#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 n GLY 2 N 0.00 -1.11 2.96 -5.12 0.00 -1.26 -5.15 105.19 95.51 2kz5 n GLY 2 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 2kz5 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kz5 s HIS 3 N -3.00 1.33 -0.39 1.61 4.02 -1.26 -5.11 115.29 112.48 2kz5 s HIS 3 Ca 0.00 -0.54 -0.24 0.00 1.02 0.00 0.00 55.06 55.30 2kz5 s HIS 3 Cb 0.00 -1.05 0.02 0.00 -1.02 0.00 0.00 32.58 30.53 2kz5 s HIS 3 CO 0.00 -0.34 0.85 -1.01 1.02 0.00 0.00 174.74 175.26 2kz5 s HIS 4 N 1.06 3.05 0.24 1.40 0.09 -1.26 -5.05 115.29 114.83 2kz5 s HIS 4 Ca -0.07 0.53 0.07 0.00 -0.00 0.00 0.00 55.06 55.58 2kz5 s HIS 4 Cb -0.14 -3.60 -0.04 0.00 -0.00 0.00 0.00 32.58 28.79 2kz5 s HIS 4 CO -0.01 -0.86 0.18 -3.38 -0.00 0.00 0.00 174.74 170.67 2kz5 s HIS 5 N 3.34 3.09 -0.30 1.40 0.00 -1.26 -5.13 115.29 116.44 2kz5 s HIS 5 Ca 0.34 -0.11 -0.11 0.00 -3.00 0.00 0.00 55.06 52.18 2kz5 s HIS 5 Cb -0.12 -1.40 0.12 0.00 -4.00 0.00 0.00 32.58 27.18 2kz5 s HIS 5 CO 0.20 0.53 0.66 -3.38 -1.00 0.00 0.00 174.74 171.75 2kz5 s HIS 6 N -2.09 -1.30 -0.05 0.38 0.00 -1.26 -5.16 115.29 105.80 2kz5 s HIS 6 Ca 0.32 2.30 0.06 0.00 -3.00 0.00 0.00 55.06 54.74 2kz5 s HIS 6 Cb -0.08 0.78 -0.01 0.00 -4.00 0.00 0.00 32.58 29.27 2kz5 s HIS 6 CO 0.24 -0.64 -0.23 -3.38 -1.00 0.00 0.00 174.74 169.73 2kz5 s HIS 7 N 2.70 2.23 -0.03 0.38 0.00 -1.26 -5.14 115.29 114.17 2kz5 s HIS 7 Ca -0.07 -0.64 -0.03 0.00 -3.00 0.00 0.00 55.06 51.32 2kz5 s HIS 7 Cb -0.11 -1.47 0.01 0.00 -4.00 0.00 0.00 32.58 27.01 2kz5 s HIS 7 CO -0.19 -0.19 0.09 -3.38 -1.00 0.00 0.00 174.74 170.06 2kz5 s HIS 8 N -0.13 -0.10 0.10 0.38 0.00 -1.26 -5.16 115.29 109.11 2kz5 s HIS 8 Ca -0.03 0.24 0.07 0.00 -3.00 0.00 0.00 55.06 52.34 2kz5 s HIS 8 Cb -0.13 0.03 -0.03 0.00 -4.00 0.00 0.00 32.58 28.45 2kz5 s HIS 8 CO 0.03 -0.05 -0.17 -1.54 -1.00 0.00 0.00 174.74 172.01 2kz5 s SER 9 N 0.05 2.15 -0.01 7.38 1.04 -1.26 -5.10 113.70 117.96 2kz5 s SER 9 Ca -0.00 -0.69 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 2kz5 s SER 9 Cb -0.01 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 2kz5 s SER 9 CO 0.00 -0.02 -0.01 1.41 0.98 0.00 0.00 173.24 175.60 2kz5 n HIS 10 N 1.04 0.02 -2.97 5.02 -0.00 -1.26 -4.88 115.22 112.19 2kz5 n HIS 10 Ca -0.19 0.01 -0.42 0.00 -0.00 0.00 0.00 57.72 57.12 2kz5 n HIS 10 Cb 0.54 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.99 30.29 2kz5 n HIS 10 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2kz5 s MET 11 N -1.05 3.75 -0.62 -0.41 0.00 -1.26 -5.01 119.30 114.71 2kz5 s MET 11 Ca -0.01 0.29 0.02 0.00 0.00 0.00 0.00 55.69 56.00 2kz5 s MET 11 Cb 0.00 -3.81 0.15 0.00 0.00 0.00 0.00 34.83 31.18 2kz5 s MET 11 CO 0.01 -0.83 0.40 0.00 0.00 0.00 0.00 175.02 174.59 2kz5 s ALA 12 N 3.05 3.56 0.39 4.11 0.00 -1.26 -5.03 121.76 126.59 2kz5 s ALA 12 Ca 0.31 -3.45 0.00 0.00 0.00 0.00 0.00 51.96 48.82 2kz5 s ALA 12 Cb -0.13 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2kz5 s ALA 12 CO 0.16 -2.07 0.00 1.63 0.00 0.00 0.00 175.76 175.48 2kz5 n LYS 13 N 2.87 -3.80 -1.50 0.00 5.02 -1.26 -5.00 118.16 114.48 2kz5 n LYS 13 Ca 0.10 2.81 -0.30 0.00 -2.02 0.00 