#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 1.15 3.02 3.03 0.00 -1.26 -5.08 105.19 106.05 2kz5 n GLY 2 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2kz5 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kz5 s HIS 3 N 0.00 3.67 -0.11 1.61 0.00 -1.26 -5.08 115.29 114.11 2kz5 s HIS 3 Ca 0.00 -2.89 -0.01 0.00 -3.00 0.00 0.00 55.06 49.17 2kz5 s HIS 3 Cb 0.00 -2.76 -0.02 0.00 -4.00 0.00 0.00 32.58 25.80 2kz5 s HIS 3 CO 0.00 -0.94 -0.08 -3.38 -1.00 0.00 0.00 174.74 169.34 2kz5 s HIS 4 N 0.94 2.91 0.29 0.38 0.00 -1.26 -5.13 115.29 113.42 2kz5 s HIS 4 Ca 0.08 -0.30 0.11 0.00 -3.00 0.00 0.00 55.06 51.95 2kz5 s HIS 4 Cb -0.19 -1.82 -0.05 0.00 -4.00 0.00 0.00 32.58 26.51 2kz5 s HIS 4 CO -0.08 0.04 -0.13 -3.38 -1.00 0.00 0.00 174.74 170.19 2kz5 s HIS 5 N -0.07 2.40 0.00 0.38 0.00 -1.26 -5.09 115.29 111.65 2kz5 s HIS 5 Ca -0.00 -0.35 0.00 0.00 -3.00 0.00 0.00 55.06 51.71 2kz5 s HIS 5 Cb -0.13 -1.14 0.00 0.00 -4.00 0.00 0.00 32.58 27.30 2kz5 s HIS 5 CO 0.03 0.66 0.00 0.72 -1.00 0.00 0.00 174.74 175.15 2kz5 n HIS 6 N -0.73 0.00 -3.92 0.38 -0.00 -1.26 -5.00 115.22 104.69 2kz5 n HIS 6 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.33 2kz5 n HIS 6 Cb 0.61 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.46 2kz5 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kz5 s HIS 7 N 0.00 3.55 -0.70 4.41 4.02 -1.26 -5.07 115.29 120.24 2kz5 s HIS 7 Ca 0.00 -2.49 -0.16 0.00 1.02 0.00 0.00 55.06 53.43 2kz5 s HIS 7 Cb 0.00 -2.76 0.16 0.00 -1.02 0.00 0.00 32.58 28.96 2kz5 s HIS 7 CO 0.00 -0.92 0.70 -1.58 1.02 0.00 0.00 174.74 173.96 2kz5 s HIS 8 N 1.08 3.41 -0.10 1.40 5.65 -1.26 -4.99 115.29 120.48 2kz5 s HIS 8 Ca 0.05 -1.54 -0.32 0.00 0.25 0.00 0.00 55.06 53.49 2kz5 s HIS 8 Cb -0.21 -3.89 0.12 0.00 -1.18 0.00 0.00 32.58 27.43 2kz5 s HIS 8 CO -0.05 -1.09 1.06 0.45 -0.65 0.00 0.00 174.74 174.45 2kz5 s SER 9 N 3.00 -0.25 0.00 9.88 0.15 -1.26 -5.05 113.70 120.18 2kz5 s SER 9 Ca 0.13 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2kz5 s SER 9 Cb -0.19 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2kz5 s SER 9 CO -0.03 -0.42 0.69 0.00 1.20 0.00 0.00 173.24 174.68 2kz5 n HIS 10 N -0.15 0.00 -2.74 3.44 -0.00 -1.26 -5.07 115.22 109.44 2kz5 n HIS 10 Ca -0.04 -0.06 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 2kz5 n HIS 10 Cb 0.60 0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.74 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 0.00 3.31 -0.07 -1.40 -2.45 -1.26 -4.98 119.30 112.45 2kz5 s MET 11 Ca 0.01 -0.90 -0.03 0.00 -1.25 0.00 0.00 55.69 53.52 2kz5 s MET 11 Cb 0.01 -4.54 0.04 0.00 1.25 0.00 0.00 34.83 31.59 2kz5 s MET 11 CO -0.01 -1.97 0.15 0.00 1.05 0.00 0.00 175.02 174.25 2kz5 s ALA 12 N 4.41 -0.28 -0.22 4.11 0.00 -1.26 -5.14 121.76 123.37 2kz5 s ALA 12 Ca 0.32 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2kz5 s ALA 12 Cb -0.09 -0.44 0.10 0.00 0.00 0.00 0.00 23.12 22.68 2kz5 s ALA 12 CO 0.04 -0.15 0.49 -1.59 0.00 0.00 0.00 175.76 174.55 2kz5 s LYS 13 N 1.06 0.41 -1.17 0.00 -2.85 -1.26 -5.09 119.74 110.84 2kz5 s LYS 13 Ca -0.08 1.12 -0.21 0.00 -1.00 0.00 0.00 