#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 2.37 3.48 3.17 0.00 -1.26 -5.01 105.19 107.94 2kz5 n GLY 2 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2kz5 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kz5 s HIS 3 N 0.00 3.13 -0.66 1.61 5.65 -1.26 -4.97 115.29 118.80 2kz5 s HIS 3 Ca 0.00 -1.58 -0.26 0.00 0.25 0.00 0.00 55.06 53.47 2kz5 s HIS 3 Cb 0.00 -4.39 -0.03 0.00 -1.18 0.00 0.00 32.58 26.98 2kz5 s HIS 3 CO 0.00 -1.55 1.91 -3.38 -0.65 0.00 0.00 174.74 171.08 2kz5 s HIS 4 N 2.77 1.64 -0.41 3.88 0.00 -1.26 -4.95 115.29 116.97 2kz5 s HIS 4 Ca 0.40 0.82 -0.08 0.00 -3.00 0.00 0.00 55.06 53.20 2kz5 s HIS 4 Cb -0.03 -4.04 0.08 0.00 -4.00 0.00 0.00 32.58 24.59 2kz5 s HIS 4 CO -0.05 -2.22 0.23 -1.58 -1.00 0.00 0.00 174.74 170.13 2kz5 s HIS 5 N 9.50 3.36 0.13 0.38 2.46 -1.26 -5.09 115.29 124.77 2kz5 s HIS 5 Ca 0.70 -1.67 -0.00 0.00 0.47 0.00 0.00 55.06 54.56 2kz5 s HIS 5 Cb -0.12 -2.93 -0.04 0.00 -0.13 0.00 0.00 32.58 29.36 2kz5 s HIS 5 CO 0.17 -0.86 0.29 -1.01 -2.47 0.00 0.00 174.74 170.87 2kz5 s HIS 6 N 1.38 3.50 0.86 3.88 0.09 -1.26 -5.10 115.29 118.63 2kz5 s HIS 6 Ca 0.03 0.28 -0.10 0.00 -0.00 0.00 0.00 55.06 55.27 2kz5 s HIS 6 Cb -0.23 -1.79 0.11 0.00 -0.00 0.00 0.00 32.58 30.67 2kz5 s HIS 6 CO 0.01 0.50 1.13 -3.38 -0.00 0.00 0.00 174.74 173.00 2kz5 s HIS 7 N -1.67 1.94 -0.15 1.40 -0.00 -1.26 -5.01 115.29 110.54 2kz5 s HIS 7 Ca 0.37 1.71 -0.08 0.00 -0.00 0.00 0.00 55.06 57.05 2kz5 s HIS 7 Cb -0.12 -3.26 -0.06 0.00 -0.00 0.00 0.00 32.58 29.14 2kz5 s HIS 7 CO 0.28 -2.48 -0.20 1.58 -0.00 0.00 0.00 174.74 173.91 2kz5 n HIS 8 N -3.92 0.00 -4.17 0.38 -0.00 -1.26 -5.09 115.22 101.16 2kz5 n HIS 8 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.73 2kz5 n HIS 8 Cb 0.52 -0.54 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 2kz5 n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kz5 s SER 9 N -6.37 0.98 -0.30 0.26 0.01 -1.26 -5.15 113.70 101.87 2kz5 s SER 9 Ca -0.22 -1.04 -0.12 0.00 1.31 0.00 0.00 55.95 55.88 2kz5 s SER 9 Cb 0.08 0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.59 2kz5 s SER 9 CO 0.27 -0.52 0.82 -1.38 0.41 0.00 0.00 173.24 172.85 2kz5 s HIS 10 N -3.71 -1.01 -0.16 2.43 0.00 -1.26 -5.18 115.29 106.41 2kz5 s HIS 10 Ca 0.14 1.73 -0.33 0.00 -3.00 0.00 0.00 55.06 53.60 2kz5 s HIS 10 Cb 0.06 0.60 0.13 0.00 -4.00 0.00 0.00 32.58 29.37 2kz5 s HIS 10 CO -0.04 -0.50 1.14 0.00 -1.00 0.00 0.00 174.74 174.34 2kz5 s MET 11 N 2.67 0.41 -0.09 -0.38 0.00 -1.26 -5.17 119.30 115.48 2kz5 s MET 11 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 55.69 55.51 2kz5 s MET 11 Cb -0.09 0.19 -0.03 0.00 0.00 0.00 0.00 34.83 34.90 2kz5 s MET 11 CO -0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 175.02 174.65 2kz5 s ALA 12 N -2.40 3.19 0.17 3.16 0.00 -1.26 -5.13 121.76 119.49 2kz5 s ALA 12 Ca 0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2kz5 s ALA 12 Cb -0.01 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 2kz5 s ALA 12 CO -0.05 0.54 0.39 0.15 0.00 0.00 0.00 175.76 176.79 2kz5 s LYS 13 N -0.71 3.60 0.27 0.00 -0.14 -1.26 -5.07 119.74 116.43 2kz5 s LYS 13 Ca 0.11 -0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 2kz5 s LYS 13 Cb -0.12 -2.83 -0.10 0.00 -1.68 0.00 0.00 37.83 33.11 2kz5 s LYS 13 CO 0.02 0.43 1.35 -1.25 -0.76 0.00 0.00 175.35 175.15 2kz5 s PRO 14 N -2.86 4.33 -0.49 -1.68 0.04 -1.26 -4.98 135.00 128.10 2kz5 s PRO 14 Ca 0.41 2.20 -0.25 0.00 0.04 0.00 0.00 61.00 63.40 2kz5 s PRO 14 Cb -0.12 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2kz5 s PRO 14 CO 0.26 -0.28 0.95 0.99 0.04 0.00 0.00 177.00 178.95 2kz5 s THR 15 N -0.42 4.42 -0.35 1.26 2.01 -1.26 -5.02 115.64 116.29 2kz5 s THR 15 Ca 0.55 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.93 2kz5 s THR 15 Cb -0.40 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.64 2kz5 s THR 15 CO 0.46 -0.94 0.89 0.00 -0.69 0.00 0.00 174.62 174.34 2kz5 s ALA 16 N 3.88 3.45 0.44 7.40 0.00 -1.26 -5.04 121.76 130.63 2kz5 s ALA 16 Ca 0.36 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.97 2kz5 s ALA 16 Cb -0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2kz5 s ALA 16 CO 0.25 -1.47 0.26 1.03 0.00 0.00 0.00 175.76 175.83 2kz5 s ARG 17 N 3.31 2.31 -0.14 0.00 0.52 -1.26 -5.16 118.95 118.53 2kz5 s ARG 17 Ca 0.37 -1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 53.48 2kz5 s ARG 17 Cb -0.13 -2.09 0.09 0.00 0.52 0.00 0.00 34.95 33.34 2kz5 s ARG 17 CO 0.16 -0.22 0.78 0.20 0.02 0.00 0.00 175.30 176.25 2kz5 s GLY 18 N -4.02 -0.47 -0.00 -3.53 0.00 -1.26 -5.18 107.32 92.86 2kz5 s GLY 18 Ca 0.41 1.75 -0.01 0.00 0.00 0.00 0.00 44.72 46.87 2kz5 s GLY 18 CO 0.23 1.25 0.02 1.85 0.00 0.00 0.00 173.10 176.44 2kz5 s GLU 19 N -0.66 0.07 0.04 2.90 2.12 -1.26 -5.16 118.70 116.74 2kz5 s GLU 19 Ca -0.05 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.20 2kz5 s GLU 19 Cb -0.02 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 2kz5 s GLU 19 CO 0.05 -0.01 0.03 0.00 -0.54 0.00 0.00 175.26 174.79 2kz5 s ALA 20 N -0.18 0.14 -0.55 6.30 0.00 -1.26 -5.13 121.76 121.07 2kz5 s ALA 20 Ca -0.02 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2kz5 s ALA 20 Cb -0.01 0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.49 2kz5 s ALA 20 CO -0.00 -0.29 0.37 0.20 0.00 0.00 0.00 175.76 176.03 2kz5 s GLY 21 N -2.18 2.19 0.00 0.00 0.00 -1.26 -4.97 107.32 101.11 2kz5 s GLY 21 Ca -0.04 -3.16 0.00 0.00 0.00 0.00 0.00 44.72 41.51 2kz5 s GLY 21 CO -0.05 1.40 0.00 -1.26 0.00 0.00 0.00 173.10 173.19 2kz5 n SER 22 N 2.71 0.00 -0.35 1.64 2.88 -1.26 -4.98 113.62 114.26 2kz5 n SER 22 Ca 0.17 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2kz5 n SER 22 Cb 0.37 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.96 2kz5 n SER 22 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kz5 h ARG 23 N 0.00 1.13 -0.62 -1.46 9.65 -2.01 -2.44 114.38 118.64 2kz5 h ARG 23 Ca 0.00 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 2kz5 h ARG 23 Cb 0.00 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.30 2kz5 h ARG 23 CO 0.00 0.75 0.16 -0.44 2.80 0.00 0.00 179.97 183.24 2kz5 h ASP 24 N 1.16 0.93 -0.99 -3.80 3.32 -1.99 -2.66 116.42 112.40 2kz5 h ASP 24 Ca 0.38 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 57.29 2kz5 h ASP 