkz n ASP 48 N -3.98 5.23 -0.25 2.28 8.00 -1.26 -4.54 116.55 122.03 1zkz n ASP 48 Ca -0.02 -3.72 0.05 0.00 0.71 0.00 0.00 54.79 51.81 1zkz n ASP 48 Cb 0.50 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1zkz n ASP 48 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1zkz n VAL 49 N -1.02 0.00 0.00 2.53 0.31 -1.23 -4.87 118.33 114.06 1zkz n VAL 49 Ca 0.56 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1zkz n VAL 49 Cb 1.12 1.13 0.00 0.00 -0.91 0.00 0.00 33.84 35.18 1zkz n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1zkz n THR 50 N -0.18 0.00 -1.30 2.52 -1.04 -1.26 -2.35 114.28 110.67 1zkz n THR 50 Ca 0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 1zkz n THR 50 Cb 0.22 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.76 1zkz n THR 50 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zkz n PRO 51 N -1.10 0.19 -1.73 -2.82 -0.04 -1.26 -5.03 135.00 123.21 1zkz n PRO 51 Ca 0.00 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 1zkz n PRO 51 Cb 0.00 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1zkz n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1zkz s THR 52 N -1.90 3.92 0.20 0.52 -4.23 -1.26 -4.95 115.64 107.93 1zkz s THR 52 Ca 0.60 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.64 1zkz s THR 52 Cb -0.44 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.03 1zkz s THR 52 CO 0.63 -0.82 1.79 0.11 -0.54 0.00 0.00 174.62 175.79 1zkz h LYS 53 N -0.66 1.02 -0.47 3.99 1.57 -1.98 -2.76 116.57 117.28 1zkz h LYS 53 Ca -0.45 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.27 1zkz h LYS 53 Cb 1.23 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1zkz h LYS 53 CO 0.60 0.80 0.07 1.25 -0.57 0.00 0.00 179.45 181.60 1zkz h HIS 54 N 0.99 0.10 -0.63 -1.35 2.76 -1.94 -0.57 115.15 114.51 1zkz h HIS 54 Ca 0.24 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.51 1zkz h HIS 54 Cb 0.11 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 1zkz h HIS 54 CO 0.01 -0.03 0.34 0.00 -1.30 0.00 0.00 177.93 176.94 1zkz h ALA 55 N 1.38 0.84 -0.14 5.26 0.00 -1.69 0.34 119.26 125.25 1zkz h ALA 55 Ca 0.24 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1zkz h ALA 55 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1zkz h ALA 55 CO -0.33 -0.00 0.01 0.82 0.00 0.00 0.00 179.25 179.75 1zkz h ILE 56 N 0.63 0.92 -0.38 0.00 2.04 -1.20 -0.97 117.51 118.54 1zkz h ILE 56 Ca 0.29 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 66.06 1zkz h ILE 56 Cb 0.20 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1zkz h ILE 56 CO -0.19 0.01 -0.03 0.58 0.00 0.00 0.00 178.15 178.52 1zkz h VAL 57 N 0.07 1.27 -0.47 1.67 2.07 -0.56 -1.76 116.25 118.53 1zkz h VAL 57 Ca 0.06 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1zkz h VAL 57 Cb 0.07 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1zkz h VAL 57 CO -0.10 0.36 0.27 -0.61 0.02 0.00 0.00 177.57 177.51 1zkz h GLN 58 N 0.51 0.65 -0.93 1.57 4.15 -0.30 0.10 115.11 120.86 1zkz h GLN 58 Ca 0.10 -0.07 0.07 0.00 0.77 0.00 0.00 58.65 59.53 1zkz h GLN 58 Cb 0.52 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1zkz h GLN 58 CO 0.03 0.50 0.60 1.15 -1.93 0.00 0.00 178.83 179.18 1zkz h THR 59 N 0.62 1.05 -0.16 2.39 2.02 -1.02 0.15 112.91 117.97 1zkz h THR 59 Ca 0.17 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1zkz h THR 59 Cb 0.03 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1zkz h THR 59 CO -0.03 0.19 -0.10 -0.07 0.37 0.00 0.00 175.52 175.89 1zkz h LEU 60 N 1.05 0.36 -1.03 2.58 3.38 -0.78 -2.47 115.31 118.38 1zkz h LEU 60 Ca 0.41 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1zkz h LEU 60 Cb 0.