#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 s GLY 2 N 0.00 -1.66 -0.20 3.03 0.00 -1.26 -5.13 107.32 102.10 2kz5 s GLY 2 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 2kz5 s GLY 2 CO 0.00 4.23 1.07 -2.38 0.00 0.00 0.00 173.10 176.02 2kz5 s HIS 3 N 1.50 3.29 -0.03 1.90 0.00 -1.26 -5.02 115.29 115.67 2kz5 s HIS 3 Ca 0.19 1.41 -0.24 0.00 -3.00 0.00 0.00 55.06 53.43 2kz5 s HIS 3 Cb 0.06 -3.30 0.05 0.00 -4.00 0.00 0.00 32.58 25.39 2kz5 s HIS 3 CO -0.12 -0.64 0.52 -3.38 -1.00 0.00 0.00 174.74 170.11 2kz5 s HIS 4 N 3.09 -0.45 -0.22 0.38 -0.00 -1.26 -5.16 115.29 111.67 2kz5 s HIS 4 Ca 0.46 0.75 -0.09 0.00 -0.00 0.00 0.00 55.06 56.18 2kz5 s HIS 4 Cb -0.17 0.27 0.09 0.00 -0.00 0.00 0.00 32.58 32.77 2kz5 s HIS 4 CO 0.09 -0.51 0.49 -1.01 -0.00 0.00 0.00 174.74 173.79 2kz5 s HIS 5 N -1.24 -0.87 -0.30 0.38 3.76 -1.26 -5.12 115.29 110.63 2kz5 s HIS 5 Ca -0.12 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2kz5 s HIS 5 Cb -0.02 0.42 0.14 0.00 1.11 0.00 0.00 32.58 34.23 2kz5 s HIS 5 CO 0.07 -0.48 0.32 -1.01 -0.85 0.00 0.00 174.74 172.79 2kz5 s HIS 6 N 2.23 -0.52 -0.18 1.40 4.02 -1.26 -5.00 115.29 115.98 2kz5 s HIS 6 Ca -0.05 -0.18 0.20 0.00 1.02 0.00 0.00 55.06 56.04 2kz5 s HIS 6 Cb -0.10 -0.41 -0.07 0.00 -1.02 0.00 0.00 32.58 30.97 2kz5 s HIS 6 CO -0.15 -0.94 0.92 0.72 1.02 0.00 0.00 174.74 176.32 2kz5 n HIS 7 N 5.19 0.96 -2.27 1.40 8.25 -1.26 -4.73 115.22 122.75 2kz5 n HIS 7 Ca -0.00 0.30 -0.38 0.00 -0.26 0.00 0.00 57.72 57.38 2kz5 n HIS 7 Cb 0.47 -1.01 -0.03 0.00 1.12 0.00 0.00 29.99 30.53 2kz5 n HIS 7 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kz5 s HIS 8 N -3.16 1.98 0.71 4.41 5.65 -1.26 -4.98 115.29 118.65 2kz5 s HIS 8 Ca -0.02 0.31 -0.11 0.00 0.25 0.00 0.00 55.06 55.49 2kz5 s HIS 8 Cb 0.09 -4.34 0.02 0.00 -1.18 0.00 0.00 32.58 27.18 2kz5 s HIS 8 CO 0.80 -2.12 1.07 -1.54 -0.65 0.00 0.00 174.74 172.30 2kz5 s SER 9 N 6.23 5.09 -0.44 9.88 1.04 -1.26 -5.00 113.70 129.24 2kz5 s SER 9 Ca 0.54 1.73 -0.24 0.00 0.48 0.00 0.00 55.95 58.46 2kz5 s SER 9 Cb -0.09 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.54 2kz5 s SER 9 CO 0.13 -1.64 0.85 -1.00 0.98 0.00 0.00 173.24 172.56 2kz5 s HIS 10 N -2.91 2.98 0.53 5.02 4.02 -1.26 -4.92 115.29 118.75 2kz5 s HIS 10 Ca 0.60 0.31 0.26 0.00 1.02 0.00 0.00 55.06 57.25 2kz5 s HIS 10 Cb -0.16 -3.76 1.41 0.00 -1.02 0.00 0.00 32.58 29.05 2kz5 s HIS 10 CO 0.53 -1.00 1.98 0.00 1.02 0.00 0.00 174.74 177.27 2kz5 h MET 11 N 8.96 0.00 -5.93 1.40 -0.00 -1.94 -3.39 114.93 114.01 2kz5 h MET 11 Ca -0.24 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.79 2kz5 h MET 11 Cb 1.08 0.00 -0.31 0.00 -0.00 0.00 0.00 31.60 32.37 2kz5 h MET 11 CO 0.98 0.00 -0.88 0.00 -0.00 0.00 0.00 176.91 177.02 2kz5 s ALA 12 N -5.00 2.05 -0.45 -3.00 0.00 -1.26 -5.11 121.76 108.99 2kz5 s ALA 12 Ca -0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 2kz5 s ALA 12 Cb 0.20 -0.63 0.11 0.00 0.00 0.00 0.00 23.12 22.79 2kz5 s ALA 12 CO 0.73 0.40 0.30 0.15 0.00 0.00 0.00 175.76 177.34 2kz5 s LYS 13 N -0.16 2.41 0.69 0.00 3.01 -1.26 -5.09 119.74 119.33 2kz5 s LYS 13 