#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 5.29 3.56 3.03 0.00 -1.26 -5.00 105.19 110.80 2kz5 n GLY 2 Ca 0.00 -2.76 -0.38 0.00 0.00 0.00 0.00 46.02 42.88 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 -3.10 2.26 -0.04 1.61 5.65 -1.26 -4.98 115.29 115.43 2kz5 s HIS 3 Ca 0.46 -0.23 -0.08 0.00 0.25 0.00 0.00 55.06 55.46 2kz5 s HIS 3 Cb 0.24 -4.50 -0.05 0.00 -1.18 0.00 0.00 32.58 27.09 2kz5 s HIS 3 CO -0.09 -1.97 0.24 -1.58 -0.65 0.00 0.00 174.74 170.68 2kz5 s HIS 4 N 6.50 3.60 0.09 3.88 5.65 -1.26 -5.10 115.29 128.66 2kz5 s HIS 4 Ca 0.50 0.60 -0.15 0.00 0.25 0.00 0.00 55.06 56.26 2kz5 s HIS 4 Cb -0.04 -2.00 0.03 0.00 -1.18 0.00 0.00 32.58 29.39 2kz5 s HIS 4 CO 0.00 0.66 0.36 -3.38 -0.65 0.00 0.00 174.74 171.74 2kz5 s HIS 5 N -1.18 -0.16 -0.29 3.88 0.00 -1.26 -5.17 115.29 111.11 2kz5 s HIS 5 Ca 0.23 -0.09 -0.16 0.00 -3.00 0.00 0.00 55.06 52.03 2kz5 s HIS 5 Cb -0.13 0.19 0.16 0.00 -4.00 0.00 0.00 32.58 28.80 2kz5 s HIS 5 CO 0.12 -0.63 1.07 -1.58 -1.00 0.00 0.00 174.74 172.72 2kz5 s HIS 6 N -3.38 -0.41 0.06 0.38 5.65 -1.26 -5.16 115.29 111.16 2kz5 s HIS 6 Ca 0.01 0.83 -0.26 0.00 0.25 0.00 0.00 55.06 55.89 2kz5 s HIS 6 Cb 0.01 0.26 -0.06 0.00 -1.18 0.00 0.00 32.58 31.62 2kz5 s HIS 6 CO -0.09 -0.20 0.79 -3.38 -0.65 0.00 0.00 174.74 171.21 2kz5 s HIS 7 N 1.20 3.75 -0.23 3.88 -0.00 -1.26 -5.06 115.29 117.57 2kz5 s HIS 7 Ca -0.08 1.52 0.02 0.00 -0.00 0.00 0.00 55.06 56.52 2kz5 s HIS 7 Cb -0.03 -2.85 0.05 0.00 -0.00 0.00 0.00 32.58 29.74 2kz5 s HIS 7 CO -0.13 0.27 -0.13 -1.58 -0.00 0.00 0.00 174.74 173.17 2kz5 s HIS 8 N -0.06 2.93 0.23 0.38 5.65 -1.26 -5.12 115.29 118.04 2kz5 s HIS 8 Ca 0.40 -1.98 -0.17 0.00 0.25 0.00 0.00 55.06 53.56 2kz5 s HIS 8 Cb -0.21 -1.85 0.02 0.00 -1.18 0.00 0.00 32.58 29.36 2kz5 s HIS 8 CO 0.24 -0.83 0.55 0.45 -0.65 0.00 0.00 174.74 174.50 2kz5 s SER 9 N 1.22 -0.22 0.17 9.88 0.15 -1.26 -5.19 113.70 118.45 2kz5 s SER 9 Ca -0.04 -0.62 -0.04 0.00 0.70 0.00 0.00 55.95 55.95 2kz5 s SER 9 Cb -0.17 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2kz5 s SER 9 CO -0.08 -1.14 0.17 -1.00 1.20 0.00 0.00 173.24 172.40 2kz5 s HIS 10 N -3.92 0.76 0.36 3.44 4.02 -1.26 -5.17 115.29 113.52 2kz5 s HIS 10 Ca 0.13 -1.09 -0.12 0.00 1.02 0.00 0.00 55.06 54.99 2kz5 s HIS 10 Cb -0.02 -0.32 -0.08 0.00 -1.02 0.00 0.00 32.58 31.14 2kz5 s HIS 10 CO 0.02 -0.65 0.74 -1.64 1.02 0.00 0.00 174.74 174.23 2kz5 s MET 11 N -4.05 3.88 0.02 1.40 1.00 -1.26 -5.08 119.30 115.21 2kz5 s MET 11 Ca 0.26 0.54 -0.09 0.00 0.00 0.00 0.00 55.69 56.40 2kz5 s MET 11 Cb 0.05 -2.43 -0.05 0.00 0.00 0.00 0.00 34.83 32.41 2kz5 s MET 11 CO 0.04 0.07 0.33 0.00 0.00 0.00 0.00 175.02 175.47 2kz5 s ALA 12 N -2.16 3.78 -0.00 3.03 0.00 -1.26 -5.11 121.76 120.04 2kz5 s ALA 12 Ca 0.52 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.07 2kz5 s ALA 12 Cb -0.10 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2kz5 s ALA 12 CO 0.24 0.59 -0.14 0.15 0.00 0.00 0.00 175.76 176.60 2kz5 s LYS 13 N -1.64 1.09 1.04 0.00 -0.14 -1.26 -5.16 119.74 113.67 2kz5 s LYS 13 Ca 0.28 -0.54 -0.18 0.00 -1.36 0.00 0.00 