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1zkz h LEU 60 CO -0.16 0.71 0.57 0.58 0.09 0.00 0.00 178.44 180.23 1zkz h VAL 61 N 0.00 1.25 -0.49 1.22 2.07 -0.78 -2.77 116.25 116.75 1zkz h VAL 61 Ca 0.03 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1zkz h VAL 61 Cb 0.59 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1zkz h VAL 61 CO 0.03 0.25 0.18 -0.74 0.02 0.00 0.00 177.57 177.30 1zkz h HIS 62 N 1.26 0.71 -0.62 1.57 -0.00 -0.68 0.56 115.15 117.95 1zkz h HIS 62 Ca 0.33 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.62 1zkz h HIS 62 Cb -0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.08 1zkz h HIS 62 CO 0.00 0.57 0.22 -0.07 -0.00 0.00 0.00 177.93 178.65 1zkz h LEU 63 N 0.70 0.85 0.04 0.26 3.38 -1.17 -1.70 115.31 117.67 1zkz h LEU 63 Ca 0.17 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 1zkz h LEU 63 Cb 0.17 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.72 1zkz h LEU 63 CO -0.01 0.78 -1.16 0.50 0.09 0.00 0.00 178.44 178.64 1zkz h LYS 64 N 0.90 0.50 -2.13 1.13 1.63 -1.23 -3.38 116.57 113.99 1zkz h LYS 64 Ca 0.21 -0.65 -0.57 0.00 -0.85 0.00 0.00 60.65 58.78 1zkz h LYS 64 Cb 0.22 0.21 -0.41 0.00 -0.60 0.00 0.00 32.23 31.66 1zkz h LYS 64 CO -0.01 1.27 -0.83 1.19 -3.45 0.00 0.00 179.45 177.62 1zkz n PHE 65 N -3.73 2.16 0.29 1.91 3.01 0.15 -4.97 117.46 116.28 1zkz n PHE 65 Ca -0.11 -3.92 0.18 0.00 1.01 0.00 0.00 57.45 54.61 1zkz n PHE 65 Cb 0.95 -0.47 0.87 0.00 -0.01 0.00 0.00 39.48 40.83 1zkz n PHE 65 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1zkz h PRO 66 N 3.71 0.00 0.00 -1.08 0.13 -1.49 -2.16 132.00 131.10 1zkz h PRO 66 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1zkz h PRO 66 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1zkz h PRO 66 CO 0.68 0.00 -1.21 0.25 -0.23 0.00 0.00 178.00 177.49 1zkz n THR 67 N -2.78 0.31 -0.03 1.56 -2.24 -1.26 -4.37 114.28 105.46 1zkz n THR 67 Ca -0.01 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.38 1zkz n THR 67 Cb 0.13 -0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 1zkz n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1zkz n LYS 68 N -2.29 0.85 -4.39 -0.78 5.02 -0.86 -5.00 118.16 110.71 1zkz n LYS 68 Ca 0.00 -0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 1zkz n LYS 68 Cb 0.51 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 33.97 1zkz n LYS 68 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zkz s VAL 69 N -2.87 0.79 0.92 -0.18 1.01 -0.92 -5.14 120.40 114.01 1zkz s VAL 69 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1zkz s VAL 69 Cb 0.08 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.90 1zkz s VAL 69 CO 0.66 0.25 1.13 -0.83 0.00 0.00 0.00 175.10 176.32 1zkz s GLY 70 N 0.29 1.57 0.61 4.51 0.00 -1.26 -4.63 107.32 108.42 1zkz s GLY 70 Ca -0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 1zkz s GLY 70 CO 0.01 0.06 0.92 0.54 0.00 0.00 0.00 173.10 174.62 1zkz s LYS 71 N -5.24 2.71 0.69 2.90 1.02 -1.26 -4.45 119.74 116.11 1zkz s LYS 71 Ca 0.64 -0.