Ca -0.03 -1.71 -0.01 0.00 -1.01 0.00 0.00 55.97 53.21 2kz5 s LYS 13 Cb -0.13 -3.82 0.10 0.00 -1.01 0.00 0.00 37.83 32.97 2kz5 s LYS 13 CO 0.03 -1.12 0.96 -1.25 0.51 0.00 0.00 175.35 174.48 2kz5 s PRO 14 N 1.33 1.87 -0.18 -1.68 0.04 -1.26 -5.11 135.00 130.01 2kz5 s PRO 14 Ca 0.05 -0.96 -0.02 0.00 0.04 0.00 0.00 61.00 60.12 2kz5 s PRO 14 Cb -0.25 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2kz5 s PRO 14 CO -0.01 -1.30 -0.10 -0.08 0.04 0.00 0.00 177.00 175.55 2kz5 s THR 15 N -3.09 3.08 -0.69 1.26 -1.32 -1.26 -4.98 115.64 108.65 2kz5 s THR 15 Ca 0.64 -0.61 -0.14 0.00 -1.21 0.00 0.00 61.69 60.36 2kz5 s THR 15 Cb -0.07 -2.35 0.18 0.00 -1.51 0.00 0.00 72.50 68.75 2kz5 s THR 15 CO 0.43 0.48 0.63 0.00 -2.21 0.00 0.00 174.62 173.95 2kz5 s ALA 16 N 1.00 3.86 -1.43 11.08 0.00 -1.26 -4.43 121.76 130.59 2kz5 s ALA 16 Ca -0.01 -2.96 -0.07 0.00 0.00 0.00 0.00 51.96 48.91 2kz5 s ALA 16 Cb -0.15 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.66 2kz5 s ALA 16 CO -0.01 -2.15 2.55 -2.13 0.00 0.00 0.00 175.76 174.02 2kz5 n ARG 17 N 4.53 4.20 -0.09 0.00 0.63 -1.26 -4.38 116.66 120.29 2kz5 n ARG 17 Ca 0.01 -3.02 -0.12 0.00 -0.92 0.00 0.00 57.85 53.80 2kz5 n ARG 17 Cb 0.44 -2.72 -0.05 0.00 0.45 0.00 0.00 32.46 30.57 2kz5 n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kz5 n GLY 18 N 2.47 -0.81 2.77 5.14 0.00 -1.26 -4.76 105.19 108.74 2kz5 n GLY 18 Ca 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 2kz5 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kz5 n GLU 19 N -4.51 -1.55 -3.14 1.61 1.02 -1.26 -4.96 120.64 107.85 2kz5 n GLU 19 Ca -0.19 0.43 -0.27 0.00 -0.02 0.00 0.00 57.16 57.11 2kz5 n GLU 19 Cb 0.47 -4.60 -0.02 0.00 -0.02 0.00 0.00 31.44 27.27 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kz5 s ALA 20 N -1.28 3.58 -0.89 0.62 0.00 -1.26 -5.01 121.76 117.51 2kz5 s ALA 20 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2kz5 s ALA 20 Cb 0.00 -2.33 0.20 0.00 0.00 0.00 0.00 23.12 20.99 2kz5 s ALA 20 CO 0.00 -0.03 2.30 0.41 0.00 0.00 0.00 175.76 178.44 2kz5 n GLY 21 N -1.63 5.23 3.53 0.00 0.00 -1.26 -4.79 105.19 106.28 2kz5 n GLY 21 Ca -0.02 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.33 4.10 0.30 1.61 0.01 -1.26 -5.02 113.70 113.11 2kz5 s SER 22 Ca 0.52 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.31 2kz5 s SER 22 Cb 0.30 -0.66 0.75 0.00 0.21 0.00 0.00 66.02 66.63 2kz5 s SER 22 CO -0.21 0.16 1.75 -0.09 0.41 0.00 0.00 173.24 175.26 2kz5 h ARG 23 N 3.51 0.64 0.07 12.44 9.65 -2.00 -1.60 114.38 137.09 2kz5 h ARG 23 Ca -0.49 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.37 2kz5 h ARG 23 Cb 1.18 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 2kz5 h ARG 23 CO 0.49 0.42 -0.15 -0.44 2.80 0.00 0.00 179.97 183.10 2kz5 h ASP 24 N 0.66 -0.41 -0.68 -3.80 5.19 -1.97 -2.35 116.42 113.05 2kz5 h ASP 24 Ca 0.58 0.05 0.12 0.00 -0.62 0.00 0.00 57.03 57.16 2kz5 h ASP 24 Cb 0.98 0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.56 2kz5 h ASP 24 CO -0.42 -0.22 0.24 -0.33 -3.12 0.00 0.00 179.24 175.39 2kz5 h GLU 25 N -0.28 0.38 -0.58 3.56 4.39 -1.61 -0.43 114.58 120.00 2kz5 h GLU 25 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kz5 h GLU 25 Cb 0.31 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2kz5 h GLU 25 CO -0.09 0.25 0.30 0.00 -1.16 0.00 0.00 179.01 178.31 2kz5 h ARG 26 N 0.39 0.81 -0.41 2.33 2.47 -1.14 -0.17 114.38 118.65 2kz5 h ARG 26 Ca 0.36 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.91 2kz5 h ARG 26 Cb 0.52 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2kz5 h ARG 26 CO -0.38 0.61 -0.06 0.00 0.56 0.00 0.00 179.97 180.70 2kz5 h ARG 27 N 0.81 0.76 0.45 0.04 2.47 -0.65 -1.99 114.38 116.27 2kz5 h ARG 27 Ca 0.21 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2kz5 h ARG 27 Cb 0.05 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kz5 h ARG 27 CO -0.03 0.87 -0.21 0.00 0.56 0.00 0.00 179.97 181.16 2kz5 h ALA 28 N 0.87 -0.60 0.00 0.04 0.00 -0.33 -2.85 119.26 116.39 2kz5 h ALA 28 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kz5 h ALA 28 Cb 0.57 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kz5 h ALA 28 CO 0.03 -0.82 -0.04 1.37 0.00 0.00 0.00 179.25 179.79 2kz5 h LEU 29 N -0.63 0.00 -0.72 0.00 8.10 -1.13 0.65 115.31 121.59 2kz5 h LEU 29 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 2kz5 h LEU 29 Cb 0.48 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.67 2kz5 h LEU 29 CO 0.10 0.04 0.26 0.00 -4.11 0.00 0.00 178.44 174.73 2kz5 h ALA 30 N 1.96 0.93 -0.01 0.17 0.00 -1.13 -3.07 119.26 118.13 2kz5 h ALA 30 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kz5 h ALA 30 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kz5 h ALA 30 CO 0.01 0.58 -0.81 -1.33 0.00 0.00 0.00 179.25 177.70 2kz5 n MET 31 N -4.32 0.51 -2.30 0.00 2.81 -0.95 -5.06 117.12 107.80 2kz5 n MET 31 Ca 0.06 -0.34 -0.02 0.00 -1.81 0.00 0.00 57.70 55.59 2kz5 n MET 31 Cb 0.20 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.99 -2.73 -4.21 0.03 5.02 0.22 -4.98 118.16 110.53 2kz5 n LYS 32 Ca 0.06 2.27 -0.34 0.00 -2.02 0.00 0.00 58.31 58.28 2kz5 n LYS 32 Cb 0.37 -3.94 -0.14 0.00 -0.02 0.00 0.00 35.03 31.30 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 -0.86 3.47 -0.09 -0.18 -1.09 -1.15 -4.90 121.20 116.40 2kz5 s ILE 33 Ca -0.08 -0.48 0.30 0.00 -2.23 0.00 0.00 60.65 58.16 2kz5 s ILE 33 Cb 0.01 -2.54 0.35 0.00 -1.58 0.00 0.00 42.46 38.69 2kz5 s ILE 33 CO 0.55 0.46 1.90 -0.65 -1.23 0.00 0.00 174.94 175.96 2kz5 h PRO 34 N 7.47 0.00 -6.72 2.79 0.11 -1.94 -3.36 132.00 130.34 2kz5 h PRO 34 Ca -0.35 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.08 2kz5 h PRO 34 Cb 1.18 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 2kz5 h PRO 34 CO 0.60 0.00 -0.81 -0.59 -0.21 0.00 0.00 178.00 176.99 2kz5 s PHE 35 N -3.55 2.51 0.40 0.65 -0.12 -1.26 -4.54 117.98 112.07 2kz5 s PHE 35 Ca 0.02 -0.28 -0.27 0.00 -0.05 0.00 0.00 56.93 56.36 2kz5 s PHE 35 Cb 0.09 -1.35 -0.09 0.00 -0.63 0.00 0.00 43.02 41.04 2kz5 s PHE 35 CO 0.50 0.36 1.38 -1.25 -0.05 0.00 0.00 175.22 176.16 2kz5 s PRO 36 N -2.04 3.98 0.21 1.99 0.04 -1.26 -4.93 135.00 132.99 2kz5 s PRO 36 Ca 0.17 2.33 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 