55.97 54.17 2kz5 s LYS 13 Cb -0.14 -1.06 0.24 0.00 -1.68 0.00 0.00 37.83 35.19 2kz5 s LYS 13 CO 0.15 0.29 1.31 -0.35 -0.76 0.00 0.00 175.35 175.99 2kz5 n PRO 14 N 2.60 -1.66 -3.72 -1.68 -0.04 -1.26 -5.12 135.00 124.12 2kz5 n PRO 14 Ca -0.15 -2.04 -0.12 0.00 -0.04 0.00 0.00 63.50 61.15 2kz5 n PRO 14 Cb 0.55 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 2kz5 n PRO 14 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kz5 s THR 15 N -3.80 -0.01 -0.32 0.52 2.01 -1.26 -5.14 115.64 107.65 2kz5 s THR 15 Ca 0.76 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 2kz5 s THR 15 Cb -0.03 -0.57 0.11 0.00 0.01 0.00 0.00 72.50 72.03 2kz5 s THR 15 CO 0.54 0.02 0.15 0.00 -0.69 0.00 0.00 174.62 174.64 2kz5 s ALA 16 N 0.73 0.95 -0.84 7.40 0.00 -1.26 -5.07 121.76 123.67 2kz5 s ALA 16 Ca -0.04 -1.49 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 2kz5 s ALA 16 Cb -0.05 -1.52 0.22 0.00 0.00 0.00 0.00 23.12 21.77 2kz5 s ALA 16 CO -0.05 -1.80 0.77 0.50 0.00 0.00 0.00 175.76 175.18 2kz5 s ARG 17 N 1.63 3.54 -1.28 0.00 6.06 -1.26 -5.00 118.95 122.64 2kz5 s ARG 17 Ca 0.12 -2.58 -0.16 0.00 -2.50 0.00 0.00 55.73 50.60 2kz5 s ARG 17 Cb -0.19 -4.35 0.10 0.00 0.06 0.00 0.00 34.95 30.58 2kz5 s ARG 17 CO -0.22 -1.27 1.68 0.41 -2.50 0.00 0.00 175.30 173.40 2kz5 n GLY 18 N 3.72 2.97 3.55 8.12 0.00 -1.26 -4.95 105.19 117.34 2kz5 n GLY 18 Ca 0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 3.30 3.29 0.03 1.61 0.41 -1.26 -5.01 118.70 121.07 2kz5 s GLU 19 Ca 0.50 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 2kz5 s GLU 19 Cb 0.03 -4.12 -0.04 0.00 -1.78 0.00 0.00 34.13 28.21 2kz5 s GLU 19 CO 0.05 -1.92 0.12 0.00 -0.49 0.00 0.00 175.26 173.01 2kz5 s ALA 20 N 5.20 3.70 -0.07 5.21 0.00 -1.26 -5.02 121.76 129.51 2kz5 s ALA 20 Ca 0.36 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2kz5 s ALA 20 Cb -0.09 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 2kz5 s ALA 20 CO 0.18 0.74 -0.03 0.41 0.00 0.00 0.00 175.76 177.06 2kz5 n GLY 21 N 0.77 -0.19 3.99 0.00 0.00 -1.26 -5.03 105.19 103.48 2kz5 n GLY 21 Ca -0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2kz5 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kz5 s SER 22 N -4.39 5.78 0.23 1.61 1.04 -1.26 -5.03 113.70 111.68 2kz5 s SER 22 Ca -0.08 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2kz5 s SER 22 Cb 0.02 -1.01 0.23 0.00 0.10 0.00 0.00 66.02 65.37 2kz5 s SER 22 CO 0.21 -0.65 1.58 0.03 0.98 0.00 0.00 173.24 175.39 2kz5 h ARG 23 N 0.68 0.43 -0.57 4.02 3.08 -2.00 -2.92 114.38 117.10 2kz5 h ARG 23 Ca -0.43 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 59.42 2kz5 h ARG 23 Cb 1.27 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 2kz5 h ARG 23 CO 0.50 0.83 0.29 -0.44 -1.07 0.00 0.00 179.97 180.08 2kz5 h ASP 24 N 0.34 0.41 -0.47 7.04 5.19 -2.00 -1.08 116.42 125.85 2kz5 h ASP 24 Ca 0.02 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2kz5 h ASP 24 Cb 0.99 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 2kz5 h ASP 24 CO 0.09 0.28 0.22 -0.33 -3.12 0.00 0.00 179.24 176.37 2kz5 h GLU 25 N 0.55 