0.00 58.31 58.91 2kz5 n LYS 13 Cb 0.34 -3.14 0.20 0.00 -0.02 0.00 0.00 35.03 32.41 2kz5 n LYS 13 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kz5 s PRO 14 N -3.77 -0.05 -0.17 1.97 0.04 -1.26 -5.10 135.00 126.65 2kz5 s PRO 14 Ca 0.00 -0.14 -0.06 0.00 0.04 0.00 0.00 61.00 60.83 2kz5 s PRO 14 Cb 0.00 -1.74 0.08 0.00 0.04 0.00 0.00 34.50 32.88 2kz5 s PRO 14 CO 0.00 -2.92 0.37 0.99 0.04 0.00 0.00 177.00 175.48 2kz5 s THR 15 N -3.41 -0.51 0.25 1.26 2.01 -1.26 -5.17 115.64 108.81 2kz5 s THR 15 Ca 0.71 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2kz5 s THR 15 Cb -0.08 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2kz5 s THR 15 CO 0.54 0.08 0.41 0.00 -0.69 0.00 0.00 174.62 174.96 2kz5 s ALA 16 N 2.41 3.85 -0.09 7.40 0.00 -1.26 -5.11 121.76 128.96 2kz5 s ALA 16 Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2kz5 s ALA 16 Cb -0.12 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2kz5 s ALA 16 CO -0.12 0.23 -0.17 -0.98 0.00 0.00 0.00 175.76 174.73 2kz5 s ARG 17 N -3.88 2.99 0.00 0.00 1.70 -1.26 -5.04 118.95 113.47 2kz5 s ARG 17 Ca 0.36 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2kz5 s ARG 17 Cb -0.10 -2.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2kz5 s ARG 17 CO 0.31 0.33 0.00 0.41 -1.08 0.00 0.00 175.30 175.27 2kz5 n GLY 18 N 3.14 1.49 3.79 3.88 0.00 -1.26 -5.17 105.19 111.07 2kz5 n GLY 18 Ca -0.18 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2kz5 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kz5 s GLU 19 N 0.00 2.92 0.32 1.61 -1.05 -1.26 -5.08 118.70 116.16 2kz5 s GLU 19 Ca 0.00 -0.76 -0.05 0.00 -0.15 0.00 0.00 54.97 54.01 2kz5 s GLU 19 Cb 0.00 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 2kz5 s GLU 19 CO 0.00 0.53 0.47 0.00 0.95 0.00 0.00 175.26 177.21 2kz5 s ALA 20 N -1.57 0.57 0.00 -0.84 0.00 -1.26 -5.12 121.76 113.56 2kz5 s ALA 20 Ca 0.30 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 2kz5 s ALA 20 Cb -0.11 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 2kz5 s ALA 20 CO 0.23 -0.80 -0.05 0.41 0.00 0.00 0.00 175.76 175.55 2kz5 n GLY 21 N -0.52 -0.08 3.79 0.00 0.00 -1.26 -4.95 105.19 102.17 2kz5 n GLY 21 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2kz5 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz5 s SER 22 N -5.61 5.22 0.10 1.61 0.01 -1.26 -4.85 113.70 108.92 2kz5 s SER 22 Ca -0.05 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 2kz5 s SER 22 Cb 0.01 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 2kz5 s SER 22 CO 0.06 -1.55 1.61 0.03 0.41 0.00 0.00 173.24 173.80 2kz5 h ARG 23 N -0.37 -0.64 -0.43 12.44 -0.00 -1.99 -0.67 114.38 122.73 2kz5 h ARG 23 Ca -0.45 0.04 0.07 0.00 -0.50 0.00 0.00 59.98 59.14 2kz5 h ARG 23 Cb 1.22 0.14 -0.06 0.00 0.00 0.00 0.00 29.97 31.28 2kz5 h ARG 23 CO 0.55 -0.42 0.08 0.38 0.00 0.00 0.00 179.97 180.56 2kz5 h ASP 24 N -0.66 -0.01 -0.62 7.04 3.04 -1.99 -0.57 116.42 122.66 2kz5 h ASP 24 Ca -0.00 0.08 0.12 0.00 -3.24 0.00 0.00 57.03 53.98 2kz5 h ASP 24 Cb 0.63 0.11 -0.09 0.00 -1.04 0.00 0.00 39.33 38.94 2kz5 h ASP 24 CO -0.12 0.03 0.11 -0.33 -2.04 0.00 0.00 179.24 176.89 2kz5 h GLU 25 N 0.21 0.23 -0.42 4.15 5.08 -1.88 0.14 114.58 122.08 2kz5 h GLU 25 Ca 0.21 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2kz5 h GLU 25 Cb 0.