2kz5 s PRO 36 Cb -0.10 -2.82 0.16 0.00 0.04 0.00 0.00 34.50 31.77 2kz5 s PRO 36 CO 0.09 -0.55 1.85 1.79 0.04 0.00 0.00 177.00 180.22 2kz5 h THR 37 N 2.62 1.22 -0.35 1.26 1.35 -1.96 -2.88 112.91 114.17 2kz5 h THR 37 Ca -0.50 -0.51 0.06 0.00 -0.55 0.00 0.00 66.41 64.91 2kz5 h THR 37 Cb 1.25 0.15 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 2kz5 h THR 37 CO 0.63 0.24 0.01 -2.24 -0.25 0.00 0.00 175.52 173.91 2kz5 h ASP 38 N 1.07 -0.12 -0.92 5.36 3.04 -1.98 -2.26 116.42 120.60 2kz5 h ASP 38 Ca 0.28 0.08 0.03 0.00 -3.24 0.00 0.00 57.03 54.17 2kz5 h ASP 38 Cb -0.02 0.13 -0.05 0.00 -1.04 0.00 0.00 39.33 38.35 2kz5 h ASP 38 CO -0.05 -0.02 0.60 0.50 -2.04 0.00 0.00 179.24 178.23 2kz5 h LYS 39 N 0.11 1.15 -1.00 4.15 3.64 -1.91 -1.65 116.57 121.07 2kz5 h LYS 39 Ca 0.17 -0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 2kz5 h LYS 39 Cb 0.23 -0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 2kz5 h LYS 39 CO -0.28 0.76 0.62 0.82 -2.27 0.00 0.00 179.45 179.11 2kz5 h ILE 40 N 1.19 0.79 -0.04 2.00 2.04 -1.26 0.22 117.51 122.45 2kz5 h ILE 40 Ca 0.36 -0.29 -0.21 0.00 1.00 0.00 0.00 64.86 65.72 2kz5 h ILE 40 Cb -0.04 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 35.92 2kz5 h ILE 40 CO -0.11 0.15 -0.85 0.58 0.00 0.00 0.00 178.15 177.93 2kz5 h VAL 41 N 0.85 1.38 0.00 1.67 2.07 -1.07 -3.32 116.25 117.82 2kz5 h VAL 41 Ca 0.54 -2.29 -0.22 0.00 0.82 0.00 0.00 66.70 65.55 2kz5 h VAL 41 Cb 0.74 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2kz5 h VAL 41 CO -0.32 0.69 -1.13 0.78 0.02 0.00 0.00 177.57 177.61 2kz5 h ASN 42 N 0.28 0.00 -3.83 0.57 2.35 -0.74 -3.45 115.58 110.75 2kz5 h ASN 42 Ca -0.06 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.17 2kz5 h ASN 42 Cb 1.46 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.89 2kz5 h ASN 42 CO 0.15 0.96 0.62 -0.76 -1.65 0.00 0.00 177.43 176.75 2kz5 s LEU 43 N -6.54 4.44 0.89 1.61 1.43 -0.01 -5.04 118.68 115.47 2kz5 s LEU 43 Ca -0.00 2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 2kz5 s LEU 43 Cb 0.09 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.80 2kz5 s LEU 43 CO 0.82 -0.49 1.19 -2.16 0.23 0.00 0.00 176.35 175.94 2kz5 s PRO 44 N -1.63 1.27 0.31 1.29 0.04 -1.26 -4.75 135.00 130.27 2kz5 s PRO 44 Ca 0.49 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.64 2kz5 s PRO 44 Cb -0.39 -1.88 0.74 0.00 0.04 0.00 0.00 34.50 33.02 2kz5 s PRO 44 CO 0.51 -2.06 1.79 -0.24 0.04 0.00 0.00 177.00 177.04 2kz5 h VAL 45 N -1.39 0.74 0.65 -0.36 3.04 -1.98 0.77 116.25 117.72 2kz5 h VAL 45 Ca -0.47 -0.26 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 2kz5 h VAL 45 Cb 1.31 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2kz5 h VAL 45 CO 0.57 0.14 -0.35 0.44 -1.01 0.00 0.00 177.57 177.37 2kz5 h ASP 46 N 0.77 -0.85 0.56 3.17 5.19 -2.00 -0.49 116.42 122.77 2kz5 h ASP 46 Ca 0.56 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.96 2kz5 h ASP 46 Cb 0.86 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2kz5 h ASP 46 CO -0.34 -0.56 -0.21 0.44 -3.12 0.00 0.00 179.24 175.45 2kz5 h ASP 47 N -0.91 0.00 0.06 