#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kzk s GLN 2 N 0.00 3.54 -0.19 0.54 0.74 -1.26 -5.11 119.66 117.92 1kzk s GLN 2 Ca 0.00 -0.57 -0.00 0.00 0.05 0.00 0.00 55.36 54.84 1kzk s GLN 2 Cb 0.00 -2.95 0.01 0.00 1.10 0.00 0.00 33.01 31.17 1kzk s GLN 2 CO 0.00 0.06 -0.15 0.42 -0.55 0.00 0.00 175.29 175.06 1kzk s ILE 3 N 0.84 2.48 0.86 -2.34 1.01 -1.26 -5.13 121.20 117.66 1kzk s ILE 3 Ca -0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 1kzk s ILE 3 Cb -0.15 -2.07 0.11 0.00 0.01 0.00 0.00 42.46 40.37 1kzk s ILE 3 CO 0.02 0.51 1.19 0.42 0.00 0.00 0.00 174.94 177.07 1kzk s THR 4 N 1.25 1.99 -0.11 2.92 -4.23 -1.26 -5.04 115.64 111.17 1kzk s THR 4 Ca 0.03 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 1kzk s THR 4 Cb -0.14 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 71.01 1kzk s THR 4 CO -0.08 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.30 1kzk n LEU 5 N -3.50 2.18 -0.34 4.79 4.77 -1.26 -4.66 117.00 118.97 1kzk n LEU 5 Ca 0.09 -2.86 0.04 0.00 -0.03 0.00 0.00 56.01 53.25 1kzk n LEU 5 Cb 0.60 -0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.52 1kzk n LEU 5 CO 0.55 0.66 1.22 -0.50 -1.33 0.00 0.00 177.39 177.99 1kzk h TRP 6 N 0.00 1.08 -2.16 -1.77 4.06 -2.07 -3.44 115.95 111.66 1kzk h TRP 6 Ca 0.00 0.03 -0.57 0.00 2.06 0.00 0.00 58.89 60.41 1kzk h TRP 6 Cb 0.97 -0.35 -0.13 0.00 -1.00 0.00 0.00 29.16 28.65 1kzk h TRP 6 CO 0.01 0.49 -0.63 0.15 -3.56 0.00 0.00 178.44 174.90 1kzk s LYS 7 N -6.01 1.79 0.21 0.49 -0.14 -1.26 -5.11 119.74 109.71 1kzk s LYS 7 Ca -0.12 -1.98 -0.32 0.00 -1.36 0.00 0.00 55.97 52.18 1kzk s LYS 7 Cb 0.20 -1.38 -0.13 0.00 -1.68 0.00 0.00 37.83 34.85 1kzk s LYS 7 CO 0.80 -0.04 1.63 0.54 -0.76 0.00 0.00 175.35 177.52 1kzk n ARG 8 N -0.81 2.50 -2.15 1.68 1.74 -1.26 -4.85 116.66 113.51 1kzk n ARG 8 Ca -0.04 0.90 -0.38 0.00 -0.77 0.00 0.00 57.85 57.55 1kzk n ARG 8 Cb 0.66 -2.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.38 1kzk n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1kzk n PRO 9 N 3.36 2.48 -3.30 5.56 -0.04 -1.26 -4.94 135.00 136.86 1kzk n PRO 9 Ca 0.15 -2.79 -0.38 0.00 -0.04 0.00 0.00 63.50 60.44 1kzk n PRO 9 Cb 0.33 -3.48 -0.06 0.00 -0.04 0.00 0.00 33.50 30.25 1kzk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1kzk s LEU 10 N 5.70 4.23 0.24 1.53 1.43 -1.26 -1.25 118.68 129.31 1kzk s LEU 10 Ca 0.58 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1kzk s LEU 10 Cb 0.05 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1kzk s LEU 10 CO 0.08 -0.05 -0.02 0.68 0.23 0.00 0.00 176.35 177.27 1kzk s VAL 11 N 0.94 1.16 0.03 -1.59 -7.23 -0.18 -4.91 120.40 108.62 1kzk s VAL 11 Ca 0.25 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 58.11 1kzk s VAL 11 Cb -0.15 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1kzk s VAL 11 CO 0.10 -0.32 0.83 -0.89 -0.31 0.00 0.00 175.10 174.50 1kzk s THR 12 N -3.33 4.76 0.23 5.32 2.01 -1.26 -1.04 115.64 122.33 1kzk s THR 12 Ca 0.28 1.76 0.09 0.00 0.31 0.00 0.00 61.69 64.13 1kzk s THR 12 Cb 0.05 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1kzk s THR 12 CO 0.09 0.30 -0.15 0.27 -0.69 0.00 0.00 174.62 174.44 1kzk s ILE 13 N 0.27 1.92 -0.11 1.82 -4.36 0.18 -1.76 121.20 119.16 1kzk s ILE 13 Ca 0.42 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1kzk