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kz5 h GLU 25 CO -0.28 0.15 0.05 0.00 -1.00 0.00 0.00 179.01 177.93 2kz5 h ARG 26 N 0.24 0.65 -0.19 2.33 2.47 -0.14 -2.73 114.38 117.02 2kz5 h ARG 26 Ca 0.33 -0.14 -0.18 0.00 -1.26 0.00 0.00 59.98 58.73 2kz5 h ARG 26 Cb 0.50 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2kz5 h ARG 26 CO -0.43 0.64 -0.62 0.00 0.56 0.00 0.00 179.97 180.12 2kz5 h ARG 27 N 0.63 0.64 0.72 0.04 2.47 -0.10 -2.85 114.38 115.93 2kz5 h ARG 27 Ca 0.14 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 58.38 2kz5 h ARG 27 Cb 0.32 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2kz5 h ARG 27 CO 0.01 1.06 -0.36 0.00 0.56 0.00 0.00 179.97 181.24 2kz5 h ALA 28 N 0.83 -0.98 0.00 0.04 0.00 -0.48 -0.86 119.26 117.81 2kz5 h ALA 28 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kz5 h ALA 28 Cb 1.20 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2kz5 h ALA 28 CO 0.12 -1.05 -0.15 1.37 0.00 0.00 0.00 179.25 179.54 2kz5 h LEU 29 N -0.98 0.00 -0.24 0.00 8.10 -1.60 -0.56 115.31 120.03 2kz5 h LEU 29 Ca -0.10 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.78 2kz5 h LEU 29 Cb 0.76 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 2kz5 h LEU 29 CO 0.15 0.15 -0.30 0.00 -4.11 0.00 0.00 178.44 174.34 2kz5 h ALA 30 N 1.85 0.36 -0.25 0.17 0.00 -1.24 -3.07 119.26 117.08 2kz5 h ALA 30 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kz5 h ALA 30 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 30 CO 0.02 0.38 0.00 -1.33 0.00 0.00 0.00 179.25 178.32 2kz5 n MET 31 N -4.30 1.99 -3.21 0.00 2.81 -0.35 -4.92 117.12 109.14 2kz5 n MET 31 Ca -0.05 -1.07 -0.15 0.00 -1.81 0.00 0.00 57.70 54.62 2kz5 n MET 31 Cb 0.47 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 31.60 2kz5 n MET 31 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kz5 n LYS 32 N 0.28 -4.47 -3.16 0.03 5.02 -0.86 -4.92 118.16 110.09 2kz5 n LYS 32 Ca 0.10 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.74 2kz5 n LYS 32 Cb 0.39 -5.49 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 2kz5 n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kz5 s ILE 33 N -3.34 4.91 -0.83 -0.18 -1.09 -0.27 -4.96 121.20 115.45 2kz5 s ILE 33 Ca 0.16 0.24 0.25 0.00 -2.23 0.00 0.00 60.65 59.07 2kz5 s ILE 33 Cb -0.02 -4.10 0.24 0.00 -1.58 0.00 0.00 42.46 37.00 2kz5 s ILE 33 CO 0.66 -0.42 1.78 -0.81 -1.23 0.00 0.00 174.94 174.92 2kz5 n PRO 34 N 6.02 0.12 -4.61 2.79 -0.04 -1.26 -4.66 135.00 133.36 2kz5 n PRO 34 Ca -0.03 0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 2kz5 n PRO 34 Cb 0.48 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 2kz5 n PRO 34 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2kz5 s PHE 35 N -3.08 2.70 0.52 0.54 -0.71 -1.26 -5.11 117.98 111.58 2kz5 s PHE 35 Ca 0.10 -0.16 -0.21 0.00 -1.04 0.00 0.00 56.93 55.62 2kz5 s PHE 35 Cb 0.14 -1.54 -0.06 0.00 -1.21 0.00 0.00 43.02 40.35 2kz5 s PHE 35 CO 0.50 0.29 1.22 -1.25 -1.34 0.00 0.00 175.22 174.64 2kz5 s PRO 36 N -1.35 3.37 0.36 1.99 0.04 -1.26 -4.95 135.00 133.21 2kz5 s PRO 36 Ca 0.15 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2kz5 s PRO 36 Cb -0.11 -2.22 0.69 0.00 0.04 0.00 0.00 34.50 32.91 2kz5 s PRO 36 CO 0.06 -0.90 1.89 1.79 0.04 0.00 0.00 177.00 179.88 2kz5 h THR 37 N 1.47 1.19 -0.68 1.26 1.35 -1.98 -2.27 112.91 113.25 2kz5 h THR 37 Ca -0.50 -0.78 0.08 0.00 -0.55 0.00 0.00 66.41 64.66 2kz5 h THR 37 Cb 1.27 1.08 -0.04 0.00 -1.73 0.00 0.00 68.15 68.73 2kz5 h THR 37 CO 0.58 0.26 0.45 0.44 -0.25 0.00 0.00 175.52 177.00 2kz5 h ASP 38 N 0.36 0.55 -0.30 5.36 5.19 -2.00 -0.96 116.42 124.62 2kz5 h ASP 38 Ca 0.08 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 2kz5 h ASP 38 Cb 0.35 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2kz5 h ASP 38 CO 0.02 0.34 -0.25 0.50 -3.12 0.00 0.00 179.24 176.73 2kz5 h LYS 39 N 0.62 0.71 -0.36 3.56 3.64 -1.79 -2.84 116.57 120.10 2kz5 h LYS 39 Ca 0.30 -0.36 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2kz5 h LYS 39 Cb 0.38 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2kz5 h LYS 39 CO -0.10 0.97 0.04 0.82 -2.27 0.00 0.00 179.45 178.91 2kz5 h ILE 40 N 0.46 0.78 -0.24 2.00 2.04 -1.08 -2.66 117.51 118.82 2kz5 h ILE 40 Ca 0.05 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2kz5 h ILE 40 Cb 0.81 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2kz5 h ILE 40 CO 0.07 0.03 -0.41 0.58 0.00 0.00 0.00 178.15 178.42 2kz5 h VAL 41 N 0.16 1.30 -0.01 1.67 2.07 -1.28 -3.24 116.25 116.92 2kz5 h VAL 41 Ca 0.17 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2kz5 h VAL 41 Cb 0.22 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2kz5 h VAL 41 CO -0.25 0.49 -0.11 0.59 0.02 0.00 0.00 177.57 178.31 2kz5 n ASN 42 N -4.03 1.05 -4.78 0.57 3.02 -1.07 -4.78 115.26 105.23 2kz5 n ASN 42 Ca -0.02 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 53.06 2kz5 n ASN 42 Cb 0.52 0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 2kz5 n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kz5 s LEU 43 N -2.27 4.46 0.96 3.41 1.43 -1.02 -5.08 118.68 120.57 2kz5 s LEU 43 Ca 0.32 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 2kz5 s LEU 43 Cb 0.20 -2.93 0.17 0.00 0.03 0.00 0.00 46.19 43.66 2kz5 s LEU 43 CO 0.43 0.17 1.13 -2.16 0.23 0.00 0.00 176.35 176.14 2kz5 s PRO 44 N -0.55 0.74 0.24 1.29 0.04 -1.26 -4.66 135.00 130.84 2kz5 s PRO 44 Ca 0.31 0.31 -0.07 0.00 0.04 0.00 0.00 61.00 61.59 2kz5 s PRO 44 Cb -0.19 -1.79 0.41 0.00 0.04 0.00 0.00 34.50 32.97 2kz5 s PRO 44 CO 0.18 -2.47 1.68 -0.24 0.04 0.00 0.00 177.00 176.19 2kz5 h VAL 45 N -1.70 0.50 0.61 -0.36 3.04 -1.98 0.16 116.25 116.53 2kz5 h VAL 45 Ca -0.51 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.07 2kz5 h VAL 45 Cb 1.33 0.26 0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2kz5 h VAL 45 CO 0.59 0.04 -0.30 0.44 -1.01 0.00 0.00 177.57 177.33 2kz5 h ASP 46 N 0.22 -0.70 -0.60 3.17 5.19 -2.00 -1.28 116.42 120.43 2kz5 h ASP 46 Ca 0.39 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 2kz5 h ASP 46 Cb 0.66 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.31 2kz5 h ASP 46 CO -0.52 -0.46 0.40 0.44 -3.12 0.00 