24 Cb 0.04 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.27 2kz5 h ASP 24 CO -0.13 0.91 0.63 -0.33 -1.72 0.00 0.00 179.24 178.60 2kz5 h GLU 25 N 0.90 1.05 -0.94 3.56 4.39 -1.83 -1.25 114.58 120.46 2kz5 h GLU 25 Ca 0.19 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2kz5 h GLU 25 Cb 0.34 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2kz5 h GLU 25 CO 0.00 0.69 0.61 0.00 -1.16 0.00 0.00 179.01 179.16 2kz5 h ARG 26 N 1.08 1.17 -0.42 2.33 2.47 -1.12 -0.49 114.38 119.39 2kz5 h ARG 26 Ca 0.45 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 59.08 2kz5 h ARG 26 Cb 0.29 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2kz5 h ARG 26 CO -0.21 0.77 0.17 0.00 0.56 0.00 0.00 179.97 181.26 2kz5 h ARG 27 N 1.20 0.64 0.74 0.04 2.47 -1.16 -1.65 114.38 116.66 2kz5 h ARG 27 Ca 0.36 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.93 2kz5 h ARG 27 Cb -0.04 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2kz5 h ARG 27 CO -0.11 0.59 -0.40 0.00 0.56 0.00 0.00 179.97 180.61 2kz5 h ALA 28 N 1.01 -1.08 0.00 0.04 0.00 -0.50 -1.97 119.26 116.77 2kz5 h ALA 28 Ca 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kz5 h ALA 28 Cb 0.20 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kz5 h ALA 28 CO -0.01 -1.11 -0.21 1.37 0.00 0.00 0.00 179.25 179.28 2kz5 h LEU 29 N -1.06 0.00 -0.94 0.00 8.10 -1.18 0.34 115.31 120.57 2kz5 h LEU 29 Ca -0.10 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.82 2kz5 h LEU 29 Cb 0.84 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.03 2kz5 h LEU 29 CO 0.13 0.21 0.04 0.00 -4.11 0.00 0.00 178.44 174.72 2kz5 h ALA 30 N 1.79 1.12 -0.69 0.17 0.00 -1.10 -2.56 119.26 117.98 2kz5 h ALA 30 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kz5 h ALA 30 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kz5 h ALA 30 CO 0.03 0.57 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 2kz5 n MET 31 N -4.23 3.01 -3.64 0.00 2.81 -0.76 -4.97 117.12 109.34 2kz5 n MET 31 Ca 0.03 -2.66 -0.21 0.00 -1.81 0.00 0.00 57.70 53.05 2kz5 n MET 31 Cb 0.28 -1.67 0.05 0.00 -0.71 0.00 0.00 33.22 31.17 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 1.44 -5.71 -2.45 0.03 5.02 -0.04 -4.94 118.16 111.50 2kz5 n LYS 32 Ca 0.24 0.70 -0.43 0.00 -2.02 0.00 0.00 58.31 56.81 2kz5 n LYS 32 Cb 0.70 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 30.22 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 -3.51 4.31 -0.12 -0.18 -1.09 -0.34 -4.94 121.20 115.32 2kz5 s ILE 33 Ca 0.11 1.58 0.01 0.00 -2.23 0.00 0.00 60.65 60.12 2kz5 s ILE 33 Cb -0.05 -4.04 0.09 0.00 -1.58 0.00 0.00 42.46 36.87 2kz5 s ILE 33 CO 0.78 -0.16 1.08 -0.81 -1.23 0.00 0.00 174.94 174.60 2kz5 n PRO 34 N 6.63 1.18 -3.63 2.79 -0.04 -1.26 -4.77 135.00 135.91 2kz5 n PRO 34 Ca 0.14 -0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.07 2kz5 n PRO 34 Cb 0.45 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.48 -0.61 0.52 0.54 -0.12 -1.26 -5.17 117.98 111.41 2kz5 s PHE 35 Ca 0.07 1.31 -0.21 0.00 -0.05 0.00 0.00 56.93 58.05 2kz5 s PHE 35 Cb 0.06 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.67 2kz5 s PHE 35 