s ILE 13 Cb -0.21 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.37 1kzk s ILE 13 CO 0.24 -0.52 -0.15 -0.60 0.24 0.00 0.00 174.94 174.15 1kzk s ARG 14 N -3.62 2.26 -0.25 0.37 3.52 -0.28 -1.09 118.95 119.86 1kzk s ARG 14 Ca 0.25 -0.57 -0.17 0.00 -0.13 0.00 0.00 55.73 55.11 1kzk s ARG 14 Cb -0.01 -1.93 0.07 0.00 -1.56 0.00 0.00 34.95 31.51 1kzk s ARG 14 CO 0.09 -0.08 0.62 -1.50 -0.81 0.00 0.00 175.30 173.63 1kzk s ILE 15 N 1.04 -0.00 -1.55 4.11 -1.16 -0.50 -1.08 121.20 122.06 1kzk s ILE 15 Ca -0.05 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 1kzk s ILE 15 Cb -0.15 -0.89 0.00 0.00 0.61 0.00 0.00 42.46 42.03 1kzk s ILE 15 CO -0.03 0.01 0.00 0.61 -2.81 0.00 0.00 174.94 172.72 1kzk n GLY 16 N 3.73 0.94 2.05 1.50 0.00 -1.26 -1.18 105.19 110.97 1kzk n GLY 16 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1kzk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kzk n GLY 17 N -1.05 0.82 3.39 -0.02 0.00 -1.26 -5.04 105.19 102.03 1kzk n GLY 17 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1kzk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kzk s GLN 18 N -0.27 1.95 -0.07 1.61 -0.21 -0.33 -5.13 119.66 117.21 1kzk s GLN 18 Ca 0.00 -1.04 -0.21 0.00 0.02 0.00 0.00 55.36 54.13 1kzk s GLN 18 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1kzk s GLN 18 CO 0.00 0.53 0.60 -0.51 -2.12 0.00 0.00 175.29 173.79 1kzk s LEU 19 N -1.26 4.32 0.10 2.90 1.43 -1.26 -1.40 118.68 123.50 1kzk s LEU 19 Ca 0.13 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1kzk s LEU 19 Cb -0.10 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1kzk s LEU 19 CO 0.03 -0.03 -0.02 -0.54 0.23 0.00 0.00 176.35 176.02 1kzk s LYS 20 N 0.53 0.80 -0.07 1.70 1.02 -0.25 -4.99 119.74 118.47 1kzk s LYS 20 Ca 0.32 -1.34 -0.16 0.00 0.02 0.00 0.00 55.97 54.81 1kzk s LYS 20 Cb -0.17 0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.13 1kzk s LYS 20 CO 0.15 -0.11 0.42 -2.00 -0.92 0.00 0.00 175.35 172.88 1kzk s GLU 21 N -3.92 4.14 0.00 1.68 2.12 -1.26 -0.65 118.70 120.82 1kzk s GLU 21 Ca 0.14 0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.75 1kzk s GLU 21 Cb 0.07 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1kzk s GLU 21 CO -0.04 0.41 0.19 0.00 -0.54 0.00 0.00 175.26 175.28 1kzk s ALA 22 N -0.17 -0.46 -0.22 6.30 0.00 -0.21 -4.50 121.76 122.51 1kzk s ALA 22 Ca 0.23 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 1kzk s ALA 22 Cb -0.15 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1kzk s ALA 22 CO 0.11 -0.25 0.69 -1.17 0.00 0.00 0.00 175.76 175.15 1kzk s LEU 23 N -1.48 4.11 -0.48 0.00 2.96 -0.04 -1.01 118.68 122.74 1kzk s LEU 23 Ca -0.13 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.37 1kzk s LEU 23 Cb -0.06 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.68 1kzk s LEU 23 CO 0.02 -0.37 1.19 -0.76 -1.32 0.00 0.00 176.35 175.11 1kzk s LEU 24 N 2.31 3.61 -0.32 -0.68 1.43 -0.38 -0.82 118.68 123.83 1kzk s LEU 24 Ca 0.30 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1kzk s LEU 24 Cb -0.16 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.65 1kzk s LEU 24 CO 0.09 -1.31 0.06 -0.62 0.23 0.00 0.00 176.35 174.81 1kzk s ASP 25 N 2.76 4.45 0.24 2.29 2.15 -0.33 -4.81 116.67 123.41 1kzk s ASP 25 Ca 0.50 -1.91 0.23 0.00 0.43 0.00 