0.00 179.24 175.98 2kz5 h ASP 47 N -0.91 0.39 0.19 6.45 5.19 -1.89 -1.86 116.42 123.99 2kz5 h ASP 47 Ca -0.08 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 2kz5 h ASP 47 Cb 0.63 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2kz5 h ASP 47 CO 0.14 0.24 -0.09 0.15 -3.12 0.00 0.00 179.24 176.55 2kz5 h PHE 48 N 0.44 -0.24 0.00 4.55 3.57 -0.58 0.12 116.94 124.78 2kz5 h PHE 48 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2kz5 h PHE 48 Cb 0.50 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2kz5 h PHE 48 CO -0.00 -0.04 -0.07 -0.91 -2.23 0.00 0.00 178.31 175.06 2kz5 h ASN 49 N -0.40 0.00 -0.18 0.41 2.35 -0.69 -1.37 115.58 115.69 2kz5 h ASN 49 Ca -0.03 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 2kz5 h ASN 49 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 2kz5 h ASN 49 CO 0.04 0.07 -0.65 -0.33 -1.65 0.00 0.00 177.43 174.92 2kz5 h GLU 50 N 0.00 0.75 -0.49 0.81 5.08 -1.13 -3.17 114.58 116.44 2kz5 h GLU 50 Ca -0.00 -0.57 0.09 0.00 -1.00 0.00 0.00 59.36 57.88 2kz5 h GLU 50 Cb 0.13 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 2kz5 h GLU 50 CO 0.01 1.19 0.05 1.25 -1.00 0.00 0.00 179.01 180.51 2kz5 h LEU 51 N 0.47 -0.10 -1.26 1.33 5.85 0.33 -0.80 115.31 121.13 2kz5 h LEU 51 Ca -0.03 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2kz5 h LEU 51 Cb 1.27 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 2kz5 h LEU 51 CO 0.14 -0.02 0.53 -0.07 -0.34 0.00 0.00 178.44 178.68 2kz5 h LEU 52 N 0.17 0.78 -0.21 2.25 3.38 -1.48 -2.04 115.31 118.16 2kz5 h LEU 52 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kz5 h LEU 52 Cb 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kz5 h LEU 52 CO -0.36 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2kz5 h ALA 53 N 1.56 1.00 -0.01 1.53 0.00 -1.16 -3.21 119.26 118.97 2kz5 h ALA 53 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kz5 h ALA 53 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kz5 h ALA 53 CO -0.13 0.00 -0.19 0.54 0.00 0.00 0.00 179.25 179.47 2kz5 n ARG 54 N -2.83 0.94 -4.59 0.00 1.74 -0.56 -4.85 116.66 106.51 2kz5 n ARG 54 Ca 0.04 -0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 56.38 2kz5 n ARG 54 Cb 0.46 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 2kz5 n ARG 54 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2kz5 s TYR 55 N -2.42 1.23 -0.92 -1.55 1.51 -1.19 -5.06 117.35 108.95 2kz5 s TYR 55 Ca 0.27 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.82 2kz5 s TYR 55 Cb 0.20 -0.83 -0.13 0.00 -0.11 0.00 0.00 41.96 41.08 2kz5 s TYR 55 CO 0.48 -0.08 1.92 -2.30 -1.11 0.00 0.00 175.55 174.46 2kz5 n PRO 56 N 3.03 1.55 -3.99 -1.71 -0.02 -1.26 -4.92 135.00 127.67 2kz5 n PRO 56 Ca -0.16 -2.09 -0.31 0.00 -2.02 0.00 0.00 63.50 58.92 2kz5 n PRO 56 Cb 0.54 -3.22 -0.05 0.00 -0.02 0.00 0.00 33.50 30.75 2kz5 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kz5 s LEU 57 N 4.83 4.05 0.47 2.45 1.43 -1.26 -5.12 118.68 125.53 2kz5 s LEU 57 Ca 0.62 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 2kz5 s LEU 57 Cb 0.09 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 2kz5 s LEU 57 CO 0.13 0.18 0.81 0.42 