#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 1.50 -0.19 -5.12 0.00 -1.26 -5.02 107.32 97.23 2kz5 s GLY 2 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2kz5 s GLY 2 CO 0.00 1.99 -0.15 -2.38 0.00 0.00 0.00 173.10 172.56 2kz5 s HIS 3 N 3.66 2.69 0.00 1.90 0.00 -1.26 -4.67 115.29 117.61 2kz5 s HIS 3 Ca 0.36 -1.69 0.00 0.00 -3.00 0.00 0.00 55.06 50.73 2kz5 s HIS 3 Cb -0.11 -1.81 0.00 0.00 -4.00 0.00 0.00 32.58 26.66 2kz5 s HIS 3 CO 0.25 -0.79 0.00 0.72 -1.00 0.00 0.00 174.74 173.93 2kz5 n HIS 4 N 4.62 0.00 -2.82 0.38 -0.00 -1.26 -4.96 115.22 111.19 2kz5 n HIS 4 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.12 2kz5 n HIS 4 Cb 0.48 -1.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.30 2kz5 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kz5 s HIS 5 N -1.76 3.09 0.22 4.41 5.65 -1.26 -5.00 115.29 120.64 2kz5 s HIS 5 Ca 0.00 0.77 -0.14 0.00 0.25 0.00 0.00 55.06 55.94 2kz5 s HIS 5 Cb 0.00 -3.61 0.01 0.00 -1.18 0.00 0.00 32.58 27.80 2kz5 s HIS 5 CO 0.00 -0.81 0.49 -3.38 -0.65 0.00 0.00 174.74 170.39 2kz5 s HIS 6 N 3.43 0.18 0.16 3.88 0.00 -1.26 -5.05 115.29 116.63 2kz5 s HIS 6 Ca 0.38 -0.55 -0.30 0.00 -3.00 0.00 0.00 55.06 51.59 2kz5 s HIS 6 Cb -0.12 0.26 -0.07 0.00 -4.00 0.00 0.00 32.58 28.65 2kz5 s HIS 6 CO 0.18 -0.96 1.10 -1.01 -1.00 0.00 0.00 174.74 173.05 2kz5 s HIS 7 N -3.96 3.60 -0.03 0.38 4.02 -1.26 -5.05 115.29 112.99 2kz5 s HIS 7 Ca 0.17 1.59 -0.01 0.00 1.02 0.00 0.00 55.06 57.83 2kz5 s HIS 7 Cb -0.01 -3.27 0.02 0.00 -1.02 0.00 0.00 32.58 28.30 2kz5 s HIS 7 CO 0.04 -0.60 0.06 -3.38 1.02 0.00 0.00 174.74 171.88 2kz5 s HIS 8 N -0.08 -0.04 0.35 1.40 0.00 -1.26 -5.16 115.29 110.50 2kz5 s HIS 8 Ca 0.50 0.18 -0.05 0.00 -3.00 0.00 0.00 55.06 52.69 2kz5 s HIS 8 Cb -0.29 -0.10 0.01 0.00 -4.00 0.00 0.00 32.58 28.21 2kz5 s HIS 8 CO 0.34 -0.07 0.54 -1.12 -1.00 0.00 0.00 174.74 173.42 2kz5 s SER 9 N 0.63 0.71 -0.10 7.38 0.01 -1.26 -5.17 113.70 115.91 2kz5 s SER 9 Ca -0.05 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 55.84 2kz5 s SER 9 Cb -0.07 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2kz5 s SER 9 CO -0.02 -1.37 -0.23 -1.00 0.41 0.00 0.00 173.24 171.02 2kz5 s HIS 10 N -2.93 2.49 0.20 2.43 0.09 -1.26 -5.13 115.29 111.18 2kz5 s HIS 10 Ca 0.27 -1.03 -0.14 0.00 -0.00 0.00 0.00 55.06 54.17 2kz5 s HIS 10 Cb -0.01 -1.67 0.01 0.00 -0.00 0.00 0.00 32.58 30.91 2kz5 s HIS 10 CO 0.18 -0.42 0.45 0.00 -0.00 0.00 0.00 174.74 174.95 2kz5 s MET 11 N 0.38 1.37 0.09 1.40 0.00 -1.26 -5.19 119.30 116.09 2kz5 s MET 11 Ca -0.18 -1.06 -0.21 0.00 0.00 0.00 0.00 55.69 54.24 2kz5 s MET 11 Cb -0.18 0.47 0.05 0.00 0.00 0.00 0.00 34.83 35.17 2kz5 s MET 11 CO 0.08 -0.56 0.52 0.00 0.00 0.00 0.00 175.02 175.06 2kz5 s ALA 12 N -3.94 -1.33 0.08 3.16 0.00 -1.26 -5.17 121.76 113.31 2kz5 s ALA 12 Ca 0.15 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 2kz5 s ALA 12 Cb 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 2kz5 s ALA 12 CO 0.01 -0.60 0.48 0.15 0.00 0.00 0.00 175.76 175.80 2kz5 s LYS 13 N -3.06 3.95 -0.40 0.00 1.02 -1.26 -5.05 119.74 114.94 2kz5 s LYS 13 Ca -0.02 0.44 -0.28 0.00 0.02 0.00 0.00 55.97 56.12 2kz5 s LYS 13 Cb -0.00 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2kz5 s LYS 13 CO -0.07 0.58 1.58 -1.25 -0.92 0.00 0.00 175.35 175.27 2kz5 s PRO 14 N -1.59 3.41 0.46 -1.68 0.04 -1.26 -5.01 135.00 129.37 2kz5 s PRO 14 Ca 0.32 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2kz5 s PRO 14 Cb -0.16 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 2kz5 s PRO 14 CO 0.17 -1.77 0.28 -0.08 0.04 0.00 0.00 177.00 175.65 2kz5 s THR 15 N 6.22 2.12 0.31 1.26 -1.32 -1.26 -5.16 115.64 117.81 2kz5 s THR 15 Ca 0.68 -1.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2kz5 s THR 15 Cb -0.17 -2.69 -0.01 0.00 -1.51 0.00 0.00 72.50 68.12 2kz5 s THR 15 CO 0.32 0.00 0.38 0.00 -2.21 0.00 0.00 174.62 173.11 2kz5 s ALA 16 N -2.64 1.01 0.37 11.08 0.00 -1.26 -5.15 121.76 125.17 2kz5 s ALA 16 Ca 0.39 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 50.45 2kz5 s ALA 16 Cb 0.00 1.26 -0.10 0.00 0.00 0.00 0.00 23.12 24.29 2kz5 s ALA 16 CO 0.22 -0.74 1.33 1.03 0.00 0.00 0.00 175.76 177.60 2kz5 s ARG 17 N -3.38 4.14 -0.49 0.00 1.81 -1.26 -5.01 118.95 114.76 2kz5 s ARG 17 Ca 0.33 2.24 0.04 0.00 -1.72 0.00 0.00 55.73 56.63 2kz5 s ARG 17 Cb 0.01 -2.91 0.17 0.00 -0.45 0.00 0.00 34.95 31.76 2kz5 s ARG 17 CO 0.20 -0.38 0.37 0.20 -0.68 0.00 0.00 175.30 175.01 2kz5 s GLY 18 N -0.55 1.71 0.00 -3.53 0.00 -1.26 -5.13 107.32 98.57 2kz5 s GLY 18 Ca 0.53 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.42 2kz5 s GLY 18 CO 0.53 1.78 0.00 -1.84 0.00 0.00 0.00 173.10 173.57 2kz5 n GLU 19 N 2.71 0.18 -4.06 2.90 0.28 -1.26 -5.13 120.64 116.26 2kz5 n GLU 19 Ca 0.24 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 2kz5 n GLU 19 Cb 0.43 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.22 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kz5 s ALA 20 N -3.74 0.31 0.00 -1.84 0.00 -1.26 -4.97 121.76 110.27 2kz5 s ALA 20 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2kz5 s ALA 20 Cb 0.00 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.24 2kz5 s ALA 20 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2kz5 n GLY 21 N -0.30 -1.49 3.73 0.00 0.00 -1.26 -5.08 105.19 100.79 2kz5 n GLY 21 Ca -0.02 0.64 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.00 7.39 0.50 1.61 0.01 -1.26 -4.95 113.70 113.00 2kz5 s SER 22 Ca 0.00 1.89 0.16 0.00 1.31 0.00 0.00 55.95 59.30 2kz5 s SER 22 Cb 0.00 -2.59 1.20 0.00 0.21 0.00 0.00 66.02 64.84 2kz5 s SER 22 CO 0.00 -0.16 2.10 0.08 0.41 0.00 0.00 173.24 175.67 2kz5 h ARG 23 N 5.63 0.12 0.04 12.44 0.11 -2.00 0.16 114.38 130.88 2kz5 h ARG 23 Ca -0.43 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kz5 h ARG 23 Cb 1.21 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2kz5 h ARG 23 CO 0.73 0.08 -0.02 0.38 0.10 0.00 0.00 179.97 181.24 2kz5 h ASP 24 N 0.12 -0.05 -0.96 0.08 3.04 -2.00 -2.16 116.42 114.48 2kz5 h ASP 24 Ca 0.08 -0.23 0.11 0.00 -3.24 0.00 0.00 57.03 53.76 2kz5 h ASP 24 Cb 0.17 0.01 -0.08 0.00 -1.04 0.00 0.00 39.33 38.40 2kz5 h ASP 24 CO -0.01 0.20 0.61 -0.33 -2.04 0.00 0.00 179.24 177.67 