#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 -0.47 -1.56 3.03 0.00 -1.26 -4.83 107.32 102.23 2kz5 s GLY 2 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2kz5 s GLY 2 CO 0.00 3.96 2.71 1.42 0.00 0.00 0.00 173.10 181.19 2kz5 n HIS 3 N 17.03 2.74 -1.77 1.90 -0.00 -1.26 -4.96 115.22 128.90 2kz5 n HIS 3 Ca 0.44 -3.04 -0.43 0.00 -0.00 0.00 0.00 57.72 54.69 2kz5 n HIS 3 Cb 0.45 -2.45 -0.03 0.00 -0.00 0.00 0.00 29.99 27.96 2kz5 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kz5 s HIS 4 N 2.16 1.45 -0.44 4.41 5.65 -1.26 -4.91 115.29 122.36 2kz5 s HIS 4 Ca 0.62 0.25 -0.28 0.00 0.25 0.00 0.00 55.06 55.90 2kz5 s HIS 4 Cb 0.17 -4.05 -0.02 0.00 -1.18 0.00 0.00 32.58 27.50 2kz5 s HIS 4 CO -0.07 -4.20 1.84 -3.38 -0.65 0.00 0.00 174.74 168.29 2kz5 s HIS 5 N 6.38 1.73 0.68 3.88 0.00 -1.26 -4.98 115.29 121.72 2kz5 s HIS 5 Ca 0.89 0.73 -0.14 0.00 -3.00 0.00 0.00 55.06 53.55 2kz5 s HIS 5 Cb -0.33 -4.09 0.01 0.00 -4.00 0.00 0.00 32.58 24.17 2kz5 s HIS 5 CO 0.36 -2.68 1.09 -3.38 -1.00 0.00 0.00 174.74 169.12 2kz5 s HIS 6 N 7.90 2.73 -0.01 0.38 -0.00 -1.26 -5.07 115.29 119.96 2kz5 s HIS 6 Ca 0.76 1.53 0.02 0.00 -0.00 0.00 0.00 55.06 57.37 2kz5 s HIS 6 Cb -0.18 -3.08 -0.00 0.00 -0.00 0.00 0.00 32.58 29.31 2kz5 s HIS 6 CO 0.29 -1.56 -0.06 -1.58 -0.00 0.00 0.00 174.74 171.82 2kz5 s HIS 7 N -2.58 0.60 -0.03 0.38 5.65 -1.26 -5.15 115.29 112.90 2kz5 s HIS 7 Ca 0.64 -0.12 -0.01 0.00 0.25 0.00 0.00 55.06 55.82 2kz5 s HIS 7 Cb -0.18 -0.40 0.03 0.00 -1.18 0.00 0.00 32.58 30.85 2kz5 s HIS 7 CO 0.46 -0.02 0.07 -1.58 -0.65 0.00 0.00 174.74 173.01 2kz5 s HIS 8 N -0.09 -0.03 0.26 3.88 2.46 -1.26 -5.16 115.29 115.35 2kz5 s HIS 8 Ca 0.02 0.24 -0.12 0.00 0.47 0.00 0.00 55.06 55.66 2kz5 s HIS 8 Cb -0.03 -0.18 -0.08 0.00 -0.13 0.00 0.00 32.58 32.16 2kz5 s HIS 8 CO -0.00 -0.11 0.63 -1.12 -2.47 0.00 0.00 174.74 171.67 2kz5 s SER 9 N 1.03 6.71 -0.09 9.88 0.01 -1.26 -5.09 113.70 124.90 2kz5 s SER 9 Ca -0.08 1.09 -0.04 0.00 1.31 0.00 0.00 55.95 58.23 2kz5 s SER 9 Cb -0.12 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 2kz5 s SER 9 CO -0.04 -0.11 0.08 -1.00 0.41 0.00 0.00 173.24 172.58 2kz5 s HIS 10 N -1.85 3.37 0.30 2.43 0.09 -1.26 -5.12 115.29 113.25 2kz5 s HIS 10 Ca 0.49 0.34 0.05 0.00 -0.00 0.00 0.00 55.06 55.95 2kz5 s HIS 10 Cb -0.11 -1.85 -0.06 0.00 -0.00 0.00 0.00 32.58 30.56 2kz5 s HIS 10 CO 0.19 0.60 -0.01 -1.64 -0.00 0.00 0.00 174.74 173.88 2kz5 s MET 11 N -1.09 1.60 -0.29 1.40 1.00 -1.26 -5.15 119.30 115.50 2kz5 s MET 11 Ca 0.16 -1.84 0.03 0.00 0.00 0.00 0.00 55.69 54.04 2kz5 s MET 11 Cb -0.12 -1.06 0.19 0.00 0.00 0.00 0.00 34.83 33.85 2kz5 s MET 11 CO 0.05 -0.05 0.59 0.00 0.00 0.00 0.00 175.02 175.61 2kz5 s ALA 12 N -3.11 -2.31 -0.22 3.03 0.00 -1.26 -5.14 121.76 112.74 2kz5 s ALA 12 Ca 0.32 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 2kz5 s ALA 12 Cb 0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2kz5 s ALA 12 CO 0.13 -1.64 0.04 0.15 0.00 0.00 0.00 175.76 174.44 2kz5 s LYS 13 N 2.83 3.69 -0.39 0.00 3.01 -1.26 -5.08 119.74 122.54 2kz5 s LYS 13 