CO 0.01 -0.43 1.21 -1.25 -0.05 0.00 0.00 175.22 174.71 2kz5 s PRO 36 N -0.39 3.38 0.20 1.99 0.04 -1.26 -4.97 135.00 133.99 2kz5 s PRO 36 Ca -0.05 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2kz5 s PRO 36 Cb -0.03 -2.20 0.14 0.00 0.04 0.00 0.00 34.50 32.45 2kz5 s PRO 36 CO 0.04 -0.89 1.50 1.79 0.04 0.00 0.00 177.00 179.49 2kz5 h THR 37 N 1.44 1.35 -0.79 1.26 1.35 -1.97 -3.06 112.91 112.48 2kz5 h THR 37 Ca -0.50 -1.90 0.06 0.00 -0.55 0.00 0.00 66.41 63.52 2kz5 h THR 37 Cb 1.27 1.89 -0.06 0.00 -1.73 0.00 0.00 68.15 69.53 2kz5 h THR 37 CO 0.58 0.58 0.47 -2.24 -0.25 0.00 0.00 175.52 174.66 2kz5 h ASP 38 N 0.34 0.73 -0.10 5.36 3.04 -2.00 -1.37 116.42 122.42 2kz5 h ASP 38 Ca -0.00 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2kz5 h ASP 38 Cb 1.14 -0.13 -0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2kz5 h ASP 38 CO 0.11 0.46 0.06 0.50 -2.04 0.00 0.00 179.24 178.33 2kz5 h LYS 39 N 0.86 0.14 -0.71 4.15 3.64 -1.95 -1.84 116.57 120.85 2kz5 h LYS 39 Ca 0.35 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.87 2kz5 h LYS 39 Cb 0.19 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 2kz5 h LYS 39 CO -0.18 0.13 0.12 0.82 -2.27 0.00 0.00 179.45 178.07 2kz5 h ILE 40 N 0.10 0.49 -0.30 2.00 2.04 -1.25 0.87 117.51 121.47 2kz5 h ILE 40 Ca 0.04 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.66 2kz5 h ILE 40 Cb 0.03 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2kz5 h ILE 40 CO -0.01 0.04 -0.46 0.58 0.00 0.00 0.00 178.15 178.30 2kz5 h VAL 41 N 0.21 1.28 -0.01 1.67 2.07 -1.07 -3.25 116.25 117.15 2kz5 h VAL 41 Ca 0.39 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2kz5 h VAL 41 Cb 0.67 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2kz5 h VAL 41 CO -0.53 0.54 -0.14 0.59 0.02 0.00 0.00 177.57 178.04 2kz5 n ASN 42 N -4.09 1.23 -4.78 0.57 3.02 -0.71 -4.88 115.26 105.62 2kz5 n ASN 42 Ca -0.04 -1.15 -0.37 0.00 -0.03 0.00 0.00 54.58 52.99 2kz5 n ASN 42 Cb 0.58 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.28 4.18 0.94 3.41 1.43 0.25 -5.05 118.68 121.56 2kz5 s LEU 43 Ca 0.30 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 2kz5 s LEU 43 Cb 0.20 -4.13 0.14 0.00 0.03 0.00 0.00 46.19 42.43 2kz5 s LEU 43 CO 0.44 -0.44 1.01 -2.65 0.23 0.00 0.00 176.35 174.94 2kz5 n PRO 44 N 0.06 -0.59 -0.36 1.29 -0.02 -1.26 -4.71 135.00 129.41 2kz5 n PRO 44 Ca 0.04 -0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.46 2kz5 n PRO 44 Cb 0.49 -2.28 0.20 0.00 -0.02 0.00 0.00 33.50 31.90 2kz5 n PRO 44 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2kz5 h VAL 45 N -1.91 0.99 0.25 -1.45 3.04 -1.97 0.12 116.25 115.33 2kz5 h VAL 45 Ca -0.44 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 2kz5 h VAL 45 Cb 1.28 -0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2kz5 h VAL 45 CO 0.40 0.19 -0.12 0.44 -1.01 0.00 0.00 177.57 177.48 2kz5 h ASP 46 N 1.06 -0.29 -0.11 3.17 3.32 -2.00 -2.06 116.42 119.52 2kz5 h ASP 46 Ca 0.46 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2kz5 h ASP 46 Cb 0.33 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2kz5 h ASP 46 CO -0.22 0.09 0.00 0.44 -1.72 0.00 0.00 179.24 177.83 2kz5 h ASP 47 N -0.71 0.26 0.01 6.45 5.19 -1.88 -0.02 116.42 125.72 2kz5 h ASP 47 Ca -0.03 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2kz5 h ASP 47 Cb 0.49 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2kz5 h ASP 47 CO 0.06 0.31 -0.01 0.15 -3.12 0.00 0.00 179.24 176.63 2kz5 h PHE 48 N 0.28 -0.01 -0.86 4.55 3.57 -0.73 0.45 116.94 124.20 2kz5 h PHE 48 Ca 0.07 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2kz5 h PHE 48 Cb 0.19 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2kz5 h PHE 48 CO 0.00 0.07 0.47 -0.91 -2.23 0.00 0.00 178.31 175.71 2kz5 h ASN 49 N -0.09 1.07 -0.38 0.41 2.35 -0.83 -2.15 115.58 115.96 2kz5 h ASN 49 Ca -0.00 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2kz5 h ASN 49 Cb 0.09 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 2kz5 h ASN 49 CO 0.00 0.86 0.09 -0.33 -1.65 0.00 0.00 177.43 176.40 2kz5 h GLU 50 N 1.19 0.21 -0.23 0.81 4.39 -0.86 -1.56 114.58 118.53 2kz5 h GLU 50 Ca 0.30 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.05 2kz5 h GLU 50 Cb 0.03 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.56 2kz5 h GLU 50 CO -0.05 0.14 -0.27 1.25 -1.16 0.00 0.00 179.01 178.92 2kz5 h LEU 51 N 0.22 -0.85 -1.62 1.33 5.85 -0.27 0.19 115.31 120.16 2kz5 h LEU 51 Ca 0.18 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2kz5 h LEU 51 Cb 0.21 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2kz5 h LEU 51 CO -0.23 -0.30 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.41 2kz5 h LEU 52 N -0.28 0.00 0.00 2.25 3.38 -1.30 -1.17 115.31 118.18 2kz5 h LEU 52 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kz5 h LEU 52 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kz5 h LEU 52 CO -0.39 0.08 -0.36 0.00 0.09 0.00 0.00 178.44 177.86 2kz5 h ALA 53 N 1.92 0.81 0.00 1.53 0.00 -0.12 -3.35 119.26 120.05 2kz5 h ALA 53 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2kz5 h ALA 53 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2kz5 h ALA 53 CO 0.01 0.00 -1.91 0.54 0.00 0.00 0.00 179.25 177.89 2kz5 n ARG 54 N -2.89 0.65 -3.56 0.00 1.74 0.51 -4.83 116.66 108.28 2kz5 n ARG 54 Ca 0.03 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.86 2kz5 n ARG 54 Cb 0.53 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.67 3.22 -1.05 -1.55 1.51 -0.52 -5.02 117.35 111.27 2kz5 s TYR 55 Ca -0.06 -0.24 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 2kz5 s TYR 55 Cb 0.08 -2.44 -0.10 0.00 -0.11 0.00 0.00 41.96 39.39 2kz5 s TYR 55 CO 0.83 -0.36 1.92 -0.35 -1.11 0.00 0.00 175.55 176.49 2kz5 n PRO 56 N 5.08 1.75 -3.40 -1.71 -0.04 -1.26 -4.82 135.00 130.60 2kz5 n PRO 56 Ca -0.13 -2.31 -0.25 0.00 -0.04 0.00 0.00 63.50 60.77 2kz5 n PRO 56 Cb 0.50 -3.38 -0.02 0.00 -0.04 0.00 0.00 33.50 30.56 2kz5 n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kz5 s LEU 57 N 6.34 4.05 0.58 1.53 1.43 -1.26 -5.10 118.68 126.24 2kz5 s LEU 57 Ca 0.62 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.09 2kz5 s LEU 57 Cb 0.06 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 2kz5 s LEU 57 CO 0.12 -0.24 1.00 0.42 0.23 0.00 0.00 176.35 