0.00 52.55 51.80 1kzk s ASP 25 Cb -0.08 -1.32 0.95 0.00 -0.30 0.00 0.00 42.92 42.17 1kzk s ASP 25 CO 0.32 -0.39 1.70 0.35 -0.17 0.00 0.00 175.17 176.98 1kzk n THR 26 N 4.50 0.82 0.66 1.71 -2.24 -1.26 -2.38 114.28 116.09 1kzk n THR 26 Ca 0.01 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1kzk n THR 26 Cb 0.42 -1.12 0.42 0.00 -2.10 0.00 0.00 70.33 67.95 1kzk n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kzk n GLY 27 N 0.07 -1.69 3.70 3.38 0.00 -1.26 -4.84 105.19 104.56 1kzk n GLY 27 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1kzk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kzk s ALA 28 N -3.09 3.56 0.28 4.61 0.00 -1.00 -4.98 121.76 121.14 1kzk s ALA 28 Ca 0.11 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1kzk s ALA 28 Cb 0.13 -2.51 0.39 0.00 0.00 0.00 0.00 23.12 21.13 1kzk s ALA 28 CO 0.59 -0.07 1.66 -0.44 0.00 0.00 0.00 175.76 177.50 1kzk h ASP 29 N 6.96 0.25 -4.31 0.00 3.32 -1.88 -0.82 116.42 119.94 1kzk h ASP 29 Ca -0.39 -0.12 -0.42 0.00 0.02 0.00 0.00 57.03 56.12 1kzk h ASP 29 Cb 1.17 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1kzk h ASP 29 CO 0.74 0.69 -0.36 0.47 -1.72 0.00 0.00 179.24 179.06 1kzk n ASP 30 N -3.97 0.85 -4.38 6.45 8.00 -1.26 -2.67 116.55 119.57 1kzk n ASP 30 Ca -0.02 -2.67 -0.34 0.00 0.71 0.00 0.00 54.79 52.47 1kzk n ASP 30 Cb 0.52 0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 42.37 1kzk n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kzk s THR 31 N -2.78 3.30 -0.06 -3.53 2.01 -1.26 -3.00 115.64 110.32 1kzk s THR 31 Ca 0.19 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1kzk s THR 31 Cb 0.01 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.10 1kzk s THR 31 CO 0.13 0.49 -0.09 0.54 -0.69 0.00 0.00 174.62 175.00 1kzk s VAL 32 N 0.65 0.91 0.01 3.82 0.11 -0.50 -1.13 120.40 124.27 1kzk s VAL 32 Ca -0.05 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1kzk s VAL 32 Cb -0.15 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1kzk s VAL 32 CO 0.03 0.31 0.02 -0.76 -3.33 0.00 0.00 175.10 171.36 1kzk s LEU 33 N 0.88 3.59 0.52 2.54 1.43 0.16 -0.68 118.68 127.11 1kzk s LEU 33 Ca -0.11 0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1kzk s LEU 33 Cb -0.15 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 1kzk s LEU 33 CO 0.01 0.26 0.84 -0.62 0.23 0.00 0.00 176.35 177.08 1kzk n GLU 34 N 1.23 0.92 -1.62 1.70 1.02 -1.26 -1.97 120.64 120.67 1kzk n GLU 34 Ca -0.14 0.35 -0.53 0.00 -0.02 0.00 0.00 57.16 56.82 1kzk n GLU 34 Cb 0.53 -1.97 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1kzk n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1kzk n GLU 35 N -0.30 1.14 -3.62 3.49 4.07 -1.03 -4.62 120.64 119.78 1kzk n GLU 35 Ca 0.12 0.41 -0.16 0.00 -0.06 0.00 0.00 57.16 57.47 1kzk n GLU 35 Cb 0.44 -2.07 -0.07 0.00 -0.06 0.00 0.00 31.44 29.69 1kzk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kzk s MET 36 N 1.16 0.89 -1.28 5.31 0.23 -1.26 -5.01 119.30 119.34 1kzk s MET 36 Ca 0.88 0.11 -0.09 0.00 -1.03 0.00 0.00 55.69 55.56 1kzk s MET 36 Cb -0.98 0.42 0.17 0.00 -1.53 0.00 0.00 34.83 32.90 1kzk s MET 36 CO 0.51 -0.26 1.92 -1.71 -2.03 0.00 0.00 175.02 173.44 1kzk n ASN 37 N 1.13 5.39 -4.73 -1.18 5.15 -1.26 -4.98 115.26 114.78 1kzk n ASN 37 Ca -0.20 -3.12 -0.42 0.00 -0.60 