#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 1.20 3.57 3.17 0.00 -1.26 -4.77 105.19 107.09 2kz5 n GLY 2 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.15 0.11 1.61 4.02 -1.26 -4.76 115.29 117.16 2kz5 s HIS 3 Ca 0.00 -0.07 0.03 0.00 1.02 0.00 0.00 55.06 56.03 2kz5 s HIS 3 Cb 0.00 -4.27 -0.21 0.00 -1.02 0.00 0.00 32.58 27.07 2kz5 s HIS 3 CO 0.00 -1.63 1.24 1.25 1.02 0.00 0.00 174.74 176.63 2kz5 h HIS 4 N 9.91 0.20 -2.98 1.40 -0.00 -2.10 -3.45 115.15 118.14 2kz5 h HIS 4 Ca 0.21 -0.14 -0.15 0.00 -0.00 0.00 0.00 60.37 60.28 2kz5 h HIS 4 Cb 0.96 -0.01 -0.26 0.00 -0.00 0.00 0.00 27.41 28.10 2kz5 h HIS 4 CO 1.26 1.10 -0.38 -1.58 -0.00 0.00 0.00 177.93 178.33 2kz5 s HIS 5 N -2.74 -0.35 -0.05 5.26 5.65 -1.26 -5.17 115.29 116.62 2kz5 s HIS 5 Ca -0.01 0.84 -0.05 0.00 0.25 0.00 0.00 55.06 56.09 2kz5 s HIS 5 Cb 0.09 0.12 0.01 0.00 -1.18 0.00 0.00 32.58 31.62 2kz5 s HIS 5 CO 0.84 -0.19 0.14 -1.58 -0.65 0.00 0.00 174.74 173.31 2kz5 s HIS 6 N 0.43 -0.15 0.54 3.88 5.65 -1.26 -5.16 115.29 119.22 2kz5 s HIS 6 Ca -0.02 0.35 -0.19 0.00 0.25 0.00 0.00 55.06 55.45 2kz5 s HIS 6 Cb -0.04 0.05 -0.06 0.00 -1.18 0.00 0.00 32.58 31.35 2kz5 s HIS 6 CO -0.02 -0.09 1.10 -1.01 -0.65 0.00 0.00 174.74 174.07 2kz5 s HIS 7 N -0.02 2.78 1.01 3.88 4.02 -1.26 -5.05 115.29 120.65 2kz5 s HIS 7 Ca -0.01 1.55 -0.17 0.00 1.02 0.00 0.00 55.06 57.45 2kz5 s HIS 7 Cb -0.01 -3.19 0.22 0.00 -1.02 0.00 0.00 32.58 28.57 2kz5 s HIS 7 CO 0.00 -1.34 1.30 -1.01 1.02 0.00 0.00 174.74 174.71 2kz5 s HIS 8 N -1.94 1.34 -0.08 1.40 4.02 -1.26 -5.10 115.29 113.68 2kz5 s HIS 8 Ca 0.70 0.32 -0.04 0.00 1.02 0.00 0.00 55.06 57.06 2kz5 s HIS 8 Cb -0.21 -4.06 0.04 0.00 -1.02 0.00 0.00 32.58 27.33 2kz5 s HIS 8 CO 0.27 -2.89 0.17 -1.54 1.02 0.00 0.00 174.74 171.77 2kz5 s SER 9 N -4.77 -0.16 0.05 1.40 1.04 -1.26 -5.16 113.70 104.84 2kz5 s SER 9 Ca 0.74 0.36 -0.03 0.00 0.48 0.00 0.00 55.95 57.50 2kz5 s SER 9 Cb -0.04 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2kz5 s SER 9 CO 0.54 -0.15 0.04 -1.00 0.98 0.00 0.00 173.24 173.64 2kz5 s HIS 10 N 1.14 0.34 0.68 5.02 4.02 -1.26 -5.15 115.29 120.07 2kz5 s HIS 10 Ca -0.09 -0.76 -0.17 0.00 1.02 0.00 0.00 55.06 55.06 2kz5 s HIS 10 Cb -0.11 -0.25 0.01 0.00 -1.02 0.00 0.00 32.58 31.22 2kz5 s HIS 10 CO -0.06 -0.37 1.25 0.00 1.02 0.00 0.00 174.74 176.58 2kz5 s MET 11 N -3.17 2.39 -0.26 1.40 0.00 -1.26 -5.04 119.30 113.36 2kz5 s MET 11 Ca -0.00 1.93 -0.01 0.00 0.00 0.00 0.00 55.69 57.61 2kz5 s MET 11 Cb 0.02 -1.84 0.14 0.00 0.00 0.00 0.00 34.83 33.15 2kz5 s MET 11 CO -0.07 -1.68 0.37 0.00 0.00 0.00 0.00 175.02 173.63 2kz5 s ALA 12 N -1.64 -1.00 -0.37 3.16 0.00 -1.26 -5.13 121.76 115.52 2kz5 s ALA 12 Ca 0.79 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 2kz5 s ALA 12 Cb -0.34 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2kz5 s ALA 12 CO 0.41 -1.44 1.30 -1.59 0.00 0.00 0.00 175.76 174.45 2kz5 s LYS 13 N 2.51 3.76 0.03 0.00 -2.85 -1.26 -5.02 119.74 116.91 2kz5 s LYS 13 Ca 0.11 1.01 -0.14 0.00 -1.00 0.00 0.00 55.97 55.95 2kz5 s LYS 13 Cb -0.14 -3.93 -0.06 0.00 -2.06 0.00 0.00 37.83 31.64 2kz5 s LYS 13 CO -0.21 -1.32 0.43 -1.25 0.10 0.00 0.00 175.35 173.10 2kz5 s PRO 14 N 4.48 3.90 -0.52 1.78 0.04 -1.26 -5.07 135.00 138.35 2kz5 s PRO 14 Ca 0.56 0.39 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 2kz5 s PRO 14 Cb -0.14 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.39 2kz5 s PRO 14 CO 0.28 0.64 0.38 0.99 0.04 0.00 0.00 177.00 179.33 2kz5 s THR 15 N -1.19 4.14 -0.43 1.26 2.01 -1.26 -4.96 115.64 115.21 2kz5 s THR 15 Ca 0.27 -2.09 0.02 0.00 0.31 0.00 0.00 61.69 60.21 2kz5 s THR 15 Cb -0.16 -3.71 0.54 0.00 0.01 0.00 0.00 72.50 69.17 2kz5 s THR 15 CO 0.15 -0.81 1.85 0.00 -0.69 0.00 0.00 174.62 175.12 2kz5 n ALA 16 N 4.54 5.37 -4.38 7.40 0.00 -1.26 -4.93 120.51 127.25 2kz5 n ALA 16 Ca -0.02 -2.61 -0.26 0.00 0.00 0.00 0.00 53.44 50.55 2kz5 n ALA 16 Cb 0.41 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 2kz5 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz5 n ARG 17 N -0.85 0.50 0.00 0.00 5.12 -1.26 -5.01 116.66 115.16 2kz5 n ARG 17 Ca 0.52 -3.42 0.00 0.00 -1.93 0.00 0.00 57.85 53.03 2kz5 n ARG 17 Cb 1.33 2.29 0.00 0.00 -1.16 0.00 0.00 32.46 34.91 2kz5 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kz5 n GLY 18 N -0.75 0.72 3.21 -0.13 0.00 -1.26 -5.11 105.19 101.86 2kz5 n GLY 18 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2kz5 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kz5 s GLU 19 N -0.65 2.88 0.04 1.61 2.02 -1.26 -4.85 118.70 118.49 2kz5 s GLU 19 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 2kz5 s GLU 19 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 32.06 2kz5 s GLU 19 CO 0.00 0.19 0.51 0.00 0.02 0.00 0.00 175.26 175.98 2kz5 n ALA 20 N 3.48 -1.39 0.01 5.21 0.00 -1.26 -5.10 120.51 121.46 2kz5 n ALA 20 Ca -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2kz5 n ALA 20 Cb 0.53 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2kz5 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kz5 n GLY 21 N -0.36 -0.01 3.68 0.00 0.00 -1.26 -4.89 105.19 102.35 2kz5 n GLY 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2kz5 n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kz5 n SER 22 N -2.93 1.07 -0.08 1.61 7.64 -1.26 -4.69 113.62 114.98 2kz5 n SER 22 Ca 0.00 0.65 -0.12 0.00 1.01 0.00 0.00 58.87 60.40 2kz5 n SER 22 Cb 0.35 -1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 61.97 2kz5 n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kz5 h ARG 23 N -0.51 -0.38 -0.22 1.43 2.43 -1.99 -0.19 114.38 114.96 2kz5 h ARG 23 Ca -0.47 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2kz5 h ARG 23 Cb 1.31 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 2kz5 h ARG 23 CO 0.47 -0.25 0.04 -0.44 -1.51 0.00 0.00 179.97 178.28 2kz5 h ASP 24 N -0.39 0.28 -0.21 -3.80 3.32 -1.99 0.74 116.42 114.36 2kz5 h ASP 24 Ca 0.05 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2kz5 h ASP 24 Cb 0.53 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2kz5 h ASP 24 CO -0.46 0.30 0.07 -0.33 -1.72 0.00 0.00 179.24 177.10 2kz5 h GLU 25 N 0.31 0.17 -0.16 3.56 4.39 -1.72 -1.83 114.58 119.29 2kz5 h GLU 25 Ca 0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2kz5 h GLU 25 Cb 0.