2kz5 h GLU 25 N -0.30 0.92 -0.99 4.15 4.39 -1.56 -1.58 114.58 119.61 2kz5 h GLU 25 Ca -0.01 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kz5 h GLU 25 Cb 0.27 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2kz5 h GLU 25 CO 0.01 0.61 0.65 -0.09 -1.16 0.00 0.00 179.01 179.02 2kz5 h ARG 26 N 0.94 1.31 -0.39 2.33 1.12 -0.57 -1.14 114.38 117.97 2kz5 h ARG 26 Ca 0.47 -0.08 0.03 0.00 -1.11 0.00 0.00 59.98 59.28 2kz5 h ARG 26 Cb 0.48 -0.29 -0.03 0.00 -0.01 0.00 0.00 29.97 30.12 2kz5 h ARG 26 CO -0.23 0.87 0.20 0.00 -3.11 0.00 0.00 179.97 177.70 2kz5 h ARG 27 N 1.34 0.39 0.24 0.20 3.08 -0.64 -1.02 114.38 117.97 2kz5 h ARG 27 Ca 0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2kz5 h ARG 27 Cb -0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2kz5 h ARG 27 CO -0.08 0.26 -0.22 0.00 -1.07 0.00 0.00 179.97 178.86 2kz5 h ALA 28 N 1.20 -0.46 0.00 0.04 0.00 -0.66 -0.97 119.26 118.41 2kz5 h ALA 28 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kz5 h ALA 28 Cb 0.07 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kz5 h ALA 28 CO -0.11 -0.79 -0.35 1.37 0.00 0.00 0.00 179.25 179.37 2kz5 h LEU 29 N -0.48 0.00 -0.41 0.00 8.10 -1.25 0.34 115.31 121.61 2kz5 h LEU 29 Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.81 2kz5 h LEU 29 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2kz5 h LEU 29 CO -0.04 0.35 -0.58 0.00 -4.11 0.00 0.00 178.44 174.06 2kz5 h ALA 30 N 1.65 0.58 -0.47 0.17 0.00 -0.85 -3.13 119.26 117.21 2kz5 h ALA 30 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kz5 h ALA 30 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kz5 h ALA 30 CO 0.05 0.69 0.00 -1.33 0.00 0.00 0.00 179.25 178.66 2kz5 n MET 31 N -3.96 2.55 -3.08 0.00 2.81 -0.40 -5.01 117.12 110.02 2kz5 n MET 31 Ca -0.04 -2.36 -0.08 0.00 -1.81 0.00 0.00 57.70 53.41 2kz5 n MET 31 Cb 0.63 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.62 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 1.52 -1.79 -3.67 0.03 5.02 0.17 -5.01 118.16 114.42 2kz5 n LYS 32 Ca 0.21 1.66 -0.38 0.00 -2.02 0.00 0.00 58.31 57.78 2kz5 n LYS 32 Cb 0.61 -5.12 -0.12 0.00 -0.02 0.00 0.00 35.03 30.37 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 -2.73 4.69 -0.50 -0.18 -1.09 0.95 -5.00 121.20 117.33 2kz5 s ILE 33 Ca 0.12 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2kz5 s ILE 33 Cb -0.03 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2kz5 s ILE 33 CO 0.78 0.20 0.62 -0.81 -1.23 0.00 0.00 174.94 174.50 2kz5 n PRO 34 N 4.98 0.82 -3.63 2.79 -0.04 -1.26 -4.72 135.00 133.94 2kz5 n PRO 34 Ca -0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 2kz5 n PRO 34 Cb 0.51 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.42 -0.63 0.67 0.54 -0.71 -1.26 -5.12 117.98 111.05 2kz5 s PHE 35 Ca 0.00 1.40 -0.14 0.00 -1.04 0.00 0.00 56.93 57.15 2kz5 s PHE 35 Cb 0.00 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 2kz5 s PHE 35 CO 0.00 -0.41 1.10 -1.25 -1.34 0.00 0.00 175.22 173.32 2kz5 s PRO 36 N -0.22 2.80 0.19 1.99 0.04 -1.26 -4.93 135.00 133.60 2kz5 s PRO 36 Ca -0.04 