177.88 2kz5 s THR 58 N -2.22 4.65 0.19 5.49 -4.23 -1.26 -4.85 115.64 113.42 2kz5 s THR 58 Ca 0.41 0.98 -0.23 0.00 -1.18 0.00 0.00 61.69 61.67 2kz5 s THR 58 Cb -0.10 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2kz5 s THR 58 CO 0.34 -0.97 1.56 -0.33 -0.54 0.00 0.00 174.62 174.69 2kz5 h GLU 59 N 0.16 -0.13 -0.64 3.99 4.39 -2.00 0.19 114.58 120.55 2kz5 h GLU 59 Ca -0.45 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.40 2kz5 h GLU 59 Cb 1.19 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 2kz5 h GLU 59 CO 0.62 -0.08 0.44 0.77 -1.16 0.00 0.00 179.01 179.59 2kz5 h SER 60 N -0.13 0.25 -0.13 1.42 0.02 -1.99 -1.01 113.55 111.99 2kz5 h SER 60 Ca 0.23 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 2kz5 h SER 60 Cb 0.56 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2kz5 h SER 60 CO -0.79 0.14 -0.21 1.56 -1.14 0.00 0.00 176.83 176.38 2kz5 h GLN 61 N 0.28 0.37 -0.73 3.45 4.20 -1.00 -1.83 115.11 119.85 2kz5 h GLN 61 Ca 0.31 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 2kz5 h GLN 61 Cb 0.83 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 2kz5 h GLN 61 CO -0.07 0.81 0.21 -0.07 -0.67 0.00 0.00 178.83 179.04 2kz5 h LEU 62 N -0.03 1.08 -1.19 1.46 4.07 -1.05 -0.13 115.31 119.52 2kz5 h LEU 62 Ca 0.01 -0.21 0.07 0.00 0.08 0.00 0.00 57.88 57.83 2kz5 h LEU 62 Cb 0.79 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 42.19 2kz5 h LEU 62 CO 0.05 1.01 0.57 0.00 -1.08 0.00 0.00 178.44 178.99 2kz5 h ALA 63 N 1.12 1.57 0.08 1.53 0.00 -1.18 -1.25 119.26 121.14 2kz5 h ALA 63 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kz5 h ALA 63 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kz5 h ALA 63 CO -0.00 0.29 -0.04 1.25 0.00 0.00 0.00 179.25 180.75 2kz5 h LEU 64 N 0.96 -0.09 -0.68 0.00 5.85 -0.81 -2.97 115.31 117.56 2kz5 h LEU 64 Ca 0.38 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.77 2kz5 h LEU 64 Cb 0.25 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 2kz5 h LEU 64 CO -0.15 0.44 0.25 0.58 -0.34 0.00 0.00 178.44 179.22 2kz5 h VAL 65 N -0.67 0.69 -0.39 1.05 2.07 -0.71 0.39 116.25 118.67 2kz5 h VAL 65 Ca -0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2kz5 h VAL 65 Cb 0.54 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2kz5 h VAL 65 CO 0.02 0.07 0.01 0.03 0.02 0.00 0.00 177.57 177.73 2kz5 h ARG 66 N 0.41 0.62 -0.18 1.57 3.08 -1.34 -2.48 114.38 116.05 2kz5 h ARG 66 Ca 0.36 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.11 2kz5 h ARG 66 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2kz5 h ARG 66 CO -0.37 0.63 -0.57 0.22 -1.07 0.00 0.00 179.97 178.81 2kz5 h ASP 67 N 0.59 0.63 -0.51 7.04 3.58 -0.76 -3.07 116.42 123.91 2kz5 h ASP 67 Ca 0.12 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.24 2kz5 h ASP 67 Cb 0.35 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 2kz5 h ASP 67 CO 0.01 1.06 0.34 0.40 -2.88 0.00 0.00 179.24 178.17 2kz5 h ILE 68 N 0.42 1.13 -0.92 2.25 2.04 0.02 0.20 117.51 122.65 2kz5 h ILE 68 Ca 0.00 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2kz5 h ILE 68 Cb 1.12 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2kz5 