Ca 0.14 -0.48 -0.26 0.00 -1.01 0.00 0.00 55.97 54.36 2kz5 s LYS 13 Cb -0.12 -3.21 0.02 0.00 -1.01 0.00 0.00 37.83 33.51 2kz5 s LYS 13 CO -0.24 -0.04 0.96 -1.25 0.51 0.00 0.00 175.35 175.29 2kz5 s PRO 14 N 1.17 3.80 -1.25 -1.68 0.04 -1.26 -4.98 135.00 130.84 2kz5 s PRO 14 Ca 0.04 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 61.45 2kz5 s PRO 14 Cb -0.14 -3.83 0.08 0.00 0.04 0.00 0.00 34.50 30.65 2kz5 s PRO 14 CO 0.02 -1.03 1.66 0.95 0.04 0.00 0.00 177.00 178.65 2kz5 s THR 15 N 3.63 4.19 -0.62 1.26 -4.23 -1.26 -4.95 115.64 113.66 2kz5 s THR 15 Ca 0.39 -1.83 -0.27 0.00 -1.18 0.00 0.00 61.69 58.80 2kz5 s THR 15 Cb -0.11 -5.15 0.01 0.00 1.34 0.00 0.00 72.50 68.59 2kz5 s THR 15 CO 0.21 -1.97 1.53 0.00 -0.54 0.00 0.00 174.62 173.85 2kz5 s ALA 16 N 4.06 2.60 0.37 3.99 0.00 -1.26 -4.99 121.76 126.52 2kz5 s ALA 16 Ca 0.52 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.74 2kz5 s ALA 16 Cb 0.03 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.87 2kz5 s ALA 16 CO 0.05 -3.32 -0.04 -0.98 0.00 0.00 0.00 175.76 171.47 2kz5 s ARG 17 N 6.06 1.91 -0.44 0.00 1.70 -1.26 -5.11 118.95 121.81 2kz5 s ARG 17 Ca 0.53 -1.98 0.07 0.00 -0.47 0.00 0.00 55.73 53.88 2kz5 s ARG 17 Cb -0.11 -1.71 0.23 0.00 -0.57 0.00 0.00 34.95 32.79 2kz5 s ARG 17 CO 0.21 0.07 0.65 0.41 -1.08 0.00 0.00 175.30 175.56 2kz5 n GLY 18 N -0.88 1.47 3.77 3.88 0.00 -1.26 -5.15 105.19 107.02 2kz5 n GLY 18 Ca -0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.20 2.76 0.08 1.61 2.02 -1.26 -5.02 118.70 118.69 2kz5 s GLU 19 Ca 0.33 -1.04 0.23 0.00 0.02 0.00 0.00 54.97 54.51 2kz5 s GLU 19 Cb 0.17 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.90 2kz5 s GLU 19 CO -0.17 0.43 1.00 0.00 0.02 0.00 0.00 175.26 176.55 2kz5 n ALA 20 N -0.70 3.09 -1.97 5.21 0.00 -1.26 -5.00 120.51 119.89 2kz5 n ALA 20 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2kz5 n ALA 20 Cb 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.31 0.77 3.79 0.00 0.00 -1.26 -5.06 105.19 104.75 2kz5 n GLY 21 Ca 0.01 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2kz5 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kz5 s SER 22 N -2.79 6.99 0.11 1.61 0.15 -1.26 -4.99 113.70 113.52 2kz5 s SER 22 Ca 0.00 1.85 -0.31 0.00 0.70 0.00 0.00 55.95 58.18 2kz5 s SER 22 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 2kz5 s SER 22 CO 0.00 -0.32 1.59 -0.09 1.20 0.00 0.00 173.24 175.62 2kz5 h ARG 23 N 2.48 -0.63 0.00 5.44 2.43 -2.02 -2.60 114.38 119.48 2kz5 h ARG 23 Ca -0.48 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2kz5 h ARG 23 Cb 1.20 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2kz5 h ARG 23 CO 0.63 -0.42 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.19 2kz5 h ASP 24 N -0.66 0.00 -0.53 -3.80 3.32 -2.00 -1.64 116.42 111.12 2kz5 h ASP 24 Ca 0.02 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2kz5 h ASP 24 Cb 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2kz5 h ASP 24 CO -0.24 0.03 0.29 -0.33 -1.72 0.00 0.00 179.24 177.27 2kz5 h GLU 25 N 0.00 0.56 -0.25 3.56 4.39 -1.86 -0.52 