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2kz5 h GLU 25 CO -0.00 0.11 -0.22 0.00 -1.16 0.00 0.00 179.01 177.74 2kz5 h ARG 26 N 0.17 0.29 -0.48 2.33 3.08 0.51 -1.68 114.38 118.60 2kz5 h ARG 26 Ca 0.09 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kz5 h ARG 26 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2kz5 h ARG 26 CO -0.09 0.50 0.30 0.00 -1.07 0.00 0.00 179.97 179.61 2kz5 h ARG 27 N 0.26 0.64 0.66 0.04 3.08 -0.67 -0.79 114.38 117.60 2kz5 h ARG 27 Ca 0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2kz5 h ARG 27 Cb 0.54 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.46 2kz5 h ARG 27 CO 0.04 0.44 -0.32 0.00 -1.07 0.00 0.00 179.97 179.06 2kz5 h ALA 28 N 1.16 -0.89 -0.13 0.04 0.00 -0.82 -2.36 119.26 116.26 2kz5 h ALA 28 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kz5 h ALA 28 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 28 CO -0.04 -0.95 -0.16 1.37 0.00 0.00 0.00 179.25 179.47 2kz5 h LEU 29 N -0.99 0.20 -0.32 0.00 8.10 -1.33 0.26 115.31 121.23 2kz5 h LEU 29 Ca -0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 2kz5 h LEU 29 Cb 0.71 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.86 2kz5 h LEU 29 CO 0.15 0.39 0.09 0.00 -4.11 0.00 0.00 178.44 174.96 2kz5 h ALA 30 N 1.64 0.42 -0.01 0.17 0.00 -1.14 -1.91 119.26 118.43 2kz5 h ALA 30 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kz5 h ALA 30 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 30 CO 0.03 0.07 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 2kz5 n MET 31 N -4.66 1.08 -3.28 0.00 2.81 -0.89 -4.92 117.12 107.26 2kz5 n MET 31 Ca -0.02 -0.12 -0.18 0.00 -1.81 0.00 0.00 57.70 55.57 2kz5 n MET 31 Cb 0.18 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 31.29 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 -0.82 -5.86 -2.04 0.03 5.02 0.70 -4.95 118.16 110.25 2kz5 n LYS 32 Ca 0.21 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.74 2kz5 n LYS 32 Cb 0.13 -5.14 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.22 3.63 -0.47 -0.18 -1.09 -0.04 -4.91 121.20 114.92 2kz5 s ILE 33 Ca 0.42 0.75 0.03 0.00 -2.23 0.00 0.00 60.65 59.63 2kz5 s ILE 33 Cb -0.19 -3.52 0.24 0.00 -1.58 0.00 0.00 42.46 37.41 2kz5 s ILE 33 CO 0.52 -0.11 1.08 -0.81 -1.23 0.00 0.00 174.94 174.40 2kz5 n PRO 34 N 7.23 1.84 -3.78 2.79 -0.04 -1.26 -4.75 135.00 137.03 2kz5 n PRO 34 Ca 0.18 -0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 62.53 2kz5 n PRO 34 Cb 0.43 -1.57 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.31 -0.13 0.45 0.54 -0.71 -1.26 -5.16 117.98 110.39 2kz5 s PHE 35 Ca 0.18 0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.97 2kz5 s PHE 35 Cb 0.14 0.07 -0.08 0.00 -1.21 0.00 0.00 43.02 41.95 2kz5 s PHE 35 CO 0.04 -0.40 1.22 -1.25 -1.34 0.00 0.00 175.22 173.49 2kz5 s PRO 36 N -1.59 3.78 0.08 1.99 0.04 -1.26 -4.98 135.00 133.07 2kz5 s PRO 36 Ca -0.12 