0.23 0.00 0.00 176.35 178.12 2kz5 s THR 58 N -1.43 4.83 0.39 5.49 -4.23 -1.26 -4.85 115.64 114.57 2kz5 s THR 58 Ca 0.31 0.48 0.17 0.00 -1.18 0.00 0.00 61.69 61.47 2kz5 s THR 58 Cb -0.13 -3.81 0.38 0.00 1.34 0.00 0.00 72.50 70.28 2kz5 s THR 58 CO 0.24 -0.74 1.77 -0.33 -0.54 0.00 0.00 174.62 175.02 2kz5 h GLU 59 N 0.61 0.42 -0.60 3.99 5.08 -1.99 0.52 114.58 122.61 2kz5 h GLU 59 Ca -0.47 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2kz5 h GLU 59 Cb 1.20 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2kz5 h GLU 59 CO 0.63 0.28 0.23 0.77 -1.00 0.00 0.00 179.01 179.92 2kz5 h SER 60 N 0.43 0.83 -0.29 1.42 0.02 -1.99 -1.38 113.55 112.59 2kz5 h SER 60 Ca 0.59 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 2kz5 h SER 60 Cb 1.44 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2kz5 h SER 60 CO -0.32 0.78 0.01 1.56 -1.14 0.00 0.00 176.83 177.73 2kz5 h GLN 61 N 0.83 0.50 -0.65 3.45 4.20 -0.40 -1.88 115.11 121.15 2kz5 h GLN 61 Ca 0.20 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kz5 h GLN 61 Cb 0.21 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2kz5 h GLN 61 CO -0.02 0.64 0.43 -0.07 -0.67 0.00 0.00 178.83 179.14 2kz5 h LEU 62 N 0.29 0.62 -0.32 1.46 4.07 -1.02 -0.51 115.31 119.91 2kz5 h LEU 62 Ca 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2kz5 h LEU 62 Cb 0.40 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 2kz5 h LEU 62 CO 0.01 0.42 0.18 0.00 -1.08 0.00 0.00 178.44 177.97 2kz5 h ALA 63 N 1.63 0.41 -0.20 1.53 0.00 -0.93 -1.72 119.26 119.98 2kz5 h ALA 63 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kz5 h ALA 63 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kz5 h ALA 63 CO -0.08 -0.07 0.11 1.25 0.00 0.00 0.00 179.25 180.46 2kz5 h LEU 64 N 0.40 0.25 -0.80 0.00 5.85 -0.51 0.40 115.31 120.91 2kz5 h LEU 64 Ca 0.11 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2kz5 h LEU 64 Cb 0.04 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2kz5 h LEU 64 CO -0.02 0.26 0.47 0.58 -0.34 0.00 0.00 178.44 179.40 2kz5 h VAL 65 N 0.22 0.99 -0.39 1.05 2.07 -1.06 0.73 116.25 119.86 2kz5 h VAL 65 Ca 0.07 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2kz5 h VAL 65 Cb 0.07 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2kz5 h VAL 65 CO -0.01 0.15 -0.16 0.03 0.02 0.00 0.00 177.57 177.60 2kz5 h ARG 66 N 0.85 0.72 0.00 1.57 3.08 -1.09 -1.56 114.38 117.96 2kz5 h ARG 66 Ca 0.36 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2kz5 h ARG 66 Cb 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kz5 h ARG 66 CO -0.20 0.84 -0.00 0.22 -1.07 0.00 0.00 179.97 179.76 2kz5 h ASP 67 N 0.64 -0.00 -0.70 7.04 3.58 0.22 0.21 116.42 127.41 2kz5 h ASP 67 Ca 0.10 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kz5 h ASP 67 Cb 0.63 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2kz5 h ASP 67 CO 0.04 0.08 0.44 0.40 -2.88 0.00 0.00 179.24 177.33 2kz5 h ILE 68 N -0.09 1.19 -0.65 2.25 2.04 -0.85 -1.16 117.51 120.25 2kz5 h ILE 68 Ca -0.00 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2kz5 h ILE 68 Cb 0.09 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2kz5 h ILE 68 CO 0.00 0.19 