114.58 120.45 2kz5 h GLU 25 Ca -0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2kz5 h GLU 25 Cb 0.09 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2kz5 h GLU 25 CO 0.00 0.37 -0.23 0.00 -1.16 0.00 0.00 179.01 178.00 2kz5 h ARG 26 N 0.58 0.47 -0.09 2.33 -0.00 -1.33 -2.51 114.38 113.83 2kz5 h ARG 26 Ca 0.22 -0.17 0.02 0.00 -0.50 0.00 0.00 59.98 59.55 2kz5 h ARG 26 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 2kz5 h ARG 26 CO -0.12 0.67 -0.02 0.00 0.00 0.00 0.00 179.97 180.49 2kz5 h ARG 27 N 0.42 -0.00 0.26 0.04 3.08 -1.23 -2.20 114.38 114.74 2kz5 h ARG 27 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2kz5 h ARG 27 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2kz5 h ARG 27 CO 0.04 -0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.76 2kz5 h ALA 28 N 1.08 -0.42 0.00 0.04 0.00 -0.90 -1.22 119.26 117.84 2kz5 h ALA 28 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kz5 h ALA 28 Cb 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 28 CO -0.09 -0.75 -0.18 1.37 0.00 0.00 0.00 179.25 179.59 2kz5 h LEU 29 N -0.44 0.00 0.00 0.00 8.10 -1.48 0.50 115.31 121.99 2kz5 h LEU 29 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 2kz5 h LEU 29 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 2kz5 h LEU 29 CO 0.01 0.18 -0.01 0.00 -4.11 0.00 0.00 178.44 174.51 2kz5 h ALA 30 N 1.82 0.00 -0.01 0.17 0.00 -1.18 -3.27 119.26 116.78 2kz5 h ALA 30 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kz5 h ALA 30 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kz5 h ALA 30 CO 0.02 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 2kz5 n MET 31 N -4.67 1.21 -2.97 0.00 2.81 -0.48 -4.95 117.12 108.07 2kz5 n MET 31 Ca -0.10 -0.30 -0.09 0.00 -1.81 0.00 0.00 57.70 55.40 2kz5 n MET 31 Cb 0.42 -1.46 0.04 0.00 -0.71 0.00 0.00 33.22 31.51 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 -0.60 -1.71 -3.43 0.03 5.02 0.15 -4.91 118.16 112.71 2kz5 n LYS 32 Ca 0.21 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.05 2kz5 n LYS 32 Cb 0.18 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.24 5.22 -1.27 -0.18 -1.09 0.18 -4.99 121.20 115.84 2kz5 s ILE 33 Ca 0.28 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.35 2kz5 s ILE 33 Cb -0.04 -3.69 0.12 0.00 -1.58 0.00 0.00 42.46 37.27 2kz5 s ILE 33 CO 0.64 0.26 0.83 -0.81 -1.23 0.00 0.00 174.94 174.63 2kz5 n PRO 34 N 4.48 1.49 -3.82 2.79 -0.05 -1.26 -4.80 135.00 133.83 2kz5 n PRO 34 Ca -0.09 -0.46 -0.12 0.00 -0.05 0.00 0.00 63.50 62.77 2kz5 n PRO 34 Cb 0.51 -1.44 -0.10 0.00 -0.05 0.00 0.00 33.50 32.43 2kz5 n PRO 34 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 2kz5 s PHE 35 N -1.47 -0.09 0.49 0.54 -0.71 -1.26 -5.16 117.98 110.33 2kz5 s PHE 35 Ca 0.08 0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.88 2kz5 s PHE 35 Cb 0.06 0.03 -0.06 0.00 -1.21 0.00 0.00 43.02 41.83 2kz5 s PHE 35 CO 0.03 -0.29 1.29 -1.25 -1.34 0.00 0.00 175.22 173.66 2kz5 s PRO 36 N -1.10 3.49 0.23 1.99 0.04 -1.26 -4.95 135.00 133.43 2kz5 s PRO 36 Ca -0.12 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 