55.97 55.80 2kz5 s LYS 13 Cb -0.10 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.09 2kz5 s LYS 13 CO -0.05 -0.22 1.75 -1.25 0.10 0.00 0.00 175.35 175.67 2kz5 s PRO 14 N 2.48 3.40 -1.20 1.78 0.04 -1.26 -4.91 135.00 135.33 2kz5 s PRO 14 Ca -0.04 -1.44 -0.20 0.00 0.04 0.00 0.00 61.00 59.36 2kz5 s PRO 14 Cb -0.11 -5.38 -0.02 0.00 0.04 0.00 0.00 34.50 29.02 2kz5 s PRO 14 CO -0.15 -2.79 1.91 0.25 0.04 0.00 0.00 177.00 176.27 2kz5 n THR 15 N 6.99 2.87 -4.11 1.26 -2.24 -1.26 -4.89 114.28 112.91 2kz5 n THR 15 Ca 0.44 -2.85 -0.15 0.00 -2.27 0.00 0.00 64.05 59.22 2kz5 n THR 15 Cb 0.47 -2.33 -0.12 0.00 -2.10 0.00 0.00 70.33 66.26 2kz5 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kz5 s ALA 16 N 6.45 0.82 -0.12 6.98 0.00 -1.26 -5.07 121.76 129.56 2kz5 s ALA 16 Ca 0.58 -0.87 0.17 0.00 0.00 0.00 0.00 51.96 51.84 2kz5 s ALA 16 Cb 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 23.12 22.92 2kz5 s ALA 16 CO 0.08 0.05 0.19 0.54 0.00 0.00 0.00 175.76 176.63 2kz5 n ARG 17 N 1.37 0.93 0.00 0.00 1.74 -1.26 -5.00 116.66 114.44 2kz5 n ARG 17 Ca -0.22 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 2kz5 n ARG 17 Cb 0.54 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2kz5 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kz5 n GLY 18 N 1.74 1.58 3.67 -0.13 0.00 -1.26 -4.96 105.19 105.83 2kz5 n GLY 18 Ca -0.19 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2kz5 n GLY 18 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kz5 n GLU 19 N 0.00 1.75 -0.76 1.61 0.28 -1.26 -1.77 120.64 120.49 2kz5 n GLU 19 Ca 0.00 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 2kz5 n GLU 19 Cb 0.00 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.60 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kz5 n ALA 20 N -0.27 0.00 -2.06 -1.84 0.00 -1.26 -4.97 120.51 110.10 2kz5 n ALA 20 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 2kz5 n ALA 20 Cb 0.39 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 19.16 2kz5 n ALA 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kz5 s GLY 21 N -2.00 1.68 0.86 0.00 0.00 -0.73 -5.11 107.32 102.02 2kz5 s GLY 21 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 44.72 43.57 2kz5 s GLY 21 CO 0.00 -0.72 1.12 -1.14 0.00 0.00 0.00 173.10 172.36 2kz5 n SER 22 N -2.49 -0.10 -0.10 1.64 3.41 -1.26 -4.92 113.62 109.79 2kz5 n SER 22 Ca 0.06 -1.38 -0.06 0.00 -0.26 0.00 0.00 58.87 57.23 2kz5 n SER 22 Cb 0.59 -0.87 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 2kz5 n SER 22 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2kz5 h ARG 23 N 0.00 0.22 0.00 4.33 2.43 -1.99 -2.88 114.38 116.49 2kz5 h ARG 23 Ca -0.37 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 2kz5 h ARG 23 Cb 1.