0.74 -0.87 3.56 5.08 -1.95 -1.04 114.58 120.65 2kz5 h GLU 25 Ca 0.25 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2kz5 h GLU 25 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2kz5 h GLU 25 CO -0.18 0.60 0.46 0.00 -1.00 0.00 0.00 179.01 178.89 2kz5 h ARG 26 N 0.73 1.22 -0.38 2.33 2.47 -1.03 0.65 114.38 120.38 2kz5 h ARG 26 Ca 0.18 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 2kz5 h ARG 26 Cb 0.13 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 2kz5 h ARG 26 CO -0.02 0.90 0.03 0.00 0.56 0.00 0.00 179.97 181.44 2kz5 h ARG 27 N 1.22 0.65 0.40 0.04 -0.00 -1.03 -2.92 114.38 112.74 2kz5 h ARG 27 Ca 0.30 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 2kz5 h ARG 27 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 29.93 2kz5 h ARG 27 CO -0.05 0.73 -0.41 0.00 0.00 0.00 0.00 179.97 180.24 2kz5 h ALA 28 N 0.89 -0.90 0.00 0.04 0.00 -0.27 -0.89 119.26 118.13 2kz5 h ALA 28 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kz5 h ALA 28 Cb 0.42 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kz5 h ALA 28 CO 0.01 -1.05 -0.16 1.37 0.00 0.00 0.00 179.25 179.43 2kz5 h LEU 29 N -0.84 0.00 -0.42 0.00 8.10 -1.02 0.61 115.31 121.74 2kz5 h LEU 29 Ca -0.04 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.82 2kz5 h LEU 29 Cb 0.75 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2kz5 h LEU 29 CO -0.07 0.16 -0.25 0.00 -4.11 0.00 0.00 178.44 174.17 2kz5 h ALA 30 N 1.84 0.60 0.00 0.17 0.00 -1.26 -2.91 119.26 117.70 2kz5 h ALA 30 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kz5 h ALA 30 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kz5 h ALA 30 CO 0.02 0.60 -0.36 -1.33 0.00 0.00 0.00 179.25 178.18 2kz5 n MET 31 N -4.15 0.04 -1.81 0.00 2.81 -0.37 -4.99 117.12 108.64 2kz5 n MET 31 Ca -0.01 0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 2kz5 n MET 31 Cb 0.47 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.58 -0.35 -3.36 0.03 5.02 0.19 -4.94 118.16 113.17 2kz5 n LYS 32 Ca 0.06 0.35 -0.40 0.00 -2.02 0.00 0.00 58.31 56.30 2kz5 n LYS 32 Cb 0.35 -2.29 -0.09 0.00 -0.02 0.00 0.00 35.03 32.98 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 -3.05 5.14 -2.01 -0.18 -1.09 0.13 -4.98 121.20 115.16 2kz5 s ILE 33 Ca 0.05 0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.94 2kz5 s ILE 33 Cb -0.01 -3.79 0.15 0.00 -1.58 0.00 0.00 42.46 37.24 2kz5 s ILE 33 CO 0.14 0.02 1.18 -0.81 -1.23 0.00 0.00 174.94 174.24 2kz5 n PRO 34 N 5.43 1.10 -4.10 2.79 -0.04 -1.26 -4.71 135.00 134.22 2kz5 n PRO 34 Ca -0.08 -0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.08 2kz5 n PRO 34 Cb 0.50 -1.10 -0.11 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.95 0.83 0.64 0.54 -0.12 -1.26 -5.15 117.98 111.50 2kz5 s PHE 35 Ca 0.09 -0.50 -0.15 0.00 -0.05 0.00 0.00 56.93 56.31 2kz5 s PHE 35 Cb 0.04 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.94 2kz5 s PHE 35 CO 0.07 -0.05 1.10 -1.25 -0.05 0.00 0.00 175.22 175.04 2kz5 s PRO 36 N -1.70 2.94 0.17 1.99 0.04 -1.26 -4.98 135.00 132.19 2kz5 s PRO 36 Ca -0.07 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 