0.00 0.00 54.58 50.24 1kzk n ASN 37 Cb 0.57 -1.46 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 1kzk n ASN 37 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1kzk s LEU 38 N -0.41 4.42 0.73 1.20 2.96 -1.26 -5.04 118.68 121.28 1kzk s LEU 38 Ca 0.41 2.09 -0.11 0.00 -0.22 0.00 0.00 54.13 56.30 1kzk s LEU 38 Cb 0.10 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1kzk s LEU 38 CO -0.00 -0.39 1.07 -2.16 -1.32 0.00 0.00 176.35 173.55 1kzk s PRO 39 N 0.39 2.64 0.00 0.98 0.04 -1.26 -5.00 135.00 132.78 1kzk s PRO 39 Ca 0.55 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1kzk s PRO 39 Cb -0.30 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1kzk s PRO 39 CO 0.32 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1kzk n GLY 40 N -2.00 2.65 3.80 0.56 0.00 -1.26 -5.05 105.19 103.88 1kzk n GLY 40 Ca 0.07 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1kzk n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzk s LYS 41 N -2.05 3.77 0.18 1.61 1.02 -1.26 -5.07 119.74 117.94 1kzk s LYS 41 Ca 0.00 1.36 -0.11 0.00 0.02 0.00 0.00 55.97 57.24 1kzk s LYS 41 Cb 0.00 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1kzk s LYS 41 CO 0.00 -0.46 0.35 1.67 -0.92 0.00 0.00 175.35 175.99 1kzk s TRP 42 N -1.99 0.30 0.03 3.18 1.48 -1.26 -4.61 118.94 116.07 1kzk s TRP 42 Ca 0.67 -0.66 0.03 0.00 -1.06 0.00 0.00 56.10 55.08 1kzk s TRP 42 Cb -0.17 0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.18 1kzk s TRP 42 CO 0.21 -0.79 -0.09 -1.59 -4.06 0.00 0.00 176.95 170.63 1kzk s LYS 43 N -3.96 0.62 0.47 3.25 -2.85 -0.77 -4.92 119.74 111.58 1kzk s LYS 43 Ca 0.16 -0.58 -0.21 0.00 -1.00 0.00 0.00 55.97 54.34 1kzk s LYS 43 Cb 0.02 -0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 35.17 1kzk s LYS 43 CO 0.01 0.13 1.05 -1.25 0.10 0.00 0.00 175.35 175.38 1kzk s PRO 44 N -1.00 3.88 -0.01 1.78 0.04 -1.26 -0.36 135.00 138.07 1kzk s PRO 44 Ca -0.03 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1kzk s PRO 44 Cb -0.07 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1kzk s PRO 44 CO 0.00 -0.37 0.28 0.21 0.04 0.00 0.00 177.00 177.17 1kzk s LYS 45 N -3.05 0.65 -0.09 4.56 2.20 -0.72 -4.88 119.74 118.41 1kzk s LYS 45 Ca 0.65 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 1kzk s LYS 45 Cb -0.18 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1kzk s LYS 45 CO 0.22 -0.18 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.30 1kzk s MET 46 N -1.38 2.95 0.05 4.03 -1.94 -1.26 -0.93 119.30 120.81 1kzk s MET 46 Ca -0.13 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.31 1kzk s MET 46 Cb -0.05 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1kzk s MET 46 CO 0.04 0.50 -0.21 0.96 -0.01 0.00 0.00 175.02 176.29 1kzk s ILE 47 N -0.38 1.70 0.04 2.53 -4.36 -0.65 -4.98 121.20 115.11 1kzk s ILE 47 Ca 0.05 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1kzk s ILE 47 Cb -0.12 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.08 1kzk s ILE 47 CO 0.02 0.20 -0.08 -0.83 0.24 0.00 0.00 174.94 174.49 1kzk s GLY 48 N -1.23 0.50 0.00 6.27 0.00 -1.26 -1.21 107.32 110.39 1kzk s GLY 48 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1kzk s GLY 48 CO 0.02 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1kzk n GLY 49 N 1.60 2.57 3.69 0.20 0.00 -0.51 -4.98 105.19 107.75 1kzk n GLY 49 Ca -0.22 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1kzk n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kzk n ILE 50 N 0.00 0.20 0.00 -0.61 2.08 -1.26 -1.14 119.36 118.63 1kzk n ILE 50 Ca 0.00 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1kzk n ILE 50 Cb 0.00 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 1kzk n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1kzk n GLY 51 N 3.95 1.23 0.00 7.39 0.00 -1.26 -4.95 105.19 111.55 1kzk n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1kzk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kzk n GLY 52 N -2.00 -0.11 3.72 -0.02 0.00 -0.29 -5.06 105.19 101.43 1kzk n GLY 52 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1kzk n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kzk s PHE 53 N 0.00 3.05 0.13 1.61 0.40 -1.26 -1.43 117.98 120.48 1kzk s PHE 53 Ca 0.00 0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1kzk s PHE 53 Cb 0.00 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1kzk s PHE 53 CO 0.00 0.49 -0.18 0.96 0.70 0.00 0.00 175.22 177.20 1kzk s ILE 54 N -1.36 1.61 -0.05 0.64 -4.36 -0.35 -4.98 121.20 112.35 1kzk s ILE 54 Ca 0.27 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 58.76 1kzk s ILE 54 Cb -0.12 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 1kzk s ILE 54 CO 0.20 -0.25 0.56 -0.75 0.24 0.00 0.00 174.94 174.93 1kzk s LYS 55 N -2.40 4.32 0.22 0.37 2.20 -1.26 -1.63 119.74 121.56 1kzk s LYS 55 Ca 0.10 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1kzk s LYS 55 Cb -0.07 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1kzk s LYS 55 CO 0.05 0.26 0.03 0.14 -0.36 0.00 0.00 175.35 175.47 1kzk s VAL 56 N 0.20 0.78 -0.21 4.02 -7.23 -0.11 -4.41 120.40 113.44 1kzk s VAL 56 Ca 0.30 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1kzk s VAL 56 Cb -0.17 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1kzk s VAL 56 CO 0.15 -0.26 0.11 -0.13 -0.31 0.00 0.00 175.10 174.66 1kzk s ARG 57 N -3.93 4.02 -0.27 4.82 0.52 0.06 -1.76 118.95 122.41 1kzk s ARG 57 Ca 0.30 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.08 1kzk s ARG 57 Cb 0.07 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1kzk s ARG 57 CO 0.09 0.16 0.27 -1.14 0.02 0.00 0.00 175.30 174.70 1kzk s GLN 58 N 0.74 3.99 -0.08 3.54 0.74 0.51 -1.02 119.66 128.08 1kzk s GLN 58 Ca 0.06 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1kzk s GLN 58 Cb -0.13 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1kzk s GLN 58 CO 0.02 -0.20 -0.11 0.71 -0.55 0.00 0.00 175.29 175.15 1kzk s TYR 59 N 1.84 2.83 0.21 1.67 1.51 -0.35 -1.84 117.35 123.21 1kzk s TYR 59 Ca 0.11 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1kzk s TYR 59 Cb -0.16 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1kzk s TYR 59 CO 0.10 0.13 0.02 -0.51 -1.11 0.00 0.00 175.55 174.19 1kzk s ASP 60 N -0.45 4.79 -1.38 2.29 1.01 -1.26 -1.36 116.67 120.32 1kzk s ASP 60 Ca 0.06 -0.45 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1kzk s ASP 60 Cb -0.12 -1.01 0.02 0.00 1.01 0.00 0.00 42.92 42.81 1kzk s ASP 60 CO 0.02 0.05 0.66 0.00 0.21 0.00 0.00 175.17 176.11 1kzk n GLN 61 N -0.46 -4.48 -3.34 8.23 1.13 -1.14 -4.92 117.38 112.39 1kzk n GLN 61 Ca -0.09 0.55 -0.39 0.00 -1.94 0.00 0.00 57.00 55.13 1kzk n GLN 61 Cb 0.57 -5.03 -0.08 0.00 0.11 0.00 0.00 30.24 25.80 1kzk n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kzk s ILE 62 N -3.69 5.15 0.29 5.09 -1.09 -0.32 -4.75 121.20 121.88 1kzk s ILE 62 Ca 0.11 0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 1kzk s ILE 62 Cb -0.06 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.97 1kzk s ILE 62 CO 0.84 0.18 1.37 -2.84 -1.23 0.00 0.00 174.94 173.26 1kzk s PRO 63 N 1.82 4.31 -0.03 2.79 0.02 -1.26 -2.18 135.00 140.47 1kzk s PRO 63 Ca 0.19 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1kzk s PRO 63 Cb -0.15 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1kzk s PRO 63 CO 0.09 -0.30 -0.01 0.08 -0.33 0.00 0.00 177.00 176.52 1kzk s VAL 64 N -0.60 0.23 -0.14 3.83 1.01 -0.38 -4.46 120.40 119.89 1kzk s VAL 64 Ca 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1kzk s VAL 64 Cb -0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1kzk s VAL 64 CO 0.49 0.14 -0.03 -0.70 0.00 0.00 0.00 175.10 175.00 1kzk s GLU 65 N 0.78 3.51 -0.26 2.72 2.12 -0.24 -0.66 118.70 126.67 1kzk s GLU 65 Ca -0.08 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1kzk s GLU 65 Cb -0.11 -2.88 0.06 0.00 0.26 0.00 0.00 34.13 31.45 1kzk s GLU 65 CO -0.01 0.35 -0.10 0.42 -0.54 0.00 0.00 175.26 175.37 1kzk s ILE 66 N 0.08 2.20 -1.56 -3.70 1.01 0.37 -1.12 121.20 118.47 1kzk s ILE 66 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 58.87 1kzk s ILE 66 Cb -0.13 -2.30 0.10 0.00 0.01 0.00 0.00 42.46 40.13 1kzk s ILE 66 CO 0.03 -0.04 0.85 0.00 0.00 0.00 0.00 174.94 175.77 1kzk n GLY 68 N -1.61 1.52 3.53 0.00 0.00 -1.26 -5.03 105.19 102.34 1kzk n GLY 68 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1kzk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kzk s HIS 69 N -2.64 3.10 0.23 1.61 4.02 -0.21 -5.08 115.29 116.31 1kzk s HIS 69 Ca 0.00 -0.21 -0.23 0.00 1.02 0.00 0.00 55.06 55.64 1kzk s HIS 69 Cb 0.00 -2.02 -0.09 0.00 -1.02 0.00 0.00 32.58 29.45 1kzk s HIS 69 CO 0.00 -0.02 0.79 0.15 1.02 0.00 0.00 174.74 176.68 1kzk s LYS 70 N 0.50 4.42 0.18 1.40 1.02 -1.26 -0.48 119.74 125.52 1kzk s LYS 70 Ca -0.01 1.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.98 1kzk s LYS 70 Cb -0.14 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1kzk s LYS 70 CO 0.02 0.42 0.25 0.00 -0.92 0.00 0.00 175.35 175.12 1kzk s ALA 71 N -1.43 0.38 -0.23 5.17 0.00 0.17 -4.75 121.76 121.06 1kzk s ALA 71 Ca 0.42 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1kzk s ALA 71 Cb -0.19 1.03 0.07 0.00 0.00 0.00 0.00 23.12 24.03 1kzk s ALA 71 CO 0.23 -0.65 0.57 -1.50 0.00 0.00 0.00 175.76 174.41 1kzk s ILE 72 N -4.04 -0.01 -1.56 0.00 2.07 -1.26 -1.25 121.20 115.16 1kzk s ILE 72 Ca 0.25 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1kzk s ILE 72 Cb 0.04 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.80 1kzk s ILE 72 CO 0.05 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1kzk n GLY 73 N 4.19 -0.56 3.73 1.50 0.00 -0.93 -4.87 105.19 108.24 1kzk n GLY 73 Ca -0.21 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1kzk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kzk s THR 74 N -3.14 4.40 -0.07 2.61 2.01 -1.26 -1.17 115.64 119.02 1kzk s THR 74 Ca 0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.02 