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2kz5 h ARG 23 CO 0.26 0.15 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.24 2kz5 h ASP 24 N 0.23 0.00 -0.74 -3.80 3.32 -1.99 -2.84 116.42 110.60 2kz5 h ASP 24 Ca 0.16 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.29 2kz5 h ASP 24 Cb 0.15 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 2kz5 h ASP 24 CO -0.18 0.19 0.40 -0.33 -1.72 0.00 0.00 179.24 177.59 2kz5 h GLU 25 N 0.00 0.66 -0.28 3.56 4.39 -1.86 0.65 114.58 121.69 2kz5 h GLU 25 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kz5 h GLU 25 Cb 0.69 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2kz5 h GLU 25 CO 0.02 0.44 0.18 0.00 -1.16 0.00 0.00 179.01 178.49 2kz5 h ARG 26 N 0.68 0.38 -0.91 2.33 -0.00 -1.59 -2.61 114.38 112.67 2kz5 h ARG 26 Ca 0.36 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.83 2kz5 h ARG 26 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 29.97 30.17 2kz5 h ARG 26 CO -0.25 0.28 0.60 0.00 0.00 0.00 0.00 179.97 180.60 2kz5 h ARG 27 N 0.37 1.14 0.23 0.04 2.47 -1.39 0.85 114.38 118.09 2kz5 h ARG 27 Ca 0.10 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2kz5 h ARG 27 Cb -0.01 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.05 2kz5 h ARG 27 CO -0.02 0.76 -0.11 0.00 0.56 0.00 0.00 179.97 181.16 2kz5 h ALA 28 N 1.46 -0.30 0.00 0.04 0.00 -0.70 -1.70 119.26 118.05 2kz5 h ALA 28 Ca 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2kz5 h ALA 28 Cb -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kz5 h ALA 28 CO -0.09 -0.61 -0.10 1.37 0.00 0.00 0.00 179.25 179.81 2kz5 h LEU 29 N -0.42 0.00 -0.04 0.00 8.10 -1.28 0.11 115.31 121.78 2kz5 h LEU 29 Ca -0.03 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 2kz5 h LEU 29 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kz5 h LEU 29 CO 0.05 0.10 -0.15 0.00 -4.11 0.00 0.00 178.44 174.33 2kz5 h ALA 30 N 1.90 0.07 -0.09 0.17 0.00 -0.70 -3.24 119.26 117.36 2kz5 h ALA 30 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kz5 h ALA 30 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kz5 h ALA 30 CO 0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2kz5 n MET 31 N -4.61 1.71 -3.20 0.00 2.81 -0.65 -4.98 117.12 108.20 2kz5 n MET 31 Ca -0.09 -1.05 -0.12 0.00 -1.81 0.00 0.00 57.70 54.63 2kz5 n MET 31 Cb 0.41 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.27 -1.75 -3.22 0.03 5.02 -0.11 -4.97 118.16 113.43 2kz5 n LYS 32 Ca 0.18 1.53 -0.40 0.00 -2.02 0.00 0.00 58.31 57.59 2kz5 n LYS 32 Cb 0.35 -4.59 -0.07 0.00 -0.02 0.00 0.00 35.03 30.70 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 -2.68 5.04 -1.37 -0.18 -1.09 0.19 -4.96 121.20 116.15 2kz5 s ILE 33 Ca 0.12 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 2kz5 s ILE 33 Cb -0.03 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2kz5 s ILE 33 CO 0.80 0.02 0.41 -0.81 -1.23 0.00 0.00 174.94 174.13 2kz5 n PRO 34 N 5.61 0.60 -3.77 2.79 -0.04 -1.26 -4.68 135.00 134.25 2kz5 n PRO 34 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 2kz5 n PRO 34 Cb 0.49 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.37 -0.20 0.51 0.54 -0.12 -1.26 -5.14 117.98 110.95 2kz5 s PHE 35 Ca 0.00 0.37 -0.20 0.00 -0.05 0.00 0.00 56.93 57.04 2kz5 s PHE 35 Cb 0.00 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.41 2kz5 s PHE 35 CO 0.00 -0.33 1.12 -1.25 -0.05 0.00 0.00 175.22 174.71 2kz5 s PRO 36 N -0.98 3.54 0.28 1.99 0.04 -1.26 -4.96 135.00 133.64 2kz5 s PRO 36 Ca -0.10 