2kz5 s PRO 36 Cb -0.09 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2kz5 s PRO 36 CO 0.01 -1.13 1.57 1.79 0.04 0.00 0.00 177.00 179.28 2kz5 h THR 37 N 0.16 1.27 -0.29 1.26 1.35 -1.98 -3.14 112.91 111.53 2kz5 h THR 37 Ca -0.47 -1.33 0.06 0.00 -0.55 0.00 0.00 66.41 64.13 2kz5 h THR 37 Cb 1.24 1.04 -0.06 0.00 -1.73 0.00 0.00 68.15 68.63 2kz5 h THR 37 CO 0.55 0.47 -0.12 0.44 -0.25 0.00 0.00 175.52 176.60 2kz5 h ASP 38 N 0.90 -0.42 -0.59 5.36 3.32 -1.98 -1.48 116.42 121.53 2kz5 h ASP 38 Ca 0.13 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2kz5 h ASP 38 Cb 0.74 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 2kz5 h ASP 38 CO 0.06 -0.16 0.35 0.50 -1.72 0.00 0.00 179.24 178.27 2kz5 h LYS 39 N -0.08 0.65 -0.57 3.56 3.64 -1.97 -1.59 116.57 120.22 2kz5 h LYS 39 Ca 0.15 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2kz5 h LYS 39 Cb 0.30 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 2kz5 h LYS 39 CO -0.34 0.43 -0.05 0.82 -2.27 0.00 0.00 179.45 178.04 2kz5 h ILE 40 N 0.67 0.50 -0.40 2.00 2.04 -1.25 -0.53 117.51 120.53 2kz5 h ILE 40 Ca 0.25 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.93 2kz5 h ILE 40 Cb 0.07 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2kz5 h ILE 40 CO -0.13 0.01 -0.35 0.58 0.00 0.00 0.00 178.15 178.26 2kz5 h VAL 41 N 0.07 1.27 0.00 1.67 2.07 -0.93 -3.28 116.25 117.13 2kz5 h VAL 41 Ca 0.29 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 66.15 2kz5 h VAL 41 Cb 0.46 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2kz5 h VAL 41 CO -0.52 0.51 -0.61 0.78 0.02 0.00 0.00 177.57 177.75 2kz5 h ASN 42 N 0.77 0.00 -3.05 0.57 -0.26 -0.71 -3.45 115.58 109.46 2kz5 h ASN 42 Ca 0.07 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.28 2kz5 h ASN 42 Cb 0.94 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.23 2kz5 h ASN 42 CO 0.09 0.61 0.73 -0.76 -1.06 0.00 0.00 177.43 177.04 2kz5 s LEU 43 N -6.89 4.38 0.00 1.61 1.43 -0.26 -5.03 118.68 113.91 2kz5 s LEU 43 Ca 0.01 2.36 -0.19 0.00 -1.03 0.00 0.00 54.13 55.29 2kz5 s LEU 43 Cb 0.10 -3.59 0.28 0.00 0.03 0.00 0.00 46.19 43.01 2kz5 s LEU 43 CO 0.75 -0.65 0.93 -0.81 0.23 0.00 0.00 176.35 176.80 2kz5 n PRO 44 N 3.75 -3.11 0.16 1.29 -0.04 -1.26 -4.55 135.00 131.23 2kz5 n PRO 44 Ca 0.11 -1.49 -0.15 0.00 -0.04 0.00 0.00 63.50 61.93 2kz5 n PRO 44 Cb 0.42 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2kz5 n PRO 44 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kz5 h VAL 45 N -2.70 0.20 -0.06 0.52 3.04 -1.99 0.10 116.25 115.37 2kz5 h VAL 45 Ca -0.36 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 2kz5 h VAL 45 Cb 1.11 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2kz5 h VAL 45 CO 0.23 0.00 0.01 0.44 -1.01 0.00 0.00 177.57 177.24 2kz5 h ASP 46 N -0.69 0.10 -0.47 3.17 5.19 -2.00 -1.90 116.42 119.83 2kz5 h ASP 46 Ca 0.00 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2kz5 h ASP 46 Cb 0.68 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2kz5 h ASP 46 CO -0.17 0.33 0.28 0.44 -3.12 0.00 0.00 179.24 177.00 2kz5 h ASP 47 N -0.14 0.58 0.01 