6.45 3.32 -1.89 -2.27 116.42 121.17 2kz5 h ASP 47 Ca -0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kz5 h ASP 47 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2kz5 h ASP 47 CO 0.12 0.21 -0.03 0.15 -1.72 0.00 0.00 179.24 177.97 2kz5 h PHE 48 N 0.00 -0.07 -0.51 4.55 3.57 -0.67 0.23 116.94 124.04 2kz5 h PHE 48 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kz5 h PHE 48 Cb 0.54 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2kz5 h PHE 48 CO 0.00 0.13 0.32 -0.91 -2.23 0.00 0.00 178.31 175.62 2kz5 h ASN 49 N -0.26 0.53 -0.48 0.41 2.35 -0.87 -1.26 115.58 116.01 2kz5 h ASN 49 Ca -0.01 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2kz5 h ASN 49 Cb 0.23 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2kz5 h ASN 49 CO 0.01 0.38 0.25 -0.33 -1.65 0.00 0.00 177.43 176.10 2kz5 h GLU 50 N 0.64 0.48 -0.45 0.81 4.39 -1.33 -0.47 114.58 118.65 2kz5 h GLU 50 Ca 0.19 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.89 2kz5 h GLU 50 Cb -0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2kz5 h GLU 50 CO -0.07 0.32 0.25 1.25 -1.16 0.00 0.00 179.01 179.60 2kz5 h LEU 51 N 0.49 0.39 -1.34 1.33 5.85 -0.08 0.94 115.31 122.88 2kz5 h LEU 51 Ca 0.21 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2kz5 h LEU 51 Cb 0.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2kz5 h LEU 51 CO -0.14 0.28 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.89 2kz5 h LEU 52 N 0.51 0.06 -0.53 2.25 3.38 -1.02 -2.77 115.31 117.20 2kz5 h LEU 52 Ca 0.19 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2kz5 h LEU 52 Cb 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kz5 h LEU 52 CO -0.11 0.35 -0.64 0.00 0.09 0.00 0.00 178.44 178.14 2kz5 h ALA 53 N 1.65 0.79 -0.06 1.53 0.00 0.01 -3.33 119.26 119.85 2kz5 h ALA 53 Ca 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2kz5 h ALA 53 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kz5 h ALA 53 CO 0.04 0.80 0.03 0.00 0.00 0.00 0.00 179.25 180.12 2kz5 h ARG 54 N 0.00 0.09 -5.88 0.00 3.08 -0.56 -3.45 114.38 107.67 2kz5 h ARG 54 Ca -0.01 -0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.37 2kz5 h ARG 54 Cb 1.25 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 2kz5 h ARG 54 CO 0.08 0.19 -0.54 0.71 -1.07 0.00 0.00 179.97 179.34 2kz5 s TYR 55 N -5.69 3.40 -1.07 3.04 2.02 -1.23 -5.01 117.35 112.80 2kz5 s TYR 55 Ca -0.14 0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.78 2kz5 s TYR 55 Cb 0.06 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.74 2kz5 s TYR 55 CO 0.68 0.60 2.26 -2.30 -1.57 0.00 0.00 175.55 175.22 2kz5 n PRO 56 N 1.38 2.38 -2.81 -1.71 -0.02 -1.26 -4.93 135.00 128.02 2kz5 n PRO 56 Ca -0.14 -1.73 -0.40 0.00 -2.02 0.00 0.00 63.50 59.20 2kz5 n PRO 56 Cb 0.53 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.39 4.56 0.62 2.45 1.43 -1.26 -4.86 118.68 122.01 2kz5 s LEU 57 Ca 0.48 1.