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 2kz5 s PRO 36 Cb -0.03 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.65 2kz5 s PRO 36 CO 0.04 -1.24 1.73 1.79 0.04 0.00 0.00 177.00 179.36 2kz5 h THR 37 N -0.13 1.25 -0.92 1.26 1.35 -1.96 -2.41 112.91 111.35 2kz5 h THR 37 Ca -0.46 -0.81 0.20 0.00 -0.55 0.00 0.00 66.41 64.78 2kz5 h THR 37 Cb 1.24 0.52 -0.11 0.00 -1.73 0.00 0.00 68.15 68.07 2kz5 h THR 37 CO 0.54 0.32 0.49 0.44 -0.25 0.00 0.00 175.52 177.06 2kz5 h ASP 38 N 0.96 0.54 -0.30 5.36 5.19 -1.99 0.05 116.42 126.23 2kz5 h ASP 38 Ca 0.22 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2kz5 h ASP 38 Cb 0.25 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2kz5 h ASP 38 CO -0.01 0.14 0.13 0.50 -3.12 0.00 0.00 179.24 176.88 2kz5 h LYS 39 N 0.57 0.44 -0.96 3.56 3.64 -1.82 0.15 116.57 122.16 2kz5 h LYS 39 Ca 0.55 -0.07 0.15 0.00 -1.27 0.00 0.00 60.65 60.01 2kz5 h LYS 39 Cb 0.93 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.59 2kz5 h LYS 39 CO -0.44 0.44 0.60 0.82 -2.27 0.00 0.00 179.45 178.60 2kz5 h ILE 40 N 0.35 0.82 0.11 2.00 2.04 -0.76 -2.84 117.51 119.22 2kz5 h ILE 40 Ca 0.10 -0.27 -0.30 0.00 1.00 0.00 0.00 64.86 65.39 2kz5 h ILE 40 Cb 0.15 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2kz5 h ILE 40 CO -0.01 0.14 -1.58 0.58 0.00 0.00 0.00 178.15 177.28 2kz5 h VAL 41 N 0.78 0.89 -0.21 1.67 2.07 -1.18 -3.39 116.25 116.89 2kz5 h VAL 41 Ca 0.50 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 2kz5 h VAL 41 Cb 0.73 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2kz5 h VAL 41 CO -0.26 0.72 0.02 0.59 0.02 0.00 0.00 177.57 178.66 2kz5 n ASN 42 N -3.84 2.71 -4.77 0.57 3.02 0.03 -4.80 115.26 108.18 2kz5 n ASN 42 Ca -0.28 -2.35 -0.36 0.00 -0.03 0.00 0.00 54.58 51.57 2kz5 n ASN 42 Cb 0.93 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.98 3.93 0.72 3.41 1.43 -1.08 -5.00 118.68 121.11 2kz5 s LEU 43 Ca 0.19 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 2kz5 s LEU 43 Cb 0.15 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.46 2kz5 s LEU 43 CO 0.05 0.39 1.19 -2.16 0.23 0.00 0.00 176.35 176.05 2kz5 s PRO 44 N -0.97 2.25 0.33 1.29 0.04 -1.26 -4.65 135.00 132.02 2kz5 s PRO 44 Ca 0.14 1.68 0.11 0.00 0.04 0.00 0.00 61.00 62.97 2kz5 s PRO 44 Cb -0.12 -1.85 0.92 0.00 0.04 0.00 0.00 34.50 33.49 2kz5 s PRO 44 CO 0.03 -1.73 1.73 -0.24 0.04 0.00 0.00 177.00 176.83 2kz5 h VAL 45 N -0.26 0.51 0.43 -0.36 3.04 -1.98 0.15 116.25 117.78 2kz5 h VAL 45 Ca -0.47 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 2kz5 h VAL 45 Cb 1.29 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2kz5 h VAL 45 CO 0.50 0.10 -0.21 0.44 -1.01 0.00 0.00 177.57 177.40 2kz5 h ASP 46 N 0.54 -0.49 0.59 3.17 3.32 -2.00 -2.22 116.42 119.33 2kz5 h ASP 46 Ca 0.65 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 2kz5 h ASP 46 Cb 1.29 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.97 2kz5 h ASP 46 CO -0.47 -0.23 -0.00 0.44 -1.72 0.00 0.00 179.24 177.26 2kz5 h ASP 47 N -0.74 0.00 -0.15 6.45 5.19 -1.61 -1.59 116.42 123.97 2kz5 h ASP 47 Ca -0.06 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 