6.45 5.19 -1.91 -0.22 116.42 126.39 2kz5 h ASP 47 Ca 0.02 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2kz5 h ASP 47 Cb 0.27 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2kz5 h ASP 47 CO 0.00 0.46 -0.01 0.15 -3.12 0.00 0.00 179.24 176.72 2kz5 h PHE 48 N 0.67 -0.02 -0.98 4.55 3.57 -0.59 -0.14 116.94 124.00 2kz5 h PHE 48 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2kz5 h PHE 48 Cb -0.01 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2kz5 h PHE 48 CO 0.00 0.06 0.65 -0.91 -2.23 0.00 0.00 178.31 175.88 2kz5 h ASN 49 N -0.09 1.12 -0.20 0.41 2.35 -0.73 -2.12 115.58 116.31 2kz5 h ASN 49 Ca -0.00 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2kz5 h ASN 49 Cb 0.08 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2kz5 h ASN 49 CO 0.00 0.81 0.04 -0.33 -1.65 0.00 0.00 177.43 176.30 2kz5 h GLU 50 N 1.32 0.12 -0.66 0.81 4.39 -0.88 -1.41 114.58 118.27 2kz5 h GLU 50 Ca 0.36 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.18 2kz5 h GLU 50 Cb -0.15 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.38 2kz5 h GLU 50 CO -0.08 0.08 0.18 1.25 -1.16 0.00 0.00 179.01 179.28 2kz5 h LEU 51 N 0.12 0.08 -0.98 1.33 5.85 -0.40 0.33 115.31 121.64 2kz5 h LEU 51 Ca 0.09 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2kz5 h LEU 51 Cb 0.09 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2kz5 h LEU 51 CO -0.12 0.03 0.01 -0.07 -0.34 0.00 0.00 178.44 177.95 2kz5 h LEU 52 N 0.31 0.71 0.00 2.25 3.38 -1.14 -2.97 115.31 117.85 2kz5 h LEU 52 Ca 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kz5 h LEU 52 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kz5 h LEU 52 CO -0.42 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 178.85 2kz5 h ALA 53 N 1.31 0.98 -0.20 1.53 0.00 0.08 -3.28 119.26 119.68 2kz5 h ALA 53 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kz5 h ALA 53 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kz5 h ALA 53 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2kz5 n ARG 54 N -3.01 2.05 -4.17 0.00 1.74 0.97 -4.90 116.66 109.34 2kz5 n ARG 54 Ca 0.04 -1.57 -0.17 0.00 -0.77 0.00 0.00 57.85 55.38 2kz5 n ARG 54 Cb 0.52 -1.45 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.75 1.03 -1.08 -1.55 2.02 -1.21 -5.06 117.35 109.75 2kz5 s TYR 55 Ca 0.34 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.39 2kz5 s TYR 55 Cb 0.20 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2kz5 s TYR 55 CO 0.29 0.01 1.79 -1.25 -1.57 0.00 0.00 175.55 174.82 2kz5 s PRO 56 N -1.50 3.04 -0.10 -1.71 0.04 -1.26 -4.95 135.00 128.55 2kz5 s PRO 56 Ca -0.03 -1.02 0.02 0.00 0.04 0.00 0.00 61.00 60.01 2kz5 s PRO 56 Cb -0.09 -5.