0.09 -0.09 0.00 0.00 0.00 178.15 178.35 2kz5 h ARG 69 N 0.95 1.07 0.80 2.37 1.12 -1.17 0.23 114.38 119.74 2kz5 h ARG 69 Ca 0.25 -0.28 -0.04 0.00 -1.11 0.00 0.00 59.98 58.80 2kz5 h ARG 69 Cb -0.07 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.77 2kz5 h ARG 69 CO -0.05 0.98 -0.43 -0.09 -3.11 0.00 0.00 179.97 177.27 2kz5 h ARG 70 N 1.00 -1.09 -0.40 0.20 9.65 -0.00 0.50 114.38 124.24 2kz5 h ARG 70 Ca 0.20 0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 59.06 2kz5 h ARG 70 Cb 0.44 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 2kz5 h ARG 70 CO 0.01 -0.73 -0.14 0.00 2.80 0.00 0.00 179.97 181.92 2kz5 h ARG 71 N -1.13 0.72 -0.08 0.20 3.08 -1.27 -1.39 114.38 114.51 2kz5 h ARG 71 Ca -0.11 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 2kz5 h ARG 71 Cb 0.88 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2kz5 h ARG 71 CO 0.15 0.82 0.04 0.78 -1.07 0.00 0.00 179.97 180.69 2kz5 h GLY 72 N 0.97 0.12 1.59 0.04 0.00 -0.50 0.23 103.07 105.53 2kz5 h GLY 72 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2kz5 h GLY 72 CO 0.04 0.06 -0.33 1.70 0.00 0.00 0.00 176.54 178.01 2kz5 h LYS 73 N -0.00 0.46 -0.46 4.80 1.63 -0.89 -2.43 116.57 119.67 2kz5 h LYS 73 Ca 0.03 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2kz5 h LYS 73 Cb 0.13 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2kz5 h LYS 73 CO -0.00 0.74 0.23 -0.97 -3.45 0.00 0.00 179.45 176.00 2kz5 h ASN 74 N 0.40 0.57 -0.91 4.20 -0.73 -1.04 0.14 115.58 118.21 2kz5 h ASN 74 Ca 0.05 -0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.20 2kz5 h ASN 74 Cb 0.77 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 39.16 2kz5 h ASN 74 CO 0.06 0.48 0.60 0.50 -0.37 0.00 0.00 177.43 178.70 2kz5 h LYS 75 N 0.65 1.13 0.01 6.67 3.64 -0.45 0.24 116.57 128.46 2kz5 h LYS 75 Ca 0.16 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 2kz5 h LYS 75 Cb 0.06 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2kz5 h LYS 75 CO -0.02 0.75 -0.45 0.28 -2.27 0.00 0.00 179.45 177.74 2kz5 h VAL 76 N 1.17 1.49 -0.05 2.00 2.07 -1.23 -3.31 116.25 118.39 2kz5 h VAL 76 Ca 0.35 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 2kz5 h VAL 76 Cb -0.03 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2kz5 h VAL 76 CO -0.10 0.58 0.01 0.00 0.02 0.00 0.00 177.57 178.09 2kz5 h ALA 77 N 0.27 1.93 -0.68 1.67 0.00 -0.55 -2.52 119.26 119.38 2kz5 h ALA 77 Ca -0.06 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.00 2kz5 h ALA 77 Cb 1.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2kz5 h ALA 77 CO 0.09 0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.87 2kz5 h ALA 78 N 1.95 2.41 0.00 0.00 0.00 -1.03 0.23 119.26 122.81 2kz5 h ALA 78 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kz5 h ALA 78 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kz5 h ALA 78 CO -0.00 -0.60 -0.26 1.96 0.00 0.00 0.00 179.25 180.36 2kz5 h GLN 79 N 0.16 0.00 -0.18 0.00 1.08 -1.64 -3.04 115.11 111.49 2kz5 h GLN 79 Ca 0.33 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.48 2kz5 h GLN 79 Cb 1.07 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 2kz5 h GLN 79 CO -0.05 