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2kz5 s PRO 36 Cb -0.05 -2.12 0.40 0.00 0.04 0.00 0.00 34.50 32.78 2kz5 s PRO 36 CO 0.03 -0.69 1.70 1.79 0.04 0.00 0.00 177.00 179.87 2kz5 h THR 37 N 1.43 1.28 -0.62 1.26 1.35 -1.96 -2.86 112.91 112.80 2kz5 h THR 37 Ca -0.50 -1.36 0.11 0.00 -0.55 0.00 0.00 66.41 64.12 2kz5 h THR 37 Cb 1.25 1.46 -0.08 0.00 -1.73 0.00 0.00 68.15 69.04 2kz5 h THR 37 CO 0.58 0.42 0.16 0.44 -0.25 0.00 0.00 175.52 176.87 2kz5 h ASP 38 N 0.37 0.06 -0.94 5.36 5.19 -2.00 -1.01 116.42 123.45 2kz5 h ASP 38 Ca 0.05 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2kz5 h ASP 38 Cb 0.73 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.33 2kz5 h ASP 38 CO 0.06 0.04 0.58 0.50 -3.12 0.00 0.00 179.24 177.30 2kz5 h LYS 39 N 0.30 1.26 -0.09 3.56 3.64 -1.90 -1.00 116.57 122.33 2kz5 h LYS 39 Ca 0.32 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2kz5 h LYS 39 Cb 0.47 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kz5 h LYS 39 CO -0.39 0.86 0.08 0.82 -2.27 0.00 0.00 179.45 178.55 2kz5 h ILE 40 N 1.29 0.78 0.12 2.00 2.04 -1.12 -1.47 117.51 121.15 2kz5 h ILE 40 Ca 0.34 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.85 2kz5 h ILE 40 Cb -0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2kz5 h ILE 40 CO -0.07 0.00 -1.85 0.58 0.00 0.00 0.00 178.15 176.81 2kz5 h VAL 41 N 0.00 0.73 -0.00 1.67 2.07 -0.78 -3.38 116.25 116.56 2kz5 h VAL 41 Ca 0.04 -2.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.11 2kz5 h VAL 41 Cb 0.20 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2kz5 h VAL 41 CO -0.00 0.83 -0.47 0.78 0.02 0.00 0.00 177.57 178.73 2kz5 h ASN 42 N -0.05 0.00 -3.34 0.57 2.35 -1.03 -3.43 115.58 110.66 2kz5 h ASN 42 Ca -0.40 -0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.79 2kz5 h ASN 42 Cb 1.96 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.28 2kz5 h ASN 42 CO 0.07 0.47 0.34 -0.76 -1.65 0.00 0.00 177.43 175.91 2kz5 s LEU 43 N -7.97 4.27 0.92 1.61 1.43 -0.57 -5.06 118.68 113.31 2kz5 s LEU 43 Ca -0.02 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.33 2kz5 s LEU 43 Cb 0.14 -3.34 0.14 0.00 0.03 0.00 0.00 46.19 43.16 2kz5 s LEU 43 CO 0.74 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.95 2kz5 s PRO 44 N 1.51 1.05 0.47 1.29 0.04 -1.26 -4.57 135.00 133.53 2kz5 s PRO 44 Ca 0.43 0.91 0.27 0.00 0.04 0.00 0.00 61.00 62.66 2kz5 s PRO 44 Cb -0.18 -1.78 1.33 0.00 0.04 0.00 0.00 34.50 33.91 2kz5 s PRO 44 CO 0.19 -2.41 1.79 -0.24 0.04 0.00 0.00 177.00 176.36 2kz5 h VAL 45 N -1.67 0.46 0.75 -0.36 3.04 -1.97 0.15 116.25 116.65 2kz5 h VAL 45 Ca -0.50 -0.07 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 2kz5 h VAL 45 Cb 1.28 0.25 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2kz5 h VAL 45 CO 0.53 0.04 -0.36 -0.78 -1.01 0.00 0.00 177.57 175.98 2kz5 h ASP 46 N 0.19 -0.86 0.29 3.17 1.82 -2.01 -1.42 116.42 117.60 2kz5 h ASP 46 Ca 0.58 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 57.19 2kz5 h ASP 46 Cb 1.89 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 42.11 2kz5 h ASP 46 CO -0.16 -0.61 -0.30 0.44 -1.61 0.00 0.00 179.24 176.99 