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.17 2kz5 s PRO 56 CO 0.01 -3.07 -0.19 -0.51 0.04 0.00 0.00 177.00 173.29 2kz5 s LEU 57 N 8.10 2.40 0.69 -3.56 1.43 -1.26 -5.05 118.68 121.43 2kz5 s LEU 57 Ca 0.61 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 2kz5 s LEU 57 Cb -0.02 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2kz5 s LEU 57 CO 0.02 0.19 1.12 0.42 0.23 0.00 0.00 176.35 178.33 2kz5 s THR 58 N 0.21 3.11 0.28 5.49 -4.23 -1.26 -4.80 115.64 114.43 2kz5 s THR 58 Ca -0.12 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2kz5 s THR 58 Cb -0.16 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.96 2kz5 s THR 58 CO 0.06 -0.34 1.67 -0.33 -0.54 0.00 0.00 174.62 175.14 2kz5 h GLU 59 N -0.22 0.28 -0.30 3.99 5.08 -2.01 0.32 114.58 121.71 2kz5 h GLU 59 Ca -0.46 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 2kz5 h GLU 59 Cb 1.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2kz5 h GLU 59 CO 0.53 0.18 -0.10 1.03 -1.00 0.00 0.00 179.01 179.65 2kz5 h SER 60 N 0.28 0.48 -0.44 1.42 0.87 -2.00 -2.78 113.55 111.39 2kz5 h SER 60 Ca 0.51 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2kz5 h SER 60 Cb 0.98 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2kz5 h SER 60 CO -0.58 0.62 0.22 1.56 -0.53 0.00 0.00 176.83 178.13 2kz5 h GLN 61 N 0.47 0.63 -0.56 2.24 4.20 -0.72 -1.01 115.11 120.36 2kz5 h GLN 61 Ca 0.09 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2kz5 h GLN 61 Cb 0.45 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2kz5 h GLN 61 CO 0.02 0.52 0.37 -0.07 -0.67 0.00 0.00 178.83 179.00 2kz5 h LEU 62 N 0.57 0.63 -1.19 1.46 4.07 -1.32 -0.74 115.31 118.79 2kz5 h LEU 62 Ca 0.15 -0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.16 2kz5 h LEU 62 Cb 0.09 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.62 2kz5 h LEU 62 CO -0.02 0.45 0.57 0.00 -1.08 0.00 0.00 178.44 178.36 2kz5 h ALA 63 N 1.21 1.55 0.23 1.53 0.00 -1.20 -1.64 119.26 120.94 2kz5 h ALA 63 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kz5 h ALA 63 Cb -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2kz5 h ALA 63 CO -0.05 0.32 -0.11 1.25 0.00 0.00 0.00 179.25 180.66 2kz5 h LEU 64 N 0.98 -0.26 -1.21 0.00 5.85 -0.57 -2.98 115.31 117.12 2kz5 h LEU 64 Ca 0.37 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.06 2kz5 h LEU 64 Cb 0.20 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2kz5 h LEU 64 CO -0.14 0.06 0.60 0.58 -0.34 0.00 0.00 178.44 179.21 2kz5 h VAL 65 N -0.62 0.80 -0.75 1.05 2.07 -0.80 0.35 116.25 118.35 2kz5 h VAL 65 Ca -0.03 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2kz5 h VAL 65 Cb 0.44 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2kz5 h VAL 65 CO 0.05 0.13 0.25 0.03 0.02 0.00 0.00 177.57 178.05 2kz5 h ARG 66 N 0.72 1.16 -0.32 1.57 3.08 -1.32 -1.75 114.38 117.53 2kz5 h ARG 66 Ca 0.49 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 2kz5 h ARG 66 Cb 0.78 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2kz5 h ARG 66 CO -0.25 0.97 -0.10 0.22 -1.07 0.00 0.00 179.97 179.75 2kz5 h ASP 67 N 1.12 0.63 -0.81 7.04 3.58 -0.86 -2.69 116.42 124.43 2kz5 h ASP 67 Ca 0.25 -0.38 0.10 0.00 0.42 0.00 0.00 57.03 57.42 2kz5 h ASP 67 Cb 0.29 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.09 2kz5 h ASP 67 CO -0.01 0.87 0.45 0.40 -2.88 0.00 0.00 179.24 178.06 2kz5 h ILE 68 N 0.40 0.88 0.02 2.25 2.04 -0.79 0.25 117.51 122.56 2kz5 h ILE 68 Ca 0.08 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2kz5 h ILE 68 Cb 0.60 