1kzk s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1kzk s THR 74 CO 0.00 0.31 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 1kzk s VAL 75 N -0.01 1.19 -0.03 3.82 1.01 -0.46 -4.56 120.40 121.34 1kzk s VAL 75 Ca 0.47 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1kzk s VAL 75 Cb -0.24 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1kzk s VAL 75 CO 0.31 0.37 0.14 -0.76 0.00 0.00 0.00 175.10 175.16 1kzk s LEU 76 N 0.63 4.24 -0.07 3.92 1.43 -0.29 -1.21 118.68 127.32 1kzk s LEU 76 Ca -0.15 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1kzk s LEU 76 Cb -0.16 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1kzk s LEU 76 CO 0.04 0.30 -0.11 -0.69 0.23 0.00 0.00 176.35 176.12 1kzk s VAL 77 N -1.22 1.09 -0.94 -1.59 1.01 -0.19 -0.67 120.40 117.90 1kzk s VAL 77 Ca 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1kzk s VAL 77 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1kzk s VAL 77 CO 0.14 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1kzk n GLY 78 N 4.05 -0.85 1.89 4.51 0.00 -0.83 -0.76 105.19 113.19 1kzk n GLY 78 Ca -0.21 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 1kzk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kzk n PRO 79 N 0.00 1.32 -2.49 1.61 -0.04 -1.26 -2.48 135.00 131.67 1kzk n PRO 79 Ca 0.00 -0.50 -0.39 0.00 -0.04 0.00 0.00 63.50 62.58 1kzk n PRO 79 Cb 0.00 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1kzk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1kzk s THR 80 N 0.95 3.55 -0.75 0.52 -1.32 -1.26 -4.96 115.64 112.36 1kzk s THR 80 Ca 0.33 1.39 0.24 0.00 -1.21 0.00 0.00 61.69 62.44 1kzk s THR 80 Cb 0.16 -3.82 0.24 0.00 -1.51 0.00 0.00 72.50 67.57 1kzk s THR 80 CO 0.00 0.21 1.74 -0.81 -2.21 0.00 0.00 174.62 173.54 1kzk n PRO 81 N 0.63 0.15 -3.81 7.08 -0.04 -1.26 -4.58 135.00 133.17 1kzk n PRO 81 Ca 0.02 0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1kzk n PRO 81 Cb 0.47 -1.71 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 1kzk n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kzk s VAL 82 N -3.13 0.01 0.14 0.52 0.11 -1.26 -5.04 120.40 111.75 1kzk s VAL 82 Ca 0.09 -0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 1kzk s VAL 82 Cb 0.12 -0.31 -0.09 0.00 -1.53 0.00 0.00 36.38 34.57 1kzk s VAL 82 CO 0.47 -0.04 1.50 0.20 -3.33 0.00 0.00 175.10 173.90 1kzk s ASN 83 N -0.04 6.68 -0.11 3.54 0.01 -1.26 -4.55 114.94 119.20 1kzk s ASN 83 Ca -0.01 2.50 -0.00 0.00 -0.71 0.00 0.00 52.86 54.64 1kzk s ASN 83 Cb -0.02 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1kzk s ASN 83 CO 0.00 -0.76 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.12 1kzk s ILE 84 N 1.13 1.12 -0.30 0.60 1.01 0.14 -0.86 121.20 124.05 1kzk s ILE 84 Ca 0.68 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 1kzk s ILE 84 Cb -0.41 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1kzk s ILE 84 CO 0.31 0.38 0.47 -0.63 0.00 0.00 0.00 174.94 175.47 1kzk s ILE 85 N 1.58 5.08 0.12 2.92 -1.09 0.00 -1.41 121.20 128.41 1kzk s ILE 85 Ca 0.03 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.04 1kzk s ILE 85 Cb -0.13 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1kzk s ILE 85 CO -0.08 -0.01 0.12 0.61 -1.23 0.00 0.00 174.94 174.36 1kzk n GLY 86 N 4.64 2.48 0.24 