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.19 2kz5 s LEU 57 Cb 0.13 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 2kz5 s LEU 57 CO -0.02 0.07 1.13 0.42 0.23 0.00 0.00 176.35 178.18 2kz5 s THR 58 N -0.60 3.09 0.32 5.49 -4.23 -1.26 -4.80 115.64 113.65 2kz5 s THR 58 Ca 0.42 0.58 0.10 0.00 -1.18 0.00 0.00 61.69 61.61 2kz5 s THR 58 Cb -0.24 -3.14 0.32 0.00 1.34 0.00 0.00 72.50 70.78 2kz5 s THR 58 CO 0.29 -0.24 1.74 -0.33 -0.54 0.00 0.00 174.62 175.54 2kz5 h GLU 59 N 0.47 0.58 -0.18 3.99 5.08 -2.01 0.41 114.58 122.93 2kz5 h GLU 59 Ca -0.48 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 2kz5 h GLU 59 Cb 1.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kz5 h GLU 59 CO 0.55 0.38 -0.15 1.03 -1.00 0.00 0.00 179.01 179.82 2kz5 h SER 60 N 0.60 0.28 -0.31 1.42 0.87 -2.00 -2.62 113.55 111.78 2kz5 h SER 60 Ca 0.63 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 61.02 2kz5 h SER 60 Cb 1.19 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2kz5 h SER 60 CO -0.44 0.45 -0.22 1.56 -0.53 0.00 0.00 176.83 177.65 2kz5 h GLN 61 N 0.27 0.70 -0.95 2.24 4.20 -0.52 -2.10 115.11 118.95 2kz5 h GLN 61 Ca 0.05 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.46 2kz5 h GLN 61 Cb 0.43 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 2kz5 h GLN 61 CO 0.03 0.94 0.62 -0.07 -0.67 0.00 0.00 178.83 179.68 2kz5 h LEU 62 N 0.46 1.04 -0.60 1.46 4.07 -1.29 0.12 115.31 120.56 2kz5 h LEU 62 Ca 0.06 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.05 2kz5 h LEU 62 Cb 0.77 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.23 2kz5 h LEU 62 CO 0.06 0.72 0.33 0.00 -1.08 0.00 0.00 178.44 178.47 2kz5 h ALA 63 N 1.38 0.79 -0.30 1.53 0.00 -1.34 -1.41 119.26 119.91 2kz5 h ALA 63 Ca 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2kz5 h ALA 63 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kz5 h ALA 63 CO -0.11 0.02 0.14 1.25 0.00 0.00 0.00 179.25 180.55 2kz5 h LEU 64 N 0.64 0.39 -0.87 0.00 5.85 -0.59 -1.24 115.31 119.48 2kz5 h LEU 64 Ca 0.26 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2kz5 h LEU 64 Cb 0.13 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2kz5 h LEU 64 CO -0.15 0.40 0.54 0.58 -0.34 0.00 0.00 178.44 179.47 2kz5 h VAL 65 N 0.35 1.04 -0.70 1.05 2.07 -0.70 0.18 116.25 119.53 2kz5 h VAL 65 Ca 0.10 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2kz5 h VAL 65 Cb 0.12 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2kz5 h VAL 65 CO -0.01 0.18 0.20 0.03 0.02 0.00 0.00 177.57 177.98 2kz5 h ARG 66 N 0.99 1.10 -0.46 1.57 3.08 -1.07 -1.22 114.38 118.37 2kz5 h ARG 66 Ca 0.38 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2kz5 h ARG 66 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2kz5 h ARG 66 CO -0.18 0.96 0.23 0.22 -1.07 0.00 0.00 179.97 180.13 2kz5 h ASP 67 N 1.04 0.59 -0.51 7.04 3.58 0.02 -0.76 116.42 127.41 2kz5 h ASP 67 Ca 0.22 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kz5 h ASP 67 Cb 0.33 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2kz5 h ASP 67 CO -0.00 0.54 0.34 0.40 -2.88 0.00 0.00 179.24 177.64 2kz5 h ILE 68 N 0.60 1.13 -0.97 2.25 2.04 -0.52 0.19 117.51 122.23 2kz5 h ILE 68 Ca 0.16 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2kz5 h ILE 68 Cb 0.10 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 2kz5 h