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.33 1zkz s LYS 71 Cb -0.15 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1zkz s LYS 71 CO 0.54 -0.83 1.24 0.00 -0.92 0.00 0.00 175.35 175.38 1zkz s ALA 72 N -3.03 2.25 -0.05 5.17 0.00 -1.26 -4.94 121.76 119.90 1zkz s ALA 72 Ca 0.56 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.55 1zkz s ALA 72 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1zkz s ALA 72 CO 0.44 -1.71 -0.09 0.00 0.00 0.00 0.00 175.76 174.40 1zkz s VAL 75 N 2.93 0.18 0.24 0.00 -7.23 -0.42 -4.88 120.40 111.21 1zkz s VAL 75 Ca 0.34 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1zkz s VAL 75 Cb -0.14 -1.33 -0.10 0.00 0.56 0.00 0.00 36.38 35.36 1zkz s VAL 75 CO 0.11 -0.81 1.44 -2.84 -0.31 0.00 0.00 175.10 172.68 1zkz s PRO 76 N -3.64 4.27 0.00 4.82 0.02 -1.26 -1.10 135.00 138.12 1zkz s PRO 76 Ca 0.04 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1zkz s PRO 76 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1zkz s PRO 76 CO -0.09 -0.42 0.15 0.25 -0.33 0.00 0.00 177.00 176.56 1zkz n THR 77 N 2.51 0.00 -3.78 0.99 -2.24 0.40 -4.87 114.28 107.28 1zkz n THR 77 Ca 0.07 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1zkz n THR 77 Cb 0.40 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 1zkz n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1zkz s LYS 78 N -0.69 0.28 0.10 -0.78 2.20 -1.09 -4.93 119.74 114.83 1zkz s LYS 78 Ca 0.00 0.37 0.09 0.00 -0.36 0.00 0.00 55.97 56.07 1zkz s LYS 78 Cb 0.00 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1zkz s LYS 78 CO 0.00 -0.05 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.21 1zkz s LEU 79 N 0.29 2.29 0.17 5.43 1.43 -1.26 -0.35 118.68 126.68 1zkz s LEU 79 Ca -0.01 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1zkz s LEU 79 Cb -0.03 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1zkz s LEU 79 CO -0.01 0.09 -0.09 -0.44 0.23 0.00 0.00 176.35 176.13 1zkz s SER 80 N -1.88 4.29 0.70 2.29 0.01 0.17 -4.75 113.70 114.53 1zkz s SER 80 Ca 0.08 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1zkz s SER 80 Cb -0.10 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.39 1zkz s SER 80 CO 0.04 0.11 1.08 -2.16 0.41 0.00 0.00 173.24 172.73 1zkz s PRO 81 N -2.75 2.89 0.34 12.44 0.04 -1.26 -1.26 135.00 145.44 1zkz s PRO 81 Ca 0.24 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1zkz s PRO 81 Cb -0.09 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1zkz s PRO 81 CO 0.15 -1.00 0.14 0.96 0.04 0.00 0.00 177.00 177.29 1zkz s ILE 82 N -3.33 0.52 -0.12 0.56 -4.36 -1.05 -4.80 121.20 108.62 1zkz s ILE 82 Ca 0.58 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 1zkz s ILE 82 Cb -0.11 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1zkz s ILE 82 CO 0.51 0.00 0.06 -0.44 0.24 0.00 0.00 174.94 175.31 1zkz s SER 83 N -3.46 5.68 0.13 4.36 0.01 -1.24 -0.11 113.70 119.08 1zkz s SER 83 Ca 0.32 0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1zkz s SER 83 Cb 0.05 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1zkz s SER 83 CO 0.17 0.34 -0.16 0.68 0.41 0.00 0.00 173.24 174.68 1zkz s VAL 84 N -0.65 1.54 -0.36 3.43 -7.23 -0.97 -4.61 120.40 111.55 1zkz s VAL 84 Ca 0.11 