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 2kz5 s PRO 36 Cb -0.05 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.87 2kz5 s PRO 36 CO 0.02 -0.57 1.37 1.79 0.04 0.00 0.00 177.00 179.65 2kz5 h THR 37 N 2.03 1.32 -0.70 1.26 1.35 -1.97 -3.13 112.91 113.07 2kz5 h THR 37 Ca -0.49 -1.51 0.14 0.00 -0.55 0.00 0.00 66.41 64.00 2kz5 h THR 37 Cb 1.25 1.76 -0.10 0.00 -1.73 0.00 0.00 68.15 69.34 2kz5 h THR 37 CO 0.61 0.47 0.22 -0.78 -0.25 0.00 0.00 175.52 175.78 2kz5 h ASP 38 N 0.30 0.13 -0.21 5.36 3.58 -1.99 -0.55 116.42 123.05 2kz5 h ASP 38 Ca 0.02 0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.63 2kz5 h ASP 38 Cb 0.89 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 2kz5 h ASP 38 CO 0.07 0.04 0.01 0.50 -2.88 0.00 0.00 179.24 176.98 2kz5 h LYS 39 N 0.35 0.08 -0.69 0.28 3.64 -1.95 -1.18 116.57 117.09 2kz5 h LYS 39 Ca 0.38 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.91 2kz5 h LYS 39 Cb 0.59 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 2kz5 h LYS 39 CO -0.43 0.05 0.00 0.82 -2.27 0.00 0.00 179.45 177.63 2kz5 h ILE 40 N 0.08 0.41 -0.37 2.00 2.04 -1.07 0.31 117.51 120.91 2kz5 h ILE 40 Ca 0.10 -0.04 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 2kz5 h ILE 40 Cb 0.12 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2kz5 h ILE 40 CO -0.16 0.02 -0.28 0.58 0.00 0.00 0.00 178.15 178.31 2kz5 h VAL 41 N 0.11 1.28 -0.14 1.67 2.07 -1.06 -3.24 116.25 116.94 2kz5 h VAL 41 Ca 0.37 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2kz5 h VAL 41 Cb 0.62 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kz5 h VAL 41 CO -0.60 0.47 0.00 0.59 0.02 0.00 0.00 177.57 178.05 2kz5 n ASN 42 N -4.09 2.22 -4.76 0.57 3.02 -0.31 -4.87 115.26 107.04 2kz5 n ASN 42 Ca -0.01 -1.76 -0.39 0.00 -0.03 0.00 0.00 54.58 52.39 2kz5 n ASN 42 Cb 0.47 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.76 4.56 0.76 3.41 1.43 0.93 -5.02 118.68 122.98 2kz5 s LEU 43 Ca 0.34 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 2kz5 s LEU 43 Cb 0.20 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.78 2kz5 s LEU 43 CO 0.30 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.92 2kz5 s PRO 44 N -1.43 2.30 0.44 1.29 0.04 -1.26 -4.82 135.00 131.56 2kz5 s PRO 44 Ca 0.43 1.22 0.15 0.00 0.04 0.00 0.00 61.00 62.85 2kz5 s PRO 44 Cb -0.24 -1.90 1.06 0.00 0.04 0.00 0.00 34.50 33.47 2kz5 s PRO 44 CO 0.29 -1.61 1.97 -0.24 0.04 0.00 0.00 177.00 177.45 2kz5 h VAL 45 N -0.95 0.87 0.55 -0.36 3.04 -1.98 -1.09 116.25 116.32 2kz5 h VAL 45 Ca -0.44 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.09 2kz5 h VAL 45 Cb 1.24 0.45 0.01 0.00 -2.01 0.00 0.00 31.29 30.97 2kz5 h VAL 45 CO 0.51 0.07 -0.27 0.44 -1.01 0.00 0.00 177.57 177.32 2kz5 h ASP 46 N 0.38 -0.63 0.29 3.17 5.19 -2.01 -2.41 116.42 120.40 2kz5 h ASP 46 Ca 0.29 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 2kz5 h ASP 46 Cb 0.63 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2kz5 h ASP 46 CO -0.08 -0.38 -0.34 0.44 -3.12 0.00 0.00 179.24 175.76 2kz5 h ASP 47 N -0.88 0.08 0.39 6.45 3.32 -1.93 -3.11 116.42 