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2kz5 h ILE 68 CO 0.04 0.14 -0.01 -0.09 0.00 0.00 0.00 178.15 178.22 2kz5 h ARG 69 N 0.74 -0.02 0.00 2.37 2.43 -1.26 -1.11 114.38 117.54 2kz5 h ARG 69 Ca 0.40 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2kz5 h ARG 69 Cb 0.40 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2kz5 h ARG 69 CO -0.26 0.09 -0.40 0.07 -1.51 0.00 0.00 179.97 177.95 2kz5 h ARG 70 N -0.13 0.00 0.04 0.20 0.11 -1.09 -0.11 114.38 113.39 2kz5 h ARG 70 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kz5 h ARG 70 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2kz5 h ARG 70 CO 0.00 0.40 -0.02 0.00 0.10 0.00 0.00 179.97 180.46 2kz5 h ARG 71 N 0.00 -0.05 -0.39 0.08 2.47 -0.39 -0.18 114.38 115.92 2kz5 h ARG 71 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kz5 h ARG 71 Cb 0.79 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.11 2kz5 h ARG 71 CO 0.05 0.39 0.23 0.78 0.56 0.00 0.00 179.97 181.98 2kz5 h GLY 72 N -0.50 0.57 2.00 0.04 0.00 -1.11 -2.65 103.07 101.42 2kz5 h GLY 72 Ca -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2kz5 h GLY 72 CO 0.01 0.23 -0.18 1.70 0.00 0.00 0.00 176.54 178.30 2kz5 h LYS 73 N 0.51 0.00 -0.70 4.80 3.64 -1.06 -2.87 116.57 120.89 2kz5 h LYS 73 Ca 0.14 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.71 2kz5 h LYS 73 Cb 0.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2kz5 h LYS 73 CO -0.03 0.18 0.50 -0.97 -2.27 0.00 0.00 179.45 176.86 2kz5 h ASN 74 N 0.00 0.05 -0.31 4.20 -1.24 -0.64 0.20 115.58 117.85 2kz5 h ASN 74 Ca -0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 2kz5 h ASN 74 Cb 0.40 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2kz5 h ASN 74 CO 0.02 0.02 0.15 0.50 -1.29 0.00 0.00 177.43 176.84 2kz5 h LYS 75 N 0.05 0.31 -0.08 6.67 1.63 -1.62 0.19 116.57 123.73 2kz5 h LYS 75 Ca 0.33 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.93 2kz5 h LYS 75 Cb 1.26 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2kz5 h LYS 75 CO -0.02 0.20 -0.73 0.28 -3.45 0.00 0.00 179.45 175.73 2kz5 h VAL 76 N 0.32 1.37 -0.28 2.00 2.07 -0.93 -3.03 116.25 117.77 2kz5 h VAL 76 Ca 0.13 -2.13 -0.10 0.00 0.82 0.00 0.00 66.70 65.42 2kz5 h VAL 76 Cb 0.04 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2kz5 h VAL 76 CO -0.09 0.64 -0.23 0.00 0.02 0.00 0.00 177.57 177.91 2kz5 h ALA 77 N 0.91 1.07 -0.07 1.67 0.00 -0.49 -1.24 119.26 121.11 2kz5 h ALA 77 Ca -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2kz5 h ALA 77 Cb 1.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kz5 h ALA 77 CO 0.13 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 2kz5 h ALA 78 N 1.28 0.11 -0.34 0.00 0.00 -0.64 -2.18 119.26 117.48 2kz5 h ALA 78 Ca 0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2kz5 h ALA 78 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kz5 h ALA 78 CO 0.05 -0.01 -0.15 -0.56 0.00 0.00 0.00 179.25 178.57 2kz5 h GLN 79 N -0.26 0.62 -0.69 0.00 3.07 -1.52 -2.78 115.11 113.54 2kz5 h GLN 79 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.54 2kz5 h GLN 79 