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1zkz s VAL 84 Cb -0.12 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.21 1zkz s VAL 84 CO 0.02 -0.33 0.20 -0.22 -0.31 0.00 0.00 175.10 174.46 1zkz s LEU 85 N -2.44 4.61 0.49 1.32 2.96 -0.05 -0.48 118.68 125.08 1zkz s LEU 85 Ca 0.11 -0.90 0.03 0.00 -0.22 0.00 0.00 54.13 53.15 1zkz s LEU 85 Cb -0.06 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1zkz s LEU 85 CO 0.04 -0.35 0.01 -0.72 -1.32 0.00 0.00 176.35 174.02 1zkz s TYR 86 N 1.57 2.03 -0.10 5.38 -0.85 0.42 -0.55 117.35 125.25 1zkz s TYR 86 Ca 0.03 -0.88 -0.02 0.00 -0.52 0.00 0.00 57.07 55.68 1zkz s TYR 86 Cb -0.19 -1.66 -0.03 0.00 0.38 0.00 0.00 41.96 40.46 1zkz s TYR 86 CO 0.07 0.28 -0.02 0.15 -1.52 0.00 0.00 175.55 174.50 1zkz s LYS 87 N -3.84 3.16 0.00 -3.49 1.02 -1.25 0.11 119.74 115.45 1zkz s LYS 87 Ca 0.14 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1zkz s LYS 87 Cb 0.04 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1zkz s LYS 87 CO 0.07 0.55 0.00 -0.25 -0.92 0.00 0.00 175.35 174.81 1zkz n ASP 88 N 2.59 0.00 -0.18 2.83 9.92 -0.32 -4.91 116.55 126.48 1zkz n ASP 88 Ca -0.18 -0.99 -0.03 0.00 -0.53 0.00 0.00 54.79 53.06 1zkz n ASP 88 Cb 0.53 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 41.18 1zkz n ASP 88 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1zkz h ASP 89 N 0.00 0.86 -0.17 -2.24 3.45 -2.00 0.56 116.42 116.88 1zkz h ASP 89 Ca 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1zkz h ASP 89 Cb 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1zkz h ASP 89 CO 0.00 0.79 0.00 0.80 -1.57 0.00 0.00 179.24 179.26 1zkz n MET 90 N -4.29 1.55 -0.99 3.56 1.56 -1.26 -4.88 117.12 112.37 1zkz n MET 90 Ca 0.05 -0.84 0.00 0.00 -0.27 0.00 0.00 57.70 56.64 1zkz n MET 90 Cb 0.19 -1.30 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1zkz n MET 90 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1zkz n GLY 91 N 0.99 0.39 3.68 -5.12 0.00 0.19 -5.02 105.19 100.30 1zkz n GLY 91 Ca 0.13 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1zkz n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zkz s VAL 92 N -2.00 4.44 0.06 1.61 -7.23 -1.25 -4.69 120.40 111.34 1zkz s VAL 92 Ca 0.00 1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 61.61 1zkz s VAL 92 Cb 0.00 -4.12 -0.09 0.00 0.56 0.00 0.00 36.38 32.73 1zkz s VAL 92 CO 0.00 -0.02 1.79 -2.84 -0.31 0.00 0.00 175.10 173.72 1zkz s PRO 93 N 2.29 4.16 0.00 4.82 0.02 -1.26 -1.17 135.00 143.87 1zkz s PRO 93 Ca 0.53 2.47 0.05 0.00 0.02 0.00 0.00 61.00 64.06 1zkz s PRO 93 Cb -0.22 -3.79 -0.01 0.00 0.02 0.00 0.00 34.50 30.50 1zkz s PRO 93 CO 0.19 -0.84 -0.15 -0.08 -0.33 0.00 0.00 177.00 175.80 1zkz s THR 94 N 3.30 1.17 -0.21 0.99 -1.32 0.31 -4.95 115.64 114.93 1zkz s THR 94 Ca 0.80 -0.74 -0.16 0.00 -1.21 0.00 0.00 61.69 60.38 1zkz s THR 94 Cb -0.42 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1zkz s THR 94 CO 0.36 0.25 0.38 -0.22 -2.21 0.00 0.00 174.62 173.18 1zkz s LEU 95 N -0.56 4.14 -0.42 9.08 1.98 -1.26 -0.44 118.68 131.20 1zkz s LEU 95 Ca 0.05 0.48 -0.18 0.00 -2.89 0.00 0.00 54.13 51.59 1zkz s LEU 95 Cb -0.06 -2.49 0.02 0.00 0.66 0.00 0.00 46.19 44.32 1zkz s LEU 95 CO -0.00 -0.08 0.47 -0.75 -1.89 0.00 0.00 176.35 174.10 1zkz s LYS 96 N 1.37 3.18 -0.04 1.98 2.47 0.37 -4.99 119.74 