2kz5 h ASP 47 N -1.01 0.02 0.48 2.28 3.32 -1.68 -3.10 116.42 116.72 2kz5 h ASP 47 Ca -0.10 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2kz5 h ASP 47 Cb 0.78 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2kz5 h ASP 47 CO 0.17 0.32 -0.24 0.15 -1.72 0.00 0.00 179.24 177.91 2kz5 h PHE 48 N 0.02 -0.63 -0.03 4.55 3.57 -0.64 0.09 116.94 123.87 2kz5 h PHE 48 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kz5 h PHE 48 Cb 0.54 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2kz5 h PHE 48 CO 0.00 -0.39 0.02 -0.91 -2.23 0.00 0.00 178.31 174.80 2kz5 h ASN 49 N -0.66 0.00 -0.13 0.41 2.35 -1.22 -0.81 115.58 115.52 2kz5 h ASN 49 Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2kz5 h ASN 49 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2kz5 h ASN 49 CO 0.10 0.00 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.49 2kz5 h GLU 50 N 0.00 0.27 -1.01 0.81 4.39 -1.41 -3.26 114.58 114.37 2kz5 h GLU 50 Ca 0.01 -0.12 0.13 0.00 0.34 0.00 0.00 59.36 59.73 2kz5 h GLU 50 Cb 0.06 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 2kz5 h GLU 50 CO -0.00 0.60 0.63 1.25 -1.16 0.00 0.00 179.01 180.33 2kz5 h LEU 51 N -0.06 0.90 -1.95 1.33 5.85 0.46 -0.96 115.31 120.88 2kz5 h LEU 51 Ca 0.03 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2kz5 h LEU 51 Cb 0.51 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2kz5 h LEU 51 CO 0.02 0.45 0.18 -0.07 -0.34 0.00 0.00 178.44 178.68 2kz5 h LEU 52 N 0.95 0.05 -0.25 2.25 3.38 -1.45 -1.03 115.31 119.21 2kz5 h LEU 52 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2kz5 h LEU 52 Cb 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kz5 h LEU 52 CO -0.29 0.03 -0.31 0.00 0.09 0.00 0.00 178.44 177.96 2kz5 n ALA 53 N -2.57 3.17 0.36 1.53 0.00 -0.38 -4.01 120.51 118.61 2kz5 n ALA 53 Ca 0.03 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.22 2kz5 n ALA 53 Cb 0.29 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.73 2kz5 n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz5 n ARG 54 N -1.05 2.19 -3.82 0.00 1.74 -0.40 -4.90 116.66 110.42 2kz5 n ARG 54 Ca 0.10 -2.02 -0.13 0.00 -0.77 0.00 0.00 57.85 55.03 2kz5 n ARG 54 Cb 0.33 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.40 -0.07 -0.48 -1.55 2.02 -1.21 -5.09 117.35 109.58 2kz5 s TYR 55 Ca 0.31 0.21 -0.27 0.00 -0.37 0.00 0.00 57.07 56.95 2kz5 s TYR 55 Cb 0.19 -0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.67 2kz5 s TYR 55 CO 0.26 -0.07 1.98 -2.14 -1.57 0.00 0.00 175.55 174.01 2kz5 s PRO 56 N 0.42 2.76 0.03 -1.71 0.02 -1.26 -4.94 135.00 130.32 2kz5 s PRO 56 Ca -0.03 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.12 2kz5 s PRO 56 Cb -0.05 -4.37 -0.02 0.00 0.02 0.00 0.00 34.50 30.09 2kz5 s PRO 56 CO -0.02 -2.55 -0.10 -0.51 -0.33 0.00 0.00 177.00 173.50 2kz5 s LEU 57 N 9.02 2.16 0.55 -5.54 1.43 -1.26 -4.97 118.68 120.07 2kz5 s LEU 57 Ca 0.79 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 2kz5 s LEU 57 Cb -0.18 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.60 2kz5 s LEU 57 CO 0.26 -0.03 0.97 0.42 0.23 0.00 0.00 176.35 178.20 2kz5 s THR 58 N -0.85 4.68 0.37 5.49 -4.23 -1.26 -4.84 115.64 114.99 2kz5 s THR 58 Ca -0.02 0.90 0.13 0.00 -1.18 0.00 0.00 61.69 61.53 2kz5 s THR 58 Cb -0.07 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.31 2kz5 s THR 58 CO 0.01 -0.90 1.82 -0.33 -0.54 0.00 0.00 174.62 174.67 2kz5 h GLU 59 N 0.31 0.53 -0.52 3.99 5.08 -2.01 0.42 114.58 122.37 2kz5 h GLU 59 Ca -0.46 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2kz5 h GLU 59 Cb 1.