2kz5 h ASP 47 Cb 0.53 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 2kz5 h ASP 47 CO 0.10 0.00 -0.06 0.15 -3.12 0.00 0.00 179.24 176.31 2kz5 h PHE 48 N 0.00 0.35 -0.82 4.55 3.57 -0.54 0.12 116.94 124.17 2kz5 h PHE 48 Ca -0.00 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.43 2kz5 h PHE 48 Cb 0.30 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2kz5 h PHE 48 CO 0.00 0.62 0.54 -0.91 -2.23 0.00 0.00 178.31 176.32 2kz5 h ASN 49 N -0.01 0.93 -0.18 0.41 2.35 -0.77 -2.27 115.58 116.04 2kz5 h ASN 49 Ca 0.04 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2kz5 h ASN 49 Cb 0.51 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 2kz5 h ASN 49 CO 0.02 0.66 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.05 2kz5 h GLU 50 N 1.09 -0.06 -0.63 0.81 4.39 -1.22 -2.57 114.58 116.38 2kz5 h GLU 50 Ca 0.31 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.14 2kz5 h GLU 50 Cb -0.10 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.46 2kz5 h GLU 50 CO -0.08 -0.04 -0.03 1.25 -1.16 0.00 0.00 179.01 178.96 2kz5 h LEU 51 N -0.06 -0.34 -0.75 1.33 5.85 -0.21 0.34 115.31 121.48 2kz5 h LEU 51 Ca 0.10 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2kz5 h LEU 51 Cb 0.21 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2kz5 h LEU 51 CO -0.22 -0.14 0.45 -0.07 -0.34 0.00 0.00 178.44 178.12 2kz5 h LEU 52 N 0.09 0.90 -0.32 2.25 3.38 -1.27 -2.72 115.31 117.62 2kz5 h LEU 52 Ca 0.32 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2kz5 h LEU 52 Cb 0.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kz5 h LEU 52 CO -0.56 0.70 -0.85 0.00 0.09 0.00 0.00 178.44 177.82 2kz5 h ALA 53 N 1.24 0.58 0.00 1.53 0.00 -0.76 -3.30 119.26 118.54 2kz5 h ALA 53 Ca 0.27 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2kz5 h ALA 53 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kz5 h ALA 53 CO -0.05 0.95 -0.66 0.00 0.00 0.00 0.00 179.25 179.49 2kz5 h ARG 54 N 0.06 0.00 -6.05 0.00 3.08 -0.27 -3.44 114.38 107.77 2kz5 h ARG 54 Ca -0.03 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.34 2kz5 h ARG 54 Cb 1.48 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.34 2kz5 h ARG 54 CO 0.12 0.66 -0.67 0.71 -1.07 0.00 0.00 179.97 179.72 2kz5 s TYR 55 N -3.16 3.00 -0.45 3.04 1.51 -1.04 -5.07 117.35 115.19 2kz5 s TYR 55 Ca 0.01 0.05 -0.27 0.00 -1.01 0.00 0.00 57.07 55.84 2kz5 s TYR 55 Cb 0.10 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2kz5 s TYR 55 CO 0.76 0.34 1.92 -1.25 -1.11 0.00 0.00 175.55 176.21 2kz5 s PRO 56 N -0.75 2.91 0.01 -1.71 0.04 -1.26 -4.86 135.00 129.37 2kz5 s PRO 56 Ca 0.11 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2kz5 s PRO 56 Cb -0.11 -4.