h ILE 68 CO 0.11 0.13 0.60 -0.09 0.00 0.00 0.00 178.15 178.90 2kz5 h ARG 69 N 0.69 1.13 -0.66 2.37 2.43 -1.46 0.22 114.38 119.11 2kz5 h ARG 69 Ca 0.19 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2kz5 h ARG 69 Cb -0.08 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.19 2kz5 h ARG 69 CO -0.04 0.75 0.13 -0.09 -1.51 0.00 0.00 179.97 179.20 2kz5 h ARG 70 N 1.16 1.08 0.00 0.20 9.65 -1.29 -1.56 114.38 123.62 2kz5 h ARG 70 Ca 0.36 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.90 2kz5 h ARG 70 Cb -0.00 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 2kz5 h ARG 70 CO -0.11 0.98 -0.33 0.00 2.80 0.00 0.00 179.97 183.31 2kz5 h ARG 71 N 1.00 0.00 0.23 0.20 3.08 0.78 -1.91 114.38 117.76 2kz5 h ARG 71 Ca 0.20 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.93 2kz5 h ARG 71 Cb 0.41 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.49 2kz5 h ARG 71 CO 0.01 0.33 -1.47 0.78 -1.07 0.00 0.00 179.97 178.55 2kz5 h GLY 72 N 1.31 0.56 2.00 0.04 0.00 -0.44 -3.36 103.07 103.19 2kz5 h GLY 72 Ca -0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 47.33 45.80 2kz5 h GLY 72 CO 0.04 1.26 -0.40 1.70 0.00 0.00 0.00 176.54 179.14 2kz5 h LYS 73 N 0.08 0.00 -0.53 4.80 3.64 -1.23 -3.31 116.57 120.02 2kz5 h LYS 73 Ca -0.26 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2kz5 h LYS 73 Cb 2.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.89 2kz5 h LYS 73 CO 0.24 0.40 0.35 -2.95 -2.27 0.00 0.00 179.45 175.23 2kz5 h ASN 74 N 0.00 0.35 0.54 4.20 -1.07 -1.50 0.50 115.58 118.61 2kz5 h ASN 74 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.34 2kz5 h ASN 74 Cb 1.13 -0.07 0.01 0.00 -2.07 0.00 0.00 38.32 37.31 2kz5 h ASN 74 CO 0.05 0.22 -0.26 0.50 0.07 0.00 0.00 177.43 178.02 2kz5 h LYS 75 N 0.40 -0.69 0.00 4.14 3.64 -1.79 -3.15 116.57 119.12 2kz5 h LYS 75 Ca 0.24 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2kz5 h LYS 75 Cb 0.41 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2kz5 h LYS 75 CO -0.06 -0.40 -0.05 -0.24 -2.27 0.00 0.00 179.45 176.43 2kz5 h VAL 76 N -1.08 0.24 -0.04 2.00 3.04 -1.64 -2.37 116.25 116.39 2kz5 h VAL 76 Ca -0.07 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 2kz5 h VAL 76 Cb 0.61 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2kz5 h VAL 76 CO 0.12 0.05 -0.01 0.00 -1.01 0.00 0.00 177.57 176.72 2kz5 h ALA 77 N 1.95 1.91 -0.29 3.17 0.00 0.04 -1.40 119.26 124.64 2kz5 h ALA 77 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2kz5 h ALA 77 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 77 CO 0.01 0.07 0.22 0.00 0.00 0.00 0.00 179.25 179.55 2kz5 h ALA 78 N 1.93 2.23 -0.10 0.00 0.00 -1.41 0.65 119.26 122.56 2kz5 h ALA 78 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2kz5 h ALA 78 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kz5 h ALA 78 CO 0.00 -0.37 -0.77 1.96 0.00 0.00 0.00 179.25 180.07 2kz5 h GLN 79 N 0.00 0.55 -0.01 0.00 4.20 -1.44 -3.27 115.11 115.14 2kz5 h GLN 79 Ca 0.14 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2kz5 h GLN 79 Cb 0.57 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2kz5 h GLN 79 CO -0.00 1.09 -0.22 0.09 -0.67 0.00 0.00 178.83 179.12 2kz5 n ASN 80 N -3.87 1.64 -4.66 1.46 3.02 0.01 -4.90 115.26 107.96 2kz5 n ASN 80 Ca -0.06 -1.33 -0.43 0.00 -0.03 0.00 0.00 54.58 52.73 2kz5 n ASN 80 Cb 0.74 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 40.05 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 -2.31 2.48 0.04 3.10 5.04 0.21 -5.00 117.35 120.91 2kz5 s TYR 81 Ca 0.27 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 55.25 2kz5 s TYR 81 Cb 0.19 -3.68 -0.05 0.00 0.35 0.00 0.00 41.96 38.77 2kz5 s TYR 81 CO 0.46 -2.63 1.17 -0.98 -1.34 0.00 0.00 175.55 172.23 2kz5 s ARG 82 N 3.70 4.44 0.57 4.97 1.70 -1.26 -5.01 118.95 128.06 2kz5 s ARG 82 Ca 0.63 1.71 -0.08 0.00 -0.47 0.00 0.00 55.73 57.52 2kz5 s ARG 82 Cb -0.27 -3.38 -0.03 0.00 -0.57 0.00 0.00 34.95 30.70 2kz5 s ARG 82 CO 0.21 -0.25 0.93 0.15 -1.08 0.00 0.00 175.30 175.26 2kz5 s LYS 83 N 1.17 3.46 0.51 3.89 3.01 -1.26 -5.05 119.74 125.47 2kz5 s LYS 83 Ca 0.58 0.45 -0.20 0.00 -1.01 0.00 0.00 55.97 55.78 2kz5 s LYS 83 Cb -0.28 -2.21 -0.08 0.00 -1.01 0.00 0.00 37.83 34.26 2kz5 s LYS 83 CO 0.28 -0.47 1.07 -0.98 0.51 0.00 0.00 175.35 175.76 2kz5 s ARG 84 N -5.01 3.65 0.13 1.68 1.70 -1.26 -5.03 118.95 114.81 2kz5 s ARG 84 Ca 0.52 1.43 -0.26 0.00 -0.47 0.00 0.00 55.73 56.95 2kz5 s ARG 84 Cb -0.11 -2.06 -0.07 0.00 -0.57 0.00 0.00 34.95 32.14 2kz5 s ARG 84 CO 0.49 -0.57 0.81 0.21 -1.08 0.00 0.00 175.30 175.17 2kz5 s LYS 85 N -3.28 4.59 0.85 3.89 2.47 -1.26 -5.06 119.74 121.95 2kz5 s LYS 85 Ca 0.69 1.20 -0.10 0.00 -1.56 0.00 0.00 55.97 56.20 2kz5 s LYS 85 Cb -0.19 -3.31 0.10 0.00 -1.46 0.00 0.00 37.83 32.98 2kz5 s LYS 85 CO 0.23 0.43 1.12 -0.51 0.16 0.00 0.00 175.35 176.78 2kz5 s LEU 86 N -0.67 2.90 0.00 5.43 1.43 -1.26 -5.05 118.68 121.45 2kz5 s LEU 86 Ca 0.39 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2kz5 s LEU 86 Cb -0.23 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2kz5 s LEU 86 CO 0.26 -2.59 0.00 -1.84 0.23 0.00 0.00 176.35 172.42 2kz5 n GLU 87 N -3.89 0.45 -1.62 1.70 0.28 -1.26 -4.90 120.64 111.40 2kz5 n GLU 87 Ca 0.10 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.57 2kz5 n GLU 87 Cb 0.53 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.33 2kz5 n GLU 87 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2kz5 n THR 88 N -0.99 0.34 -2.32 3.84 -2.24 -1.26 -4.89 114.28 106.76 2kz5 n THR 88 Ca 0.00 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2kz5 n THR 88 Cb 0.00 -1.52 -0.02 0.00 -2.10 0.00 0.00 70.33 66.68 2kz5 n THR 88 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2kz5 s ILE 89 N 4.91 4.05 1.16 2.28 -1.09 -1.26 -5.02 121.20 126.22 2kz5 s ILE 89 Ca 1.01 1.32 -0.18 0.00 -2.23 0.00 0.00 60.65 60.57 2kz5 s ILE 89 Cb -0.91 -3.85 0.27 0.00 -1.58 0.00 0.00 42.46 36.38 2kz5 s ILE 89 CO 0.57 -0.07 1.12 0.68 -1.23 0.00 0.00 174.94 176.01 2kz5 s VAL 90 N 3.14 1.68 -2.09 2.92 -7.23 -1.26 -5.30 120.40 112.25 2kz5 s VAL 90 Ca 0.60 0.00 0.31 0.00 -1.81 0.00 0.00 61.98 61.08 2kz5 s VAL 90 Cb -0.26 -2.53 0.84 0.00 0.56 0.00 0.00 36.38 34.99 2kz5 s VAL 90 CO 0.21 0.00 2.14 0.00 -0.31 0.00 0.00 175.10 177.14