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2kz5 h GLU 59 CO 0.62 0.35 0.16 0.77 -1.00 0.00 0.00 179.01 179.91 2kz5 h SER 60 N 0.55 0.72 -0.14 1.42 0.02 -1.99 -1.29 113.55 112.83 2kz5 h SER 60 Ca 0.53 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.22 2kz5 h SER 60 Cb 1.10 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2kz5 h SER 60 CO -0.27 0.69 -0.47 1.56 -1.14 0.00 0.00 176.83 177.20 2kz5 h GLN 61 N 0.76 0.57 -0.47 3.45 4.20 -0.59 -2.86 115.11 120.17 2kz5 h GLN 61 Ca 0.17 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2kz5 h GLN 61 Cb 0.23 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2kz5 h GLN 61 CO -0.01 1.04 0.31 -0.07 -0.67 0.00 0.00 178.83 179.43 2kz5 h LEU 62 N 0.21 0.53 -1.23 1.46 4.07 -1.08 -0.88 115.31 118.39 2kz5 h LEU 62 Ca -0.02 -0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.07 2kz5 h LEU 62 Cb 1.09 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 2kz5 h LEU 62 CO 0.10 0.39 0.59 0.00 -1.08 0.00 0.00 178.44 178.43 2kz5 h ALA 63 N 1.17 1.79 0.24 1.53 0.00 -1.26 0.49 119.26 123.21 2kz5 h ALA 63 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2kz5 h ALA 63 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kz5 h ALA 63 CO -0.04 -0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.31 2kz5 h LEU 64 N 0.73 -0.27 -1.01 0.00 5.85 -1.18 -2.67 115.31 116.76 2kz5 h LEU 64 Ca 0.47 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.08 2kz5 h LEU 64 Cb 0.71 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 2kz5 h LEU 64 CO -0.23 0.12 0.63 0.58 -0.34 0.00 0.00 178.44 179.20 2kz5 h VAL 65 N -0.70 0.91 -0.34 1.05 2.07 -0.47 0.24 116.25 119.01 2kz5 h VAL 65 Ca -0.03 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2kz5 h VAL 65 Cb 0.48 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2kz5 h VAL 65 CO 0.05 0.18 -0.11 0.03 0.02 0.00 0.00 177.57 177.74 2kz5 h ARG 66 N 0.99 0.58 -0.09 1.57 3.08 -0.97 -2.17 114.38 117.37 2kz5 h ARG 66 Ca 0.50 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2kz5 h ARG 66 Cb 0.51 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2kz5 h ARG 66 CO -0.27 0.68 0.01 0.22 -1.07 0.00 0.00 179.97 179.55 2kz5 h ASP 67 N 0.53 0.14 -0.48 7.04 1.82 -0.66 -2.05 116.42 122.77 2kz5 h ASP 67 Ca 0.10 -0.26 0.10 0.00 -0.39 0.00 0.00 57.03 56.57 2kz5 h ASP 67 Cb 0.51 -0.04 -0.10 0.00 0.68 0.00 0.00 39.33 40.39 2kz5 h ASP 67 CO 0.03 0.36 -0.17 0.40 -1.61 0.00 0.00 179.24 178.25 2kz5 h ILE 68 N -0.10 0.43 -0.68 2.25 2.04 -0.94 -0.96 117.51 119.56 2kz5 h ILE 68 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2kz5 h ILE 68 Cb 0.28 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2kz5 h ILE 68 CO 