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.09 2kz5 s PRO 56 CO 0.02 -2.37 -0.12 -0.51 0.04 0.00 0.00 177.00 174.06 2kz5 s LEU 57 N 8.45 2.07 0.62 -3.56 1.43 -1.26 -4.93 118.68 121.49 2kz5 s LEU 57 Ca 0.78 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.53 2kz5 s LEU 57 Cb -0.19 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 2kz5 s LEU 57 CO 0.28 0.10 0.96 0.42 0.23 0.00 0.00 176.35 178.34 2kz5 s THR 58 N -0.45 3.86 0.26 5.49 -4.23 -1.26 -4.85 115.64 114.45 2kz5 s THR 58 Ca 0.03 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2kz5 s THR 58 Cb -0.05 -3.55 0.31 0.00 1.34 0.00 0.00 72.50 70.54 2kz5 s THR 58 CO 0.00 -0.63 1.62 -0.33 -0.54 0.00 0.00 174.62 174.74 2kz5 h GLU 59 N -0.29 0.08 -0.24 3.99 5.08 -2.01 0.26 114.58 121.45 2kz5 h GLU 59 Ca -0.45 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 2kz5 h GLU 59 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kz5 h GLU 59 CO 0.62 0.05 -0.10 0.77 -1.00 0.00 0.00 179.01 179.35 2kz5 h SER 60 N 0.08 0.37 -0.37 1.42 0.02 -2.00 -2.56 113.55 110.51 2kz5 h SER 60 Ca 0.44 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.20 2kz5 h SER 60 Cb 0.79 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2kz5 h SER 60 CO -0.73 0.52 -0.21 1.56 -1.14 0.00 0.00 176.83 176.83 2kz5 h GLN 61 N 0.37 0.79 -0.66 3.45 4.20 -0.87 -1.86 115.11 120.53 2kz5 h GLN 61 Ca 0.07 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2kz5 h GLN 61 Cb 0.41 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2kz5 h GLN 61 CO 0.02 0.99 0.38 -0.07 -0.67 0.00 0.00 178.83 179.48 2kz5 h LEU 62 N 0.59 0.81 -0.59 1.46 4.07 -1.16 -0.70 115.31 119.79 2kz5 h LEU 62 Ca 0.08 -0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.01 2kz5 h LEU 62 Cb 0.76 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 2kz5 h LEU 62 CO 0.06 0.65 0.33 0.00 -1.08 0.00 0.00 178.44 178.40 2kz5 h ALA 63 N 1.19 0.77 0.02 1.53 0.00 -1.37 -1.62 119.26 119.79 2kz5 h ALA 63 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kz5 h ALA 63 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kz5 h ALA 63 CO -0.04 0.02 -0.04 1.25 0.00 0.00 0.00 179.25 180.44 2kz5 h LEU 64 N 0.63 -0.10 -0.84 0.00 5.85 -0.87 -1.84 115.31 118.15 2kz5 h LEU 64 Ca 0.26 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.10 2kz5 h LEU 64 Cb 0.12 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 2kz5 h LEU 64 CO -0.15 -0.06 0.46 0.58 -0.34 0.00 0.00 178.44 178.94 2kz5 h VAL 65 N -0.08 0.84 -0.70 1.05 2.07 -0.82 0.31 116.25 118.93 2kz5 h VAL 65 Ca 0.01 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2kz5 h VAL 65 Cb 0.08 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 2kz5 h VAL 65 CO -0.02 0.13 0.41 0.03 0.02 0.00 0.00 177.57 178.14 2kz5 h ARG 66 N 0.74 0.95 -0.19 1.57 3.08 -1.09 -2.03 114.38 117.42 2kz5 h ARG 66 Ca 0.42 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 2kz5 h ARG 66 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2kz5 h ARG 66 CO -0.29 0.69 -0.44 0.22 -1.07 0.00 0.00 179.97 179.08 2kz5 h ASP 67 N 0.95 0.50 -0.53 7.04 3.58 -0.25 -1.50 116.42 126.20 2kz5 h ASP 67 Ca 0.25 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2kz5 h ASP 67 Cb -0.01 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2kz5 h ASP 67 CO -0.04 0.87 0.24 0.40 -2.88 0.00 0.00 179.24 177.83 2kz5 h ILE 68 N 0.38 1.21 -0.55 2.25 2.04 -0.19 0.78 117.51 123.43 2kz5 h ILE 68 Ca 0.03 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2kz5 h ILE 68 Cb 0.93 