ILE 68 CO -0.02 0.13 0.63 -0.09 0.00 0.00 0.00 178.15 178.80 2kz5 h ARG 69 N 0.69 1.21 -0.16 2.37 2.43 -1.01 -0.93 114.38 118.99 2kz5 h ARG 69 Ca 0.19 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2kz5 h ARG 69 Cb -0.08 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.19 2kz5 h ARG 69 CO -0.04 0.80 0.07 -0.09 -1.51 0.00 0.00 179.97 179.20 2kz5 h ARG 70 N 1.25 0.24 -0.97 0.20 9.65 -0.52 -0.60 114.38 123.62 2kz5 h ARG 70 Ca 0.38 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.25 2kz5 h ARG 70 Cb -0.04 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 2kz5 h ARG 70 CO -0.11 0.30 0.64 0.00 2.80 0.00 0.00 179.97 183.60 2kz5 h ARG 71 N 0.12 1.21 -0.01 0.20 3.08 -0.05 0.31 114.38 119.23 2kz5 h ARG 71 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kz5 h ARG 71 Cb 0.15 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2kz5 h ARG 71 CO -0.01 0.80 -0.08 0.78 -1.07 0.00 0.00 179.97 180.40 2kz5 h GLY 72 N 1.25 0.08 2.00 0.04 0.00 -1.17 -3.25 103.07 102.02 2kz5 h GLY 72 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2kz5 h GLY 72 CO -0.11 0.11 -0.04 1.70 0.00 0.00 0.00 176.54 178.20 2kz5 h LYS 73 N -0.57 0.00 -0.71 4.80 3.64 -0.88 -1.48 116.57 121.37 2kz5 h LYS 73 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2kz5 h LYS 73 Cb 0.76 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2kz5 h LYS 73 CO 0.02 0.04 0.26 -0.97 -2.27 0.00 0.00 179.45 176.53 2kz5 h ASN 74 N 0.00 0.98 -0.51 4.20 -1.24 -0.43 -0.89 115.58 117.70 2kz5 h ASN 74 Ca -0.00 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 2kz5 h ASN 74 Cb 0.10 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2kz5 h ASN 74 CO 0.01 0.89 0.11 0.50 -1.29 0.00 0.00 177.43 177.65 2kz5 h LYS 75 N 1.04 0.83 -0.56 6.67 3.64 -1.31 0.20 116.57 127.07 2kz5 h LYS 75 Ca 0.24 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2kz5 h LYS 75 Cb 0.23 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2kz5 h LYS 75 CO -0.02 0.80 0.37 0.28 -2.27 0.00 0.00 179.45 178.62 2kz5 h VAL 76 N 0.71 1.04 -0.04 2.00 2.07 -1.23 -1.22 116.25 119.59 2kz5 h VAL 76 Ca 0.16 -0.21 -0.23 0.00 0.82 0.00 0.00 66.70 67.24 2kz5 h VAL 76 Cb 0.36 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2kz5 h VAL 76 CO 0.01 0.11 -0.90 0.00 0.02 0.00 0.00 177.57 176.81 2kz5 h ALA 77 N 1.68 0.35 -0.76 1.67 0.00 -0.74 -3.31 119.26 118.15 2kz5 h ALA 77 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kz5 h ALA 77 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2kz5 h ALA 77 CO -0.06 0.75 0.49 0.00 0.00 0.00 0.00 179.25 180.43 2kz5 h ALA 78 N 0.67 1.43 0.00 0.00 0.00 0.52 -0.33 119.26 121.55 2kz5 h ALA 78 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kz5 h ALA 78 Cb 1.53 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kz5 h ALA 78 CO 0.17 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2kz5 n GLN 79 N -4.41 0.78 -0.11 0.00 10.64 -0.67 -1.92 117.38 121.70 2kz5 n GLN 79 Ca 0.08 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.30 2kz5 n GLN 79 Cb 0.04 -1.42 0.07 0.00 -0.86 0.00 0.00 30.24 28.07 2kz5 n GLN 79 