120.74 2kz5 h ASP 47 Ca -0.08 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 2kz5 h ASP 47 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2kz5 h ASP 47 CO 0.12 0.42 -0.19 0.15 -1.72 0.00 0.00 179.24 178.02 2kz5 h PHE 48 N 0.07 -0.49 -0.50 4.55 3.57 -1.22 0.06 116.94 122.98 2kz5 h PHE 48 Ca 0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2kz5 h PHE 48 Cb 0.63 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2kz5 h PHE 48 CO 0.00 -0.25 0.34 -0.91 -2.23 0.00 0.00 178.31 175.26 2kz5 h ASN 49 N -0.62 0.34 -0.06 0.41 2.35 -1.42 -1.67 115.58 114.91 2kz5 h ASN 49 Ca -0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.47 2kz5 h ASN 49 Cb 0.46 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.77 2kz5 h ASN 49 CO 0.09 0.22 -0.85 -0.33 -1.65 0.00 0.00 177.43 174.91 2kz5 h GLU 50 N 0.39 0.73 -0.54 0.81 4.39 -1.45 -3.26 114.58 115.65 2kz5 h GLU 50 Ca 0.22 -0.65 0.10 0.00 0.34 0.00 0.00 59.36 59.37 2kz5 h GLU 50 Cb 0.37 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 2kz5 h GLU 50 CO -0.06 1.25 0.10 1.25 -1.16 0.00 0.00 179.01 180.39 2kz5 h LEU 51 N 0.48 -0.02 -0.45 1.33 5.85 -0.03 -1.74 115.31 120.73 2kz5 h LEU 51 Ca -0.07 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2kz5 h LEU 51 Cb 1.48 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.60 2kz5 h LEU 51 CO 0.17 0.01 0.13 -0.07 -0.34 0.00 0.00 178.44 178.34 2kz5 h LEU 52 N 0.24 0.10 -0.61 2.25 3.38 -1.54 -1.77 115.31 117.35 2kz5 h LEU 52 Ca 0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2kz5 h LEU 52 Cb 0.39 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kz5 h LEU 52 CO -0.37 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.25 2kz5 h ALA 53 N 1.32 1.00 0.00 1.53 0.00 -1.45 -2.89 119.26 118.76 2kz5 h ALA 53 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 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 -0.25 0.00 -0.21 0.54 0.00 0.00 0.00 179.25 179.33 2kz5 n ARG 54 N -2.41 0.05 -4.38 0.00 1.74 -0.67 -4.87 116.66 106.12 2kz5 n ARG 54 Ca 0.03 0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.86 2kz5 n ARG 54 Cb 0.30 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.03 2.37 0.00 -1.55 1.51 -1.09 -5.03 117.35 110.53 2kz5 s TYR 55 Ca 0.12 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2kz5 s TYR 55 Cb 0.17 -1.22 -0.16 0.00 -0.11 0.00 0.00 41.96 40.65 2kz5 s TYR 55 CO 0.61 0.44 2.68 -0.35 -1.11 0.00 0.00 175.55 177.82 2kz5 n PRO 56 N 0.51 1.42 -2.62 -1.71 -0.04 -1.26 -4.93 135.00 126.37 2kz5 n PRO 56 Ca -0.14 -0.58 -0.34 0.00 -0.04 0.00 0.00 63.50 62.39 2kz5 n PRO 56 Cb 0.55 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.00 3.92 0.46 1.53 1.43 -1.26 -5.06 118.68 119.69 2kz5 s LEU 57 Ca 0.39 1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.34 2kz5 s LEU 57 Cb 0.19 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 2kz5 s LEU 57 CO 0.00 -0.63 0.72 0.42 0.23 0.00 0.00 176.35 177.09 2kz5 s THR 58 N -1.98 4.55 0.63 5.49 -4.23 -1.26 -4.85 115.64 113.99 2kz5 s THR 58 Ca 0.64 -0.15 0.30 0.00 -1.18 0.00 0.00 61.69 61.30 2kz5 s THR 58 Cb -0.15 -3.71 0.34 0.00 1.34 0.00 0.00 72.50 70.31 2kz5 s THR 58 CO 0.19 -0.60 1.95 -0.33 -0.54 0.00 0.00 174.62 175.28 2kz5 h GLU 59 N 0.33 0.00 0.21 3.99 5.08 -2.00 0.42 114.58 122.60 2kz5 h GLU 59 Ca -0.47 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.57 2kz5 h GLU 59 Cb 1.