62.95 2kz5 s PRO 36 Cb -0.06 -2.40 0.21 0.00 0.04 0.00 0.00 34.50 32.29 2kz5 s PRO 36 CO 0.02 -0.86 1.75 1.79 0.04 0.00 0.00 177.00 179.74 2kz5 h THR 37 N 1.79 1.25 -0.61 1.26 1.35 -1.97 -2.85 112.91 113.13 2kz5 h THR 37 Ca -0.50 -0.95 0.04 0.00 -0.55 0.00 0.00 66.41 64.45 2kz5 h THR 37 Cb 1.27 0.61 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 2kz5 h THR 37 CO 0.59 0.36 0.35 -2.24 -0.25 0.00 0.00 175.52 174.33 2kz5 h ASP 38 N 0.97 0.53 -0.90 5.36 3.04 -1.98 -1.93 116.42 121.52 2kz5 h ASP 38 Ca 0.20 0.02 0.09 0.00 -3.24 0.00 0.00 57.03 54.11 2kz5 h ASP 38 Cb 0.37 -0.09 -0.07 0.00 -1.04 0.00 0.00 39.33 38.49 2kz5 h ASP 38 CO 0.00 0.36 0.55 0.50 -2.04 0.00 0.00 179.24 178.61 2kz5 h LYS 39 N 0.66 0.89 -0.68 4.15 3.64 -1.90 -0.38 116.57 122.96 2kz5 h LYS 39 Ca 0.26 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 2kz5 h LYS 39 Cb 0.10 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2kz5 h LYS 39 CO -0.14 0.59 0.45 0.82 -2.27 0.00 0.00 179.45 178.89 2kz5 h ILE 40 N 0.92 0.98 0.11 2.00 2.04 -1.23 -1.98 117.51 120.35 2kz5 h ILE 40 Ca 0.43 -0.22 -0.19 0.00 1.00 0.00 0.00 64.86 65.88 2kz5 h ILE 40 Cb 0.35 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2kz5 h ILE 40 CO -0.23 0.12 -0.91 0.58 0.00 0.00 0.00 178.15 177.70 2kz5 h VAL 41 N 0.64 1.38 0.00 1.67 2.07 -0.95 -3.39 116.25 117.67 2kz5 h VAL 41 Ca 0.30 -2.46 -0.12 0.00 0.82 0.00 0.00 66.70 65.24 2kz5 h VAL 41 Cb 0.34 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2kz5 h VAL 41 CO -0.10 0.68 -0.55 0.78 0.02 0.00 0.00 177.57 178.40 2kz5 h ASN 42 N -0.46 0.00 -3.98 0.57 2.35 -1.01 -3.46 115.58 109.59 2kz5 h ASN 42 Ca -0.18 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.07 2kz5 h ASN 42 Cb 1.58 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.00 2kz5 h ASN 42 CO 0.09 0.55 0.46 -0.76 -1.65 0.00 0.00 177.43 176.12 2kz5 s LEU 43 N -6.54 4.09 0.87 1.61 1.43 -0.75 -5.05 118.68 114.33 2kz5 s LEU 43 Ca 0.03 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 2kz5 s LEU 43 Cb 0.08 -4.18 0.11 0.00 0.03 0.00 0.00 46.19 42.24 2kz5 s LEU 43 CO 0.75 -0.72 1.11 -2.16 0.23 0.00 0.00 176.35 175.56 2kz5 s PRO 44 N -2.55 1.49 0.28 1.29 0.04 -1.26 -4.76 135.00 129.53 2kz5 s PRO 44 Ca 0.60 0.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 2kz5 s PRO 44 Cb -0.27 -1.86 0.50 0.00 0.04 0.00 0.00 34.50 32.92 2kz5 s PRO 44 CO 0.33 -2.00 1.85 -0.24 0.04 0.00 0.00 177.00 176.97 2kz5 h VAL 45 N -1.36 0.97 0.46 -0.36 3.04 -1.98 0.65 116.25 117.67 2kz5 h VAL 45 Ca -0.49 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 64.83 2kz5 h VAL 45 Cb 1.30 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2kz5 h VAL 45 CO 0.60 0.19 -0.41 0.44 -1.01 0.00 0.00 177.57 177.38 2kz5 h ASP 46 N 1.04 -1.11 -0.49 3.17 5.19 -2.01 -0.88 116.42 121.33 2kz5 h ASP 46 Ca 0.47 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.93 2kz5 h ASP 46 Cb 0.39 0.36 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 2kz5 h ASP 46 CO -0.24 -0.56 0.17 -0.78 -3.12 0.00 0.00 179.24 174.72 2kz5 h ASP 47 