0.00 0.00 0.41 -0.09 0.00 0.00 0.00 178.15 178.47 2kz5 h ARG 69 N -0.06 0.78 -0.77 2.37 1.12 -1.35 -0.82 114.38 115.65 2kz5 h ARG 69 Ca 0.23 -0.05 0.09 0.00 -1.11 0.00 0.00 59.98 59.14 2kz5 h ARG 69 Cb 0.41 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 30.15 2kz5 h ARG 69 CO -0.53 0.51 0.50 -0.09 -3.11 0.00 0.00 179.97 177.26 2kz5 h ARG 70 N 0.80 0.71 0.00 0.20 9.65 -0.46 -2.20 114.38 123.08 2kz5 h ARG 70 Ca 0.28 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2kz5 h ARG 70 Cb 0.05 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 2kz5 h ARG 70 CO -0.12 0.47 -0.07 0.00 2.80 0.00 0.00 179.97 183.05 2kz5 h ARG 71 N 0.73 0.00 -0.60 0.20 2.47 -0.62 -3.39 114.38 113.16 2kz5 h ARG 71 Ca 0.35 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2kz5 h ARG 71 Cb 0.39 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 2kz5 h ARG 71 CO -0.13 0.00 0.35 0.78 0.56 0.00 0.00 179.97 181.54 2kz5 h GLY 72 N -0.71 0.87 2.00 0.04 0.00 -1.24 -2.53 103.07 101.50 2kz5 h GLY 72 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2kz5 h GLY 72 CO 0.00 0.35 0.00 1.70 0.00 0.00 0.00 176.54 178.59 2kz5 h LYS 73 N 0.83 0.00 -0.92 4.80 1.63 -1.60 -2.06 116.57 119.26 2kz5 h LYS 73 Ca 0.22 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.12 2kz5 h LYS 73 Cb -0.02 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 2kz5 h LYS 73 CO -0.04 0.00 0.59 -0.97 -3.45 0.00 0.00 179.45 175.58 2kz5 h ASN 74 N 0.00 0.82 -0.55 4.20 -0.73 -1.65 -0.84 115.58 116.83 2kz5 h ASN 74 Ca 0.00 0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 2kz5 h ASN 74 Cb 0.00 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 2kz5 h ASN 74 CO 0.00 0.47 -0.09 0.50 -0.37 0.00 0.00 177.43 177.94 2kz5 h LYS 75 N 0.90 1.05 -1.13 6.67 3.64 -1.59 -3.01 116.57 123.09 2kz5 h LYS 75 Ca 0.43 -0.38 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 2kz5 h LYS 75 Cb 0.44 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.02 2kz5 h LYS 75 CO -0.19 1.07 0.41 0.28 -2.27 0.00 0.00 179.45 178.75 2kz5 n VAL 76 N -4.15 2.46 -0.01 2.00 0.31 -0.38 -3.87 118.33 114.70 2kz5 n VAL 76 Ca 0.02 -1.33 0.03 0.00 -0.01 0.00 0.00 64.34 63.05 2kz5 n VAL 76 Cb 0.40 -0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 2kz5 n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kz5 n ALA 77 N -0.27 2.24 -0.29 3.52 0.00 -0.85 -4.74 120.51 120.13 2kz5 n ALA 77 Ca 0.35 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.62 2kz5 n ALA 77 Cb 1.00 -0.23 0.16 0.00 0.00 0.00 0.00 19.45 20.39 2kz5 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kz5 h ALA 78 N 0.65 1.15 0.00 0.00 0.00 -1.73 0.24 119.26 119.56 2kz5 h ALA 78 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kz5 h ALA 78 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kz5 h ALA 78 CO 0.00 0.08 0.00 1.96 0.00 0.00 0.00 179.25 181.29 2kz5 h GLN 79 N 0.77 0.00 0.00 0.00 1.08 -1.88 -3.24 115.11 111.83 2kz5 h GLN 79 Ca 0.39 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.58 2kz5 h GLN 79 Cb 0.37 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2kz5 h GLN 79 CO -0.25 0.00 -0.29 0.27 -0.95 0.00 0.00 178.83 177.61 2kz5 n ASN 80 N -2.90 1.64 -2.56 1.46 0.23 -0.44 -4.45 115.26 108.24 2kz5 n ASN 80 Ca 0.02 -2.96 -0.08 0.00 -0.53 0.00 0.00 54.58 51.04 2kz5 n ASN 80 Cb 0.38 -0.40 0.05 0.00 -2.08 0.00 0.00 39.78 37.73 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kz5 n TYR 81 N -0.92 -3.83 -1.69 -2.53 9.36 0.71 -4.58 117.16 113.67 2kz5 n TYR 81 Ca 0.13 -0.36 -0.39 0.00 3.32 0.00 0.00 57.90 60.60 2kz5 n TYR 81 Cb 0.71 -0.26 0.04 0.00 -0.63 0.00 0.00 39.34 39.20 2kz5 n TYR 81 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2kz5 n ARG 82 N -1.71 1.41 -0.67 2.98 1.85 -1.26 -2.05 116.66 117.21 2kz5 n ARG 82 Ca 0.05 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 2kz5 n ARG 82 Cb 0.16 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.17 2kz5 n ARG 82 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kz5 n LYS 83 N -0.92 0.00 -4.13 2.89 5.02 -1.26 -4.98 118.16 114.78 2kz5 n LYS 83 Ca 0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.15 2kz5 n LYS 83 Cb 0.45 -3.56 -0.06 0.00 -0.02 0.00 0.00 35.03 31.84 2kz5 n LYS 83 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kz5 s ARG 84 N -0.51 2.77 -1.24 1.97 1.81 -0.87 -5.03 118.95 117.84 2kz5 s ARG 84 Ca 0.00 -0.98 -0.20 0.00 -1.72 0.00 0.00 55.73 52.83 2kz5 s ARG 84 Cb 0.00 -2.54 -0.01 0.00 -0.45 0.00 0.00 34.95 31.95 2kz5 s ARG 84 CO 0.00 0.46 1.85 1.63 -0.68 0.00 0.00 175.30 178.55 2kz5 n LYS 85 N -0.48 2.41 -0.82 3.54 4.76 -1.26 -4.77 118.16 121.54 2kz5 n LYS 85 Ca -0.08 -2.85 -0.30 0.00 -2.87 0.00 0.00 58.31 52.20 2kz5 n LYS 85 Cb 0.56 -3.59 0.27 0.00 -1.84 0.00 0.00 35.03 30.42 2kz5 n LYS 85 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kz5 n LEU 86 N 11.12 0.00 -3.38 -0.35 -0.00 -1.26 -4.37 117.00 118.76 2kz5 n LEU 86 Ca 0.47 -1.09 -0.20 0.00 -0.00 0.00 0.00 56.01 55.19 2kz5 n LEU 86 Cb 0.46 -1.01 0.08 0.00 -0.00 0.00 0.00 43.42 42.95 2kz5 n LEU 86 CO 0.74 -2.38 0.18 -0.62 -0.00 0.00 0.00 177.39 175.31 2kz5 n GLU 87 N -5.17 -7.06 -3.57 1.47 -0.58 -1.26 -5.02 120.64 99.45 2kz5 n GLU 87 Ca 0.15 0.79 -0.23 0.00 -0.42 0.00 0.00 57.16 57.45 2kz5 n GLU 87 Cb 0.60 -5.70 -0.16 0.00 -0.57 0.00 0.00 31.44 25.61 2kz5 n GLU 87 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2kz5 s THR 88 N -3.32 -0.17 -0.59 2.62 2.01 -1.26 -5.10 115.64 109.83 2kz5 s THR 88 Ca 0.33 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 2kz5 s THR 88 Cb -0.15 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2kz5 s THR 88 CO 0.69 -0.25 2.08 -0.63 -0.69 0.00 0.00 174.62 175.82 2kz5 s ILE 89 N 2.20 3.22 0.09 1.82 -1.09 -1.26 -4.96 121.20 121.23 2kz5 s ILE 89 Ca 0.04 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.63 2kz5 s ILE 89 Cb -0.16 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2kz5 s ILE 89 CO -0.10 -0.57 -0.16 0.68 -1.23 0.00 0.00 174.94 173.56 2kz5 s VAL 90 N 10.43 2.94 -2.98 2.92 -7.23 -1.26 -5.26 120.40 119.95 2kz5 s VAL 90 Ca 0.79 -1.36 0.24 0.00 -1.81 0.00 0.00 61.98 59.84 2kz5 s VAL 90 Cb -0.14 -2.32 0.19 0.00 0.56 0.00 0.00 36.38 34.67 2kz5 s VAL 90 CO 0.21 0.18 1.26 0.00 -0.31 0.00 0.00 175.10 176.43