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kz5 h GLU 59 CO 0.60 0.00 -1.44 0.77 -1.00 0.00 0.00 179.01 177.94 2kz5 h SER 60 N 0.00 0.68 -0.26 1.42 0.02 -2.00 -3.27 113.55 110.15 2kz5 h SER 60 Ca 0.08 -0.76 -0.11 0.00 -0.84 0.00 0.00 61.79 60.17 2kz5 h SER 60 Cb 0.80 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kz5 h SER 60 CO -0.00 1.60 -0.27 1.56 -1.14 0.00 0.00 176.83 178.58 2kz5 h GLN 61 N 0.12 0.64 -0.54 3.45 4.20 -0.60 -1.78 115.11 120.59 2kz5 h GLN 61 Ca -0.23 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.19 2kz5 h GLN 61 Cb 2.10 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.86 2kz5 h GLN 61 CO 0.24 0.94 0.36 -0.07 -0.67 0.00 0.00 178.83 179.64 2kz5 h LEU 62 N 0.36 0.48 0.00 1.46 4.07 -1.26 -0.40 115.31 120.01 2kz5 h LEU 62 Ca 0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2kz5 h LEU 62 Cb 0.83 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2kz5 h LEU 62 CO 0.07 0.32 -0.00 0.00 -1.08 0.00 0.00 178.44 177.74 2kz5 h ALA 63 N 1.70 -0.01 -0.46 1.53 0.00 -1.56 -2.51 119.26 117.95 2kz5 h ALA 63 Ca 0.23 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2kz5 h ALA 63 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2kz5 h ALA 63 CO -0.06 -0.38 0.24 1.25 0.00 0.00 0.00 179.25 180.30 2kz5 h LEU 64 N -0.26 0.36 -0.37 0.00 5.85 -0.68 0.30 115.31 120.50 2kz5 h LEU 64 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2kz5 h LEU 64 Cb 0.26 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2kz5 h LEU 64 CO 0.00 0.25 0.13 0.58 -0.34 0.00 0.00 178.44 179.06 2kz5 h VAL 65 N 0.48 0.89 0.00 1.05 2.07 -1.11 0.14 116.25 119.77 2kz5 h VAL 65 Ca 0.20 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 2kz5 h VAL 65 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2kz5 h VAL 65 CO -0.13 0.05 -0.31 0.03 0.02 0.00 0.00 177.57 177.23 2kz5 h ARG 66 N 0.28 0.00 0.37 1.57 3.08 -1.12 -1.95 114.38 116.61 2kz5 h ARG 66 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2kz5 h ARG 66 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2kz5 h ARG 66 CO -0.17 0.31 -0.18 0.22 -1.07 0.00 0.00 179.97 179.08 2kz5 h ASP 67 N 0.00 -0.42 -0.76 7.04 1.82 0.55 -2.33 116.42 122.32 2kz5 h ASP 67 Ca -0.00 -0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.57 2kz5 h ASP 67 Cb 0.81 0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.88 2kz5 h ASP 67 CO 0.04 0.01 0.50 0.40 -1.61 0.00 0.00 179.24 178.58 2kz5 h ILE 68 N -0.97 1.03 -0.82 2.25 2.04 -0.79 0.16 117.51 120.41 2kz5 h ILE 68 Ca -0.05 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kz5 h ILE 68 Cb 0.53 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2kz5 h ILE 68 CO 0.08 0.15 0.54 -0.09 0.00 0.00 0.00 178.15 178.83 2kz5 h ARG 69 N 0.81 1.03 -0.13 2.37 2.43 -1.38 -0.85 114.38 118.67 2kz5 h ARG 69 Ca 0.33 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2kz5 h ARG 69 Cb 0.25 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kz5 h ARG 69 CO -0.11 0.68 0.02 -0.09 -1.51 0.00 0.00 179.97 178.96 2kz5 h ARG 70 N 1.06 0.21 -1.05 0.20 9.65 -0.53 0.07 114.38 123.99 2kz5 h ARG 70 Ca 0.32 -0.06 0.28 0.00 -1.10 0.00 0.00 59.98 59.42 2kz5 h ARG 70 Cb -0.05 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.43 2kz5 h ARG 70 CO -0.09 0.40 0.70 0.00 2.80 0.00 0.00 179.97 183.77 2kz5 h ARG 71 N -0.01 0.27 0.02 0.20 2.47 -0.26 0.85 114.38 117.92 2kz5 h ARG 71 Ca 0.04 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.56 2kz5 h ARG 71 Cb 0.29 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2kz5 h ARG 71 CO 0.00 0.18 -0.99 0.78 0.56 0.00 0.00 179.97 180.50 2kz5 h GLY 72 N 0.28 0.04 2.00 0.04 0.00 -0.99 -3.38 103.07 101.06 2kz5 h GLY 72 Ca 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2kz5 h GLY 72 CO -0.20 0.09 -0.04 0.50 0.00 0.00 0.00 176.54 176.89 2kz5 h LYS 73 N -0.90 0.00 -0.84 4.80 1.57 -0.55 0.11 116.57 120.77 2kz5 h LYS 73 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2kz5 h LYS 73 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2kz5 h LYS 73 CO -0.12 0.04 0.54 -0.91 -0.57 0.00 0.00 179.45 178.43 2kz5 h ASN 74 N 0.00 0.98 -0.23 0.86 4.21 -1.02 0.18 115.58 120.56 2kz5 h ASN 74 Ca -0.00 -0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.37 2kz5 h ASN 74 Cb 0.28 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2kz5 h ASN 74 CO 0.00 0.72 -0.29 0.50 -1.29 0.00 0.00 177.43 177.08 2kz5 h LYS 75 N 1.14 0.60 -0.54 0.81 1.63 -1.15 -3.05 116.57 116.01 2kz5 h LYS 75 Ca 0.31 -0.34 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2kz5 h LYS 75 Cb -0.11 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2kz5 h LYS 75 CO -0.06 0.94 0.27 0.28 -3.45 0.00 0.00 179.45 177.42 2kz5 h VAL 76 N 0.29 1.20 0.00 2.00 2.07 -1.19 -2.83 116.25 117.80 2kz5 h VAL 76 Ca 0.03 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2kz5 h VAL 76 Cb 0.86 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kz5 h VAL 76 CO 0.07 0.22 -0.11 0.00 0.02 0.00 0.00 177.57 177.76 2kz5 h ALA 77 N 1.10 1.36 -0.21 1.67 0.00 -0.69 0.61 119.26 123.10 2kz5 h ALA 77 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2kz5 h ALA 77 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kz5 h ALA 77 CO -0.02 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 178.92 2kz5 h ALA 78 N 1.89 0.85 0.07 0.00 0.00 -1.38 -3.20 119.26 117.49 2kz5 h ALA 78 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kz5 h ALA 78 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kz5 h ALA 78 CO 0.01 0.65 -0.04 1.96 0.00 0.00 0.00 179.25 181.84 2kz5 h GLN 79 N 0.42 -0.10 -3.62 0.00 4.20 -1.21 -3.41 115.11 111.39 2kz5 h GLN 79 Ca 0.03 0.01 -0.75 0.00 0.06 0.00 0.00 58.65 58.00 2kz5 h GLN 79 Cb 0.94 0.02 -0.31 0.00 0.30 0.00 0.00 27.48 28.43 2kz5 h GLN 79 CO 0.08 0.33 -0.03 1.21 -0.67 0.00 0.00 178.83 179.76 2kz5 s ASN 80 N -5.68 6.24 -0.05 1.46 2.47 0.10 -5.03 114.94 114.44 2kz5 s ASN 80 Ca -0.10 -3.06 0.05 0.00 0.42 0.00 0.00 52.86 50.18 2kz5 s ASN 80 Cb -0.01 -2.05 -0.01 0.00 -1.45 0.00 0.00 41.25 37.74 2kz5 s ASN 80 CO 0.35 -0.40 -0.22 -0.47 -3.72 0.00 0.00 177.10 172.65 2kz5 s TYR 81 N -0.38 2.11 -0.28 0.43 5.04 -1.21 -4.54 117.35 118.53 2kz5 s TYR 81 Ca 0.21 -0.61 -0.20 0.00 -2.44 0.00 0.00 57.07 54.04 2kz5 s TYR 81 Cb -0.13 -1.40 0.10 0.00 0.35 0.00 0.00 41.96 40.88 2kz5 s TYR 81 CO -0.08 -0.19 0.80 -0.98 -1.34 0.00 0.00 175.55 173.77 2kz5 s ARG 82 N -0.10 0.65 0.00 4.97 3.03 -1.26 -5.13 118.95 121.11 2kz5 s ARG 82 Ca -0.03 0.97 -0.17 0.00 2.03 0.00 0.00 55.73 58.53 2kz5 s ARG 82 Cb -0.13 0.21 -0.06 0.00 -1.03 0.00 0.00 34.95 33.95 2kz5 s ARG 82 CO 0.03 -0.11 0.48 0.15 -1.13 0.00 0.00 175.30 174.71 2kz5 s LYS 83 N 1.07 4.09 -0.22 3.89 1.02 -1.26 -5.08 119.74 123.25 2kz5 s LYS 83 Ca -0.05 0.53 -0.26 0.00 0.02 0.00 0.00 55.97 56.21 2kz5 s LYS 83 Cb -0.05 -3.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.07 2kz5 s LYS 83 CO -0.12 0.58 0.70 -0.98 -0.92 0.00 0.00 175.35 174.61 2kz5 s ARG 84 N -0.78 0.88 -0.11 1.68 1.70 -1.26 -5.14 118.95 115.92 2kz5 s ARG 84 Ca 0.26 0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 56.05 2kz5 s ARG 84 Cb -0.17 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2kz5 s ARG 84 CO 0.15 -0.15 1.29 0.15 -1.08 0.00 0.00 175.30 175.66 2kz5 s LYS 85 N 0.04 4.27 -0.37 3.89 1.02 -1.26 -4.96 119.74 122.37 2kz5 s LYS 85 Ca -0.02 1.74 -0.28 0.00 0.02 0.00 0.00 55.97 57.43 2kz5 s LYS 85 Cb -0.04 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2kz5 s LYS 85 CO 0.03 -0.63 2.02 -0.51 -0.92 0.00 0.00 175.35 175.33 2kz5 s LEU 86 N 3.07 3.44 0.02 3.17 2.01 -1.26 -4.91 118.68 124.21 2kz5 s LEU 86 Ca 0.58 1.26 -0.31 0.00 0.01 0.00 0.00 54.13 55.67 2kz5 s LEU 86 Cb -0.24 -3.19 -0.09 0.00 0.01 0.00 0.00 46.19 42.67 2kz5 s LEU 86 CO 0.19 -2.07 1.97 -1.84 1.01 0.00 0.00 176.35 175.61 2kz5 n GLU 87 N 8.73 2.77 -2.83 1.70 0.00 -1.26 -4.92 120.64 124.83 2kz5 n GLU 87 Ca 0.27 1.01 -0.43 0.00 0.00 0.00 0.00 57.16 58.01 2kz5 n GLU 87 Cb 0.48 -2.96 -0.03 0.00 0.00 0.00 0.00 31.44 28.93 2kz5 n GLU 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2kz5 s THR 88 N 4.46 4.47 -0.02 3.84 2.01 -1.26 -4.89 115.64 124.24 2kz5 s THR 88 Ca 0.90 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 2kz5 s THR 88 Cb -0.47 -4.83 -0.09 0.00 0.01 0.00 0.00 72.50 67.12 2kz5 s THR 88 CO 0.44 -1.61 0.70 0.40 -0.69 0.00 0.00 174.62 173.86 2kz5 h ILE 89 N 6.08 0.00 -3.43 1.82 2.04 -2.04 -3.44 117.51 118.54 2kz5 h ILE 89 Ca 0.10 -0.45 -0.54 0.00 1.00 0.00 0.00 64.86 64.96 2kz5 h ILE 89 Cb 1.03 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2kz5 h ILE 89 CO 1.19 0.00 0.01 0.68 0.00 0.00 0.00 178.15 180.04 2kz5 s VAL 90 N -3.41 4.71 -2.00 1.67 -7.23 -1.26 -5.36 120.40 107.52 2kz5 s VAL 90 Ca -0.08 1.08 0.26 0.00 -1.81 0.00 0.00 61.98 61.43 2kz5 s VAL 90 Cb 0.01 -3.81 0.75 0.00 0.56 0.00 0.00 36.38 33.89 2kz5 s VAL 90 CO 0.24 0.26 1.92 0.00 -0.31 0.00 0.00 175.10 177.21