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2kz5 h ILE 68 CO 0.08 0.24 0.20 -0.09 0.00 0.00 0.00 178.15 178.58 2kz5 h ARG 69 N 0.71 0.83 -0.83 2.37 2.43 -1.29 0.18 114.38 118.78 2kz5 h ARG 69 Ca 0.18 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2kz5 h ARG 69 Cb 0.15 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2kz5 h ARG 69 CO -0.02 0.74 0.50 -0.09 -1.51 0.00 0.00 179.97 179.59 2kz5 h ARG 70 N 0.75 0.89 -0.03 0.20 2.43 -0.82 0.26 114.38 118.06 2kz5 h ARG 70 Ca 0.18 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2kz5 h ARG 70 Cb 0.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kz5 h ARG 70 CO -0.01 0.59 -0.14 0.00 -1.51 0.00 0.00 179.97 178.89 2kz5 h ARG 71 N 0.91 0.15 -0.49 0.20 2.47 -0.70 -3.23 114.38 113.70 2kz5 h ARG 71 Ca 0.37 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2kz5 h ARG 71 Cb 0.19 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2kz5 h ARG 71 CO -0.18 0.78 0.24 0.78 0.56 0.00 0.00 179.97 182.14 2kz5 h GLY 72 N -0.43 0.72 1.46 0.04 0.00 -0.39 0.17 103.07 104.64 2kz5 h GLY 72 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2kz5 h GLY 72 CO 0.03 0.31 0.17 1.70 0.00 0.00 0.00 176.54 178.75 2kz5 h LYS 73 N 0.68 0.69 0.01 4.80 1.63 -0.59 -0.10 116.57 123.70 2kz5 h LYS 73 Ca 0.17 -0.11 -0.20 0.00 -0.85 0.00 0.00 60.65 59.66 2kz5 h LYS 73 Cb 0.06 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2kz5 h LYS 73 CO -0.02 0.59 -0.92 -0.97 -3.45 0.00 0.00 179.45 174.68 2kz5 h ASN 74 N 0.68 0.18 0.61 4.20 -1.24 -1.36 -2.42 115.58 116.23 2kz5 h ASN 74 Ca 0.16 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 2kz5 h ASN 74 Cb 0.17 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.17 2kz5 h ASN 74 CO -0.01 1.00 -0.29 0.50 -1.29 0.00 0.00 177.43 177.34 2kz5 h LYS 75 N 0.07 -0.79 0.00 6.67 3.64 -0.14 -3.13 116.57 122.89 2kz5 h LYS 75 Ca -0.04 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2kz5 h LYS 75 Cb 1.58 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2kz5 h LYS 75 CO 0.13 -0.52 -0.10 -0.24 -2.27 0.00 0.00 179.45 176.45 2kz5 h VAL 76 N -0.84 0.77 -0.27 2.00 3.04 -1.18 -1.96 116.25 117.80 2kz5 h VAL 76 Ca -0.08 -0.40 0.08 0.00 -1.01 0.00 0.00 66.70 65.28 2kz5 h VAL 76 Cb 0.63 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 2kz5 h VAL 76 CO 0.14 0.10 0.29 0.00 -1.01 0.00 0.00 177.57 177.09 2kz5 h ALA 77 N 1.90 1.94 -0.73 3.17 0.00 -1.38 -1.82 119.26 122.35 2kz5 h ALA 77 Ca -0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2kz5 h ALA 77 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2kz5 h ALA 77 CO 0.01 -0.43 0.52 0.00 0.00 0.00 0.00 179.25 179.36 2kz5 h ALA 78 N 1.68 2.66 -0.01 0.00 0.00 -1.36 1.06 119.26 123.28 2kz5 h ALA 78 Ca 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2kz5 h ALA 78 Cb 0.71 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kz5 h ALA 78 CO -0.00 -0.87 -0.59 1.96 0.00 0.00 0.00 179.25 179.75 2kz5 h GLN 79 N 0.02 0.03 0.00 0.00 1.08 -1.56 -3.31 115.11 111.38 2kz5 h GLN 79 Ca 0.35 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2kz5 h GLN 79 Cb 1.36 