6.18 0.00 -1.16 -1.19 105.19 116.38 1kzk n GLY 86 Ca -0.06 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.83 1kzk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kzk h ARG 87 N 0.00 0.18 -0.85 1.61 3.08 -1.16 -1.31 114.38 115.91 1kzk h ARG 87 Ca -0.06 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.07 1kzk h ARG 87 Cb 0.26 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1kzk h ARG 87 CO 0.10 0.28 0.55 -2.95 -1.07 0.00 0.00 179.97 176.88 1kzk h ASN 88 N 0.17 0.68 0.02 7.04 -1.07 -1.78 -1.97 115.58 118.67 1kzk h ASN 88 Ca 0.04 0.03 -0.37 0.00 0.07 0.00 0.00 56.30 56.07 1kzk h ASN 88 Cb 0.28 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.35 1kzk h ASN 88 CO 0.02 0.38 -2.38 0.18 0.07 0.00 0.00 177.43 175.70 1kzk n LEU 89 N -4.53 0.55 -0.37 6.14 4.77 -0.91 -4.31 117.00 118.33 1kzk n LEU 89 Ca 0.15 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1kzk n LEU 89 Cb 0.39 0.24 0.16 0.00 -2.33 0.00 0.00 43.42 41.87 1kzk n LEU 89 CO 0.31 0.57 1.28 -0.07 -1.33 0.00 0.00 177.39 178.15 1kzk h LEU 90 N 0.00 1.08 -1.34 2.23 3.38 -1.07 -1.55 115.31 118.04 1kzk h LEU 90 Ca -0.54 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 1kzk h LEU 90 Cb 2.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1kzk h LEU 90 CO 0.01 0.72 -0.21 0.71 0.09 0.00 0.00 178.44 179.77 1kzk h THR 91 N 1.24 1.20 0.00 0.22 1.35 -1.57 -2.06 112.91 113.29 1kzk h THR 91 Ca 0.41 -0.94 -0.04 0.00 -0.55 0.00 0.00 66.41 65.29 1kzk h THR 91 Cb 0.05 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1kzk h THR 91 CO -0.14 0.28 -0.20 1.56 -0.25 0.00 0.00 175.52 176.77 1kzk h GLN 92 N 0.17 0.00 -0.32 4.72 4.20 -1.47 -2.33 115.11 120.08 1kzk h GLN 92 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1kzk h GLN 92 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1kzk h GLN 92 CO 0.03 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 1kzk n ILE 93 N -3.45 0.41 -1.08 2.54 -5.35 -1.09 -4.95 119.36 106.39 1kzk n ILE 93 Ca -0.00 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1kzk n ILE 93 Cb 0.38 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1kzk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kzk n GLY 94 N 1.45 0.42 3.74 3.28 0.00 -0.88 -5.00 105.19 108.20 1kzk n GLY 94 Ca 0.18 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1kzk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kzk s THR 96 N -0.28 1.66 -0.19 0.00 -4.23 -1.26 -4.73 115.64 106.61 1kzk s THR 96 Ca 0.47 -2.15 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 1kzk s THR 96 Cb -0.26 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 1kzk s THR 96 CO 0.32 -0.58 0.29 -0.22 -0.54 0.00 0.00 174.62 173.88 1kzk s LEU 97 N -3.20 4.20 -0.03 4.79 2.96 -1.26 -5.10 118.68 121.03 1kzk s LEU 97 Ca 0.21 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1kzk s LEU 97 Cb -0.01 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1kzk s LEU 97 CO 0.06 0.05 -0.12 0.20 -1.32 0.00 0.00 176.35 175.22 1kzk s ASN 98 N 0.72 1.48 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.39 1kzk s ASN 98 Ca 0.15 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 1kzk s ASN 98 Cb -0.13 -0.34 0.00 0.00 -0.02 0.00 0.00 41.25 40.76 1kzk s ASN 98 CO 0.05 0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.90