0.26 -0.09 0.27 -0.95 0.00 0.00 178.83 178.26 2kz5 n ASN 80 N -3.22 2.79 -0.33 1.46 0.23 0.02 -4.80 115.26 111.40 2kz5 n ASN 80 Ca 0.02 -3.37 0.02 0.00 -0.53 0.00 0.00 54.58 50.71 2kz5 n ASN 80 Cb 0.57 -0.54 0.19 0.00 -2.08 0.00 0.00 39.78 37.92 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2kz5 h TYR 81 N 0.99 1.13 -1.27 -2.53 3.20 -0.53 -3.40 116.97 114.56 2kz5 h TYR 81 Ca 0.06 0.03 -0.36 0.00 3.14 0.00 0.00 58.73 61.60 2kz5 h TYR 81 Cb 1.33 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2kz5 h TYR 81 CO 0.55 0.63 1.28 -2.13 -1.64 0.00 0.00 178.16 176.86 2kz5 n ARG 82 N -4.46 0.90 -3.77 1.82 0.63 -1.26 -4.91 116.66 105.61 2kz5 n ARG 82 Ca 0.13 -0.20 -0.37 0.00 -0.92 0.00 0.00 57.85 56.49 2kz5 n ARG 82 Cb 0.13 -3.44 -0.13 0.00 0.45 0.00 0.00 32.46 29.48 2kz5 n ARG 82 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2kz5 s LYS 83 N 8.45 2.58 0.21 -0.14 2.20 -1.26 -5.09 119.74 126.68 2kz5 s LYS 83 Ca 0.98 -1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 2kz5 s LYS 83 Cb -0.20 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 2kz5 s LYS 83 CO 0.23 -0.67 1.27 -0.98 -0.36 0.00 0.00 175.35 174.83 2kz5 s ARG 84 N 1.37 4.43 0.89 4.03 1.70 -1.26 -5.04 118.95 125.08 2kz5 s ARG 84 Ca -0.02 2.00 -0.13 0.00 -0.47 0.00 0.00 55.73 57.11 2kz5 s ARG 84 Cb -0.20 -3.20 0.17 0.00 -0.57 0.00 0.00 34.95 31.15 2kz5 s ARG 84 CO 0.02 -0.18 1.24 -1.59 -1.08 0.00 0.00 175.30 173.71 2kz5 s LYS 85 N -0.32 1.04 0.68 3.89 -2.85 -1.26 -5.06 119.74 115.86 2kz5 s LYS 85 Ca 0.54 -0.46 -0.14 0.00 -1.00 0.00 0.00 55.97 54.91 2kz5 s LYS 85 Cb -0.35 -1.95 0.01 0.00 -2.06 0.00 0.00 37.83 33.47 2kz5 s LYS 85 CO 0.39 -2.11 1.11 -0.48 0.10 0.00 0.00 175.35 174.36 2kz5 s LEU 86 N -5.70 3.31 0.25 2.77 2.34 -1.26 -5.01 118.68 115.38 2kz5 s LEU 86 Ca 0.71 1.96 -0.30 0.00 0.06 0.00 0.00 54.13 56.56 2kz5 s LEU 86 Cb -0.05 -4.54 -0.09 0.00 -0.56 0.00 0.00 46.19 40.94 2kz5 s LEU 86 CO 0.51 -1.71 1.11 -0.70 -1.06 0.00 0.00 176.35 174.50 2kz5 s GLU 87 N -4.27 4.61 0.12 1.48 2.56 -1.26 -5.03 118.70 116.90 2kz5 s GLU 87 Ca 0.66 1.81 -0.25 0.00 0.00 0.00 0.00 54.97 57.18 2kz5 s GLU 87 Cb -0.20 -3.21 0.07 0.00 2.00 0.00 0.00 34.13 32.80 2kz5 s GLU 87 CO 0.45 0.15 0.87 -0.08 -0.56 0.00 0.00 175.26 176.08 2kz5 s THR 88 N -0.87 0.00 0.40 -1.70 -1.32 -1.26 -5.19 115.64 105.70 2kz5 s THR 88 Ca 0.46 -0.41 0.05 0.00 -1.21 0.00 0.00 61.69 60.58 2kz5 s THR 88 Cb -0.32 -1.55 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 2kz5 s THR 88 CO 0.40 0.00 0.17 0.27 -2.21 0.00 0.00 174.62 173.25 2kz5 s ILE 89 N -3.36 0.41 0.04 5.08 -4.36 -1.26 -5.17 121.20 112.57 2kz5 s ILE 89 Ca 0.08 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.56 2kz5 s ILE 89 Cb -0.02 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 2kz5 s ILE 89 CO -0.03 0.00 -0.25 0.54 0.24 0.00 0.00 174.94 175.44 2kz5 s VAL 90 N -3.24 2.04 0.00 8.37 0.11 -1.26 -5.31 120.40 121.10 2kz5 s VAL 90 Ca 0.26 -1.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 2kz5 s VAL 90 Cb 0.02 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 2kz5 s VAL 90 CO 0.18 0.37 0.00 0.00 -3.33 0.00 0.00 175.10 172.31