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2kz5 h GLN 79 CO -0.01 0.61 -0.17 0.27 -0.95 0.00 0.00 178.83 178.58 2kz5 n ASN 80 N -3.85 1.58 -4.68 1.46 6.94 0.44 -5.06 115.26 112.09 2kz5 n ASN 80 Ca -0.01 -2.74 -0.42 0.00 -0.02 0.00 0.00 54.58 51.38 2kz5 n ASN 80 Cb 0.59 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2kz5 s TYR 81 N -1.94 2.97 0.45 -2.53 5.04 0.34 -4.99 117.35 116.69 2kz5 s TYR 81 Ca 0.22 0.99 -0.24 0.00 -2.44 0.00 0.00 57.07 55.60 2kz5 s TYR 81 Cb 0.19 -3.55 -0.07 0.00 0.35 0.00 0.00 41.96 38.88 2kz5 s TYR 81 CO 0.02 -1.92 1.28 1.03 -1.34 0.00 0.00 175.55 174.62 2kz5 s ARG 82 N 2.48 3.73 -0.42 4.97 0.52 -1.26 -4.91 118.95 124.06 2kz5 s ARG 82 Ca 0.60 2.08 -0.28 0.00 -0.52 0.00 0.00 55.73 57.61 2kz5 s ARG 82 Cb -0.27 -2.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 2kz5 s ARG 82 CO 0.23 -0.67 1.63 0.15 0.02 0.00 0.00 175.30 176.66 2kz5 s LYS 83 N -2.51 3.33 -1.36 3.54 1.02 -1.26 -4.91 119.74 117.58 2kz5 s LYS 83 Ca 0.62 1.05 -0.11 0.00 0.02 0.00 0.00 55.97 57.56 2kz5 s LYS 83 Cb -0.36 -4.15 0.11 0.00 -0.52 0.00 0.00 37.83 32.90 2kz5 s LYS 83 CO 0.45 -1.87 2.09 2.89 -0.92 0.00 0.00 175.35 177.99 2kz5 n ARG 84 N 8.42 3.43 -3.28 1.68 -4.01 -1.26 -4.85 116.66 116.80 2kz5 n ARG 84 Ca 0.19 -3.14 -0.04 0.00 -1.04 0.00 0.00 57.85 53.83 2kz5 n ARG 84 Cb 0.48 -3.02 -0.05 0.00 -3.04 0.00 0.00 32.46 26.83 2kz5 n ARG 84 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2kz5 s LYS 85 N 1.32 0.44 0.57 2.89 2.47 -1.26 -5.17 119.74 121.00 2kz5 s LYS 85 Ca 0.45 0.74 0.01 0.00 -1.56 0.00 0.00 55.97 55.60 2kz5 s LYS 85 Cb 0.12 -0.05 0.04 0.00 -1.46 0.00 0.00 37.83 36.48 2kz5 s LYS 85 CO -0.04 -0.63 0.80 -0.48 0.16 0.00 0.00 175.35 175.17 2kz5 s LEU 86 N 2.67 3.22 -0.67 5.43 2.34 -1.26 -4.99 118.68 125.42 2kz5 s LEU 86 Ca 0.16 -0.03 -0.26 0.00 0.06 0.00 0.00 54.13 54.06 2kz5 s LEU 86 Cb -0.15 -2.80 -0.06 0.00 -0.56 0.00 0.00 46.19 42.62 2kz5 s LEU 86 CO -0.18 -1.23 2.16 -0.70 -1.06 0.00 0.00 176.35 175.34 2kz5 s GLU 87 N -4.81 2.24 -0.91 1.48 2.12 -1.26 -4.90 118.70 112.65 2kz5 s GLU 87 Ca 0.58 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 2kz5 s GLU 87 Cb -0.10 -4.66 0.01 0.00 0.26 0.00 0.00 34.13 29.64 2kz5 s GLU 87 CO 0.39 -3.39 1.62 0.95 -0.54 0.00 0.00 175.26 174.29 2kz5 s THR 88 N 11.42 3.70 -0.44 -1.70 -4.23 -1.26 -4.94 115.64 118.20 2kz5 s THR 88 Ca 0.82 -0.41 -0.27 0.00 -1.18 0.00 0.00 61.69 60.65 2kz5 s THR 88 Cb -0.13 -4.62 -0.07 0.00 1.34 0.00 0.00 72.50 69.02 2kz5 s THR 88 CO 0.15 -1.53 2.37 2.30 -0.54 0.00 0.00 174.62 177.37 2kz5 n ILE 89 N 7.16 0.04 -2.98 2.99 -5.35 -1.26 -4.94 119.36 115.03 2kz5 n ILE 89 Ca 0.30 -0.65 -0.40 0.00 -0.27 0.00 0.00 62.75 61.73 2kz5 n ILE 89 Cb 0.50 -2.57 -0.04 0.00 -1.74 0.00 0.00 39.64 35.78 2kz5 n ILE 89 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2kz5 s VAL 90 N 10.81 4.97 -1.91 7.28 0.11 -1.26 -5.32 120.40 135.08 2kz5 s VAL 90 Ca 1.01 1.52 0.15 0.00 -2.93 0.00 0.00 61.98 61.74 2kz5 s VAL 90 Cb -0.31 -4.08 0.12 0.00 -1.53 0.00 0.00 36.38 30.58 2kz5 s VAL 90 CO 0.31 0.15 0.98 1.67 -3.33 0.00 0.00 175.10 174.88