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.19 2kz5 h GLN 79 CO 0.03 0.75 0.00 0.09 0.09 0.00 0.00 178.83 179.78 2kz5 n ASN 80 N -4.16 3.97 -4.62 0.06 3.02 -0.47 -4.94 115.26 108.12 2kz5 n ASN 80 Ca 0.01 -2.54 -0.43 0.00 -0.03 0.00 0.00 54.58 51.59 2kz5 n ASN 80 Cb 0.36 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.06 1.30 -0.45 3.10 6.14 -0.82 -4.86 117.35 119.69 2kz5 s TYR 81 Ca 0.36 0.32 -0.27 0.00 0.64 0.00 0.00 57.07 58.12 2kz5 s TYR 81 Cb 0.26 -4.02 -0.05 0.00 0.42 0.00 0.00 41.96 38.57 2kz5 s TYR 81 CO 0.12 -4.26 2.25 0.50 0.64 0.00 0.00 175.55 174.80 2kz5 s ARG 82 N 5.76 2.45 -0.40 4.97 3.52 -1.26 -4.93 118.95 129.06 2kz5 s ARG 82 Ca 0.94 1.39 -0.04 0.00 -0.13 0.00 0.00 55.73 57.89 2kz5 s ARG 82 Cb -0.34 -4.49 0.10 0.00 -1.56 0.00 0.00 34.95 28.66 2kz5 s ARG 82 CO 0.36 -2.89 0.20 0.21 -0.81 0.00 0.00 175.30 172.37 2kz5 s LYS 83 N 7.56 2.19 -0.30 5.12 2.20 -1.26 -5.04 119.74 130.21 2kz5 s LYS 83 Ca 0.92 -1.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.72 2kz5 s LYS 83 Cb -0.19 -3.60 0.13 0.00 -1.51 0.00 0.00 37.83 32.65 2kz5 s LYS 83 CO 0.27 -1.02 0.70 0.50 -0.36 0.00 0.00 175.35 175.45 2kz5 s ARG 84 N 1.22 0.57 -1.24 4.03 6.06 -1.26 -5.08 118.95 123.25 2kz5 s ARG 84 Ca 0.06 1.32 -0.20 0.00 -2.50 0.00 0.00 55.73 54.41 2kz5 s ARG 84 Cb -0.23 0.69 0.02 0.00 0.06 0.00 0.00 34.95 35.49 2kz5 s ARG 84 CO -0.03 -0.18 1.77 0.21 -2.50 0.00 0.00 175.30 174.58 2kz5 s LYS 85 N 2.59 3.53 0.47 5.12 2.36 -1.26 -4.96 119.74 127.60 2kz5 s LYS 85 Ca -0.06 -1.66 -0.24 0.00 -2.55 0.00 0.00 55.97 51.45 2kz5 s LYS 85 Cb -0.10 -5.44 -0.07 0.00 -1.05 0.00 0.00 37.83 31.17 2kz5 s LYS 85 CO -0.19 -2.73 1.36 -0.48 1.55 0.00 0.00 175.35 174.86 2kz5 s LEU 86 N 6.19 4.04 -0.73 5.43 2.34 -1.26 -4.93 118.68 129.76 2kz5 s LEU 86 Ca 0.57 2.76 -0.24 0.00 0.06 0.00 0.00 54.13 57.29 2kz5 s LEU 86 Cb 0.02 -4.07 0.06 0.00 -0.56 0.00 0.00 46.19 41.65 2kz5 s LEU 86 CO 0.08 -1.22 1.10 -0.70 -1.06 0.00 0.00 176.35 174.54 2kz5 s GLU 87 N -2.58 3.20 -0.97 1.48 2.56 -1.26 -4.96 118.70 116.17 2kz5 s GLU 87 Ca 0.64 -0.76 -0.24 0.00 0.00 0.00 0.00 54.97 54.61 2kz5 s GLU 87 Cb -0.40 -4.34 0.02 0.00 2.00 0.00 0.00 34.13 31.41 2kz5 s GLU 87 CO 0.50 -1.93 1.59 0.99 -0.56 0.00 0.00 175.26 175.85 2kz5 s THR 88 N 4.47 3.77 -0.08 -1.70 2.01 -1.26 -4.98 115.64 117.88 2kz5 s THR 88 Ca 0.28 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2kz5 s THR 88 Cb -0.12 -4.74 -0.02 0.00 0.01 0.00 0.00 72.50 67.62 2kz5 s THR 88 CO 0.09 -1.64 1.10 -0.63 -0.69 0.00 0.00 174.62 172.85 2kz5 s ILE 89 N 6.52 4.53 -0.19 1.82 1.01 -1.26 -5.04 121.20 128.58 2kz5 s ILE 89 Ca 0.53 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.93 2kz5 s ILE 89 Cb -0.02 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2kz5 s ILE 89 CO -0.06 0.01 0.06 0.54 0.00 0.00 0.00 174.94 175.48 2kz5 s VAL 90 N 2.08 4.63 -2.00 2.92 0.11 -1.26 -5.34 120.40 121.54 2kz5 s VAL 90 Ca 0.52 -0.08 0.22 0.00 -2.93 0.00 0.00 61.98 59.71 2kz5 s VAL 90 Cb -0.21 -3.10 0.63 0.00 -1.53 0.00 0.00 36.38 32.17 2kz5 s VAL 90 CO 0.20 0.44 1.70 0.00 -3.33 0.00 0.00 175.10 174.11