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2kz5 n ASN 80 N -0.92 1.77 -4.88 2.61 3.02 -0.19 -5.08 115.26 111.57 2kz5 n ASN 80 Ca 0.16 -2.51 -0.32 0.00 -0.03 0.00 0.00 54.58 51.88 2kz5 n ASN 80 Cb 0.07 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kz5 s TYR 81 N -1.79 3.49 -0.08 3.10 5.04 -0.81 -5.06 117.35 121.26 2kz5 s TYR 81 Ca 0.17 0.68 -0.30 0.00 -2.44 0.00 0.00 57.07 55.18 2kz5 s TYR 81 Cb 0.15 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.33 2kz5 s TYR 81 CO 0.02 0.42 1.25 1.03 -1.34 0.00 0.00 175.55 176.93 2kz5 s ARG 82 N -2.49 4.31 0.00 4.97 0.52 -1.26 -5.03 118.95 119.98 2kz5 s ARG 82 Ca 0.40 1.72 -0.15 0.00 -0.52 0.00 0.00 55.73 57.18 2kz5 s ARG 82 Cb -0.12 -3.62 -0.06 0.00 0.52 0.00 0.00 34.95 31.66 2kz5 s ARG 82 CO 0.22 -0.54 0.43 0.21 0.02 0.00 0.00 175.30 175.64 2kz5 s LYS 83 N 2.62 3.97 0.22 3.54 2.20 -1.26 -5.07 119.74 125.97 2kz5 s LYS 83 Ca 0.57 0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 56.43 2kz5 s LYS 83 Cb -0.25 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 2kz5 s LYS 83 CO 0.21 0.66 0.74 0.50 -0.36 0.00 0.00 175.35 177.10 2kz5 s ARG 84 N -1.01 4.28 -0.08 4.03 3.52 -1.26 -5.06 118.95 123.37 2kz5 s ARG 84 Ca 0.24 0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 56.49 2kz5 s ARG 84 Cb -0.17 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2kz5 s ARG 84 CO 0.14 0.40 0.83 0.21 -0.81 0.00 0.00 175.30 176.06 2kz5 s LYS 85 N -1.93 4.43 -0.98 5.12 2.47 -1.26 -4.98 119.74 122.60 2kz5 s LYS 85 Ca 0.43 1.09 -0.25 0.00 -1.56 0.00 0.00 55.97 55.68 2kz5 s LYS 85 Cb -0.17 -3.49 -0.10 0.00 -1.46 0.00 0.00 37.83 32.61 2kz5 s LYS 85 CO 0.21 -0.09 2.06 -0.51 0.16 0.00 0.00 175.35 177.18 2kz5 s LEU 86 N 1.29 2.95 -0.71 5.43 2.01 -1.26 -4.90 118.68 123.49 2kz5 s LEU 86 Ca 0.42 -0.85 -0.25 0.00 0.01 0.00 0.00 54.13 53.46 2kz5 s LEU 86 Cb -0.18 -2.57 0.05 0.00 0.01 0.00 0.00 46.19 43.49 2kz5 s LEU 86 CO 0.19 -3.38 1.16 -1.83 1.01 0.00 0.00 176.35 173.51 2kz5 s GLU 87 N 7.46 3.16 -0.80 1.70 -1.05 -1.26 -4.99 118.70 122.93 2kz5 s GLU 87 Ca 0.76 -0.47 -0.23 0.00 -0.15 0.00 0.00 54.97 54.88 2kz5 s GLU 87 Cb -0.06 -4.20 0.07 0.00 -0.44 0.00 0.00 34.13 29.50 2kz5 s GLU 87 CO 0.08 -2.03 1.15 0.95 0.95 0.00 0.00 175.26 176.36 2kz5 s THR 88 N 5.11 4.21 -0.73 1.83 -4.23 -1.26 -4.98 115.64 115.59 2kz5 s THR 88 Ca 0.30 -0.52 -0.26 0.00 -1.18 0.00 0.00 61.69 60.03 2kz5 s THR 88 Cb -0.11 -4.82 0.00 0.00 1.34 0.00 0.00 72.50 68.91 2kz5 s THR 88 CO 0.13 -1.64 1.61 -0.63 -0.54 0.00 0.00 174.62 173.55 2kz5 s ILE 89 N 4.30 3.55 -0.07 2.99 1.01 -1.26 -4.98 121.20 126.74 2kz5 s ILE 89 Ca 0.31 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.90 2kz5 s ILE 89 Cb -0.09 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2kz5 s ILE 89 CO 0.03 -1.37 0.60 -0.69 0.00 0.00 0.00 174.94 173.51 2kz5 s VAL 90 N 7.52 5.07 0.00 2.92 1.01 -1.26 -5.36 120.40 130.31 2kz5 s VAL 90 Ca 0.53 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2kz5 s VAL 90 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kz5 s VAL 90 CO 0.14 0.31 0.19 1.67 0.00 0.00 0.00 175.10 177.41