124.08 1zkz s LYS 96 Ca 0.18 -0.64 -0.22 0.00 -1.56 0.00 0.00 55.97 53.73 1zkz s LYS 96 Cb -0.15 -3.95 -0.17 0.00 -1.46 0.00 0.00 37.83 32.11 1zkz s LYS 96 CO 0.08 -0.85 0.98 -0.92 0.16 0.00 0.00 175.35 174.80 1zkz h TYR 97 N 8.73 -0.21 -3.52 4.03 3.20 -1.87 -2.57 116.97 124.76 1zkz h TYR 97 Ca -0.26 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 60.91 1zkz h TYR 97 Cb 1.11 0.07 -0.35 0.00 1.54 0.00 0.00 36.73 39.10 1zkz h TYR 97 CO 0.65 0.23 -0.42 -1.01 -1.64 0.00 0.00 178.16 175.97 1zkz s HIS 98 N -3.72 3.45 -0.62 -3.82 3.76 -1.26 -3.59 115.29 109.49 1zkz s HIS 98 Ca -0.13 -2.65 -0.23 0.00 -0.15 0.00 0.00 55.06 51.89 1zkz s HIS 98 Cb 0.01 -3.20 0.06 0.00 1.11 0.00 0.00 32.58 30.56 1zkz s HIS 98 CO 0.52 -0.87 0.95 -0.47 -0.85 0.00 0.00 174.74 174.02 1zkz s TYR 99 N 0.24 2.71 0.40 1.40 5.04 0.84 -4.91 117.35 123.07 1zkz s TYR 99 Ca 0.15 -0.34 -0.25 0.00 -2.44 0.00 0.00 57.07 54.20 1zkz s TYR 99 Cb -0.21 -4.19 -0.09 0.00 0.35 0.00 0.00 41.96 37.82 1zkz s TYR 99 CO -0.03 -1.53 1.09 -1.21 -1.34 0.00 0.00 175.55 172.52 1zkz s GLU 100 N 4.03 4.12 0.00 4.97 0.41 -1.26 -2.52 118.70 128.45 1zkz s GLU 100 Ca 0.25 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.45 1zkz s GLU 100 Cb -0.15 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1zkz s GLU 100 CO 0.14 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.11 1zkz n GLY 101 N 0.48 0.83 0.10 -1.39 0.00 -1.24 -4.92 105.19 99.05 1zkz n GLY 101 Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1zkz n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zkz n MET 102 N -1.68 0.67 -4.37 1.61 2.81 -0.39 -4.87 117.12 110.91 1zkz n MET 102 Ca 0.00 0.20 -0.23 0.00 -1.81 0.00 0.00 57.70 55.87 1zkz n MET 102 Cb 0.18 -1.69 -0.13 0.00 -0.71 0.00 0.00 33.22 30.88 1zkz n MET 102 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1zkz s SER 103 N -6.16 2.20 0.03 7.83 0.01 -0.73 -4.51 113.70 112.38 1zkz s SER 103 Ca -0.12 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1zkz s SER 103 Cb 0.07 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1zkz s SER 103 CO 0.80 0.06 1.35 -0.69 0.41 0.00 0.00 173.24 175.16 1zkz s VAL 104 N -1.02 3.73 -0.21 3.43 1.01 -1.26 0.45 120.40 126.53 1zkz s VAL 104 Ca 0.04 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 1zkz s VAL 104 Cb -0.09 -3.75 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 1zkz s VAL 104 CO 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 175.10 175.16 1zkz n ALA 105 N 4.82 1.17 -2.90 5.51 0.00 0.53 -4.70 120.51 124.94 1zkz n ALA 105 Ca 0.12 -0.88 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1zkz n ALA 105 Cb 0.44 -0.31 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 1zkz n ALA 105 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1zkz s GLU 106 N -2.52 0.38 0.18 0.00 2.02 -1.04 -4.96 118.70 112.76 1zkz s GLU 106 Ca -0.31 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.19 1zkz s GLU 106 Cb 0.09 -0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 1zkz s GLU 106 CO 0.65 0.01 0.08 0.00 0.02 0.00 0.00 175.26 176.02 1zkz s GLY 108 N -3.14 -0.11 -0.13 0.00 0.00 -0.26 -4.73 107.32 98.95 1zkz s GLY 108 Ca 0.30 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.84 1zkz s GLY 108 CO 0.21 0.41 0.26 0.00 0.00 0.00 0.00 173.10 173.99