N -0.85 0.74 -0.15 6.45 1.82 -1.88 -2.94 116.42 119.61 2kz5 h ASP 47 Ca -0.06 -0.11 0.03 0.00 -0.39 0.00 0.00 57.03 56.50 2kz5 h ASP 47 Cb 0.73 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 2kz5 h ASP 47 CO -0.02 0.70 -0.03 0.15 -1.61 0.00 0.00 179.24 178.43 2kz5 h PHE 48 N 0.79 -0.07 -0.29 0.28 3.57 -0.68 0.15 116.94 120.69 2kz5 h PHE 48 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 2kz5 h PHE 48 Cb 0.22 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2kz5 h PHE 48 CO 0.01 -0.06 0.03 -0.91 -2.23 0.00 0.00 178.31 175.16 2kz5 h ASN 49 N 0.01 -0.05 -0.69 0.41 2.35 -0.99 -1.89 115.58 114.74 2kz5 h ASN 49 Ca 0.07 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2kz5 h ASN 49 Cb 0.11 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2kz5 h ASN 49 CO -0.15 0.01 0.24 -0.33 -1.65 0.00 0.00 177.43 175.55 2kz5 h GLU 50 N 0.13 1.07 -0.79 0.81 5.08 -1.40 -2.40 114.58 117.08 2kz5 h GLU 50 Ca 0.14 -0.21 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 2kz5 h GLU 50 Cb 0.16 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2kz5 h GLU 50 CO -0.20 0.90 0.43 1.25 -1.00 0.00 0.00 179.01 180.39 2kz5 h LEU 51 N 1.04 0.59 0.37 1.33 5.85 -0.00 0.17 115.31 124.66 2kz5 h LEU 51 Ca 0.23 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2kz5 h LEU 51 Cb 0.26 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2kz5 h LEU 51 CO -0.01 0.33 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.16 2kz5 h LEU 52 N 0.71 -0.43 -2.20 2.25 3.38 -1.11 -3.08 115.31 114.82 2kz5 h LEU 52 Ca 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2kz5 h LEU 52 Cb 0.40 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kz5 h LEU 52 CO -0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 178.44 178.08 2kz5 h ALA 53 N -0.17 1.64 0.01 1.53 0.00 -0.92 -2.46 119.26 118.88 2kz5 h ALA 53 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2kz5 h ALA 53 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kz5 h ALA 53 CO 0.08 0.04 -0.87 0.00 0.00 0.00 0.00 179.25 178.50 2kz5 h ARG 54 N 0.00 0.06 -5.61 0.00 3.08 -0.66 -3.45 114.38 107.79 2kz5 h ARG 54 Ca -0.00 -0.07 -0.66 0.00 0.07 0.00 0.00 59.98 59.32 2kz5 h ARG 54 Cb 0.07 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 2kz5 h ARG 54 CO 0.00 0.89 -0.51 0.71 -1.07 0.00 0.00 179.97 180.00 2kz5 s TYR 55 N -3.08 3.49 -1.06 3.04 1.51 -0.93 -5.02 117.35 115.30 2kz5 s TYR 55 Ca -0.01 0.42 -0.24 0.00 -1.01 0.00 0.00 57.07 56.23 2kz5 s TYR 55 Cb 0.11 -1.96 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 2kz5 s TYR 55 CO 0.81 0.60 2.00 -1.25 -1.11 0.00 0.00 175.55 176.60 2kz5 s PRO 56 N -0.72 2.24 -0.01 -1.71 0.04 -1.26 -4.91 135.00 128.67 2kz5 s PRO 56 Ca 0.13 -0.67 0.03 0.00 0.04 0.00 0.00 61.00 60.52 2kz5 s PRO 56 Cb -0.12 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.27 2kz5 s PRO 56 CO 0.03 -4.08 -0.08 -0.51 0.04 0.00 0.00 177.00 172.40 2kz5 s LEU 57 N 11.97 3.11 0.85 -3.56 1.43 -1.26 -5.04 118.68 126.18 2kz5 s LEU 57 Ca 0.73 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 2kz5 s LEU 57 Cb -0.04 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.55 2kz5 s LEU 57 CO 0.10 0.30 1.21 0.42 0.23 0.00 0.00 176.35 178.61 2kz5 s THR 58 N -0.94 2.03 0.39 5.49 -4.23 -1.26 -4.84 115.64 112.28 2kz5 s THR 58 Ca 0.16 -0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.74 2kz5 s THR 58 Cb -0.11 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.88 2kz5 s THR 58 CO 0.06 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.70 2kz5 h GLU 59 N -1.21 0.13 -0.12 3.99 5.08 -2.00 -0.18 114.58 120.27 2kz5 h GLU 59 Ca -0.45 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 57.71 2kz5 h GLU 59 Cb 1.29 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.54 2kz5 h GLU 59 CO 0.55 0.35 -0.58 0.66 -1.00 0.00 0.00 179.01 178.99 2kz5 h SER 60 N 0.12 0.72 -0.10 1.42 4.64 -1.99 -1.93 113.55 116.44 2kz5 h SER 60 Ca 0.02 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2kz5 h SER 60 Cb 0.46 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2kz5 h SER 60 CO 0.03 1.24 0.06 1.56 -0.87 0.00 0.00 176.83 178.85 2kz5 h GLN 61 N 0.25 0.13 -0.95 4.77 4.20 -1.83 -2.06 115.11 119.62 2kz5 h GLN 61 Ca -0.04 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2kz5 h GLN 61 Cb 1.22 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 2kz5 h GLN 61 CO 0.12 0.15 0.59 -0.07 -0.67 0.00 0.00 178.83 178.95 2kz5 h LEU 62 N 0.08 0.89 -0.61 1.46 3.38 -1.10 -0.84 115.31 118.56 2kz5 h LEU 62 Ca 0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2kz5 h LEU 62 Cb 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2kz5 h LEU 62 CO -0.01 0.51 0.33 0.00 0.09 0.00 0.00 178.44 179.36 2kz5 h ALA 63 N 1.49 0.81 -0.16 1.53 0.00 -1.00 -1.21 119.26 120.72 2kz5 h ALA 63 Ca 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2kz5 h ALA 63 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kz5 h ALA 63 CO -0.23 -0.01 0.07 1.25 0.00 0.00 0.00 179.25 180.33 2kz5 h LEU 64 N 0.61 0.21 -0.80 0.00 5.85 -0.59 -2.68 115.31 117.91 2kz5 h LEU 64 Ca 0.28 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.95 2kz5 h LEU 64 Cb 0.18 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2kz5 h LEU 64 CO -0.18 0.28 0.45 0.58 -0.34 0.00 0.00 178.44 179.23 2kz5 h VAL 65 N 0.12 0.93 -0.46 1.05 2.07 -0.82 0.98 116.25 120.11 2kz5 h VAL 65 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2kz5 h VAL 65 Cb 0.13 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 2kz5 h VAL 65 CO -0.01 0.14 0.24 0.03 0.02 0.00 0.00 177.57 178.00 2kz5 h ARG 66 N 0.78 0.64 0.02 1.57 3.08 -1.11 -1.01 114.38 118.34 2kz5 h ARG 66 Ca 0.38 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kz5 h ARG 66 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2kz5 h ARG 66 CO -0.23 0.48 -0.01 0.22 -1.07 0.00 0.00 179.97 179.36 2kz5 h ASP 67 N 0.64 -0.02 -0.75 7.04 3.58 -0.85 -3.21 116.42 122.85 2kz5 h ASP 67 Ca 0.17 -0.75 0.10 0.00 0.42 0.00 0.00 57.03 56.97 2kz5 h ASP 67 Cb 0.04 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.02 2kz5 h ASP 67 CO -0.03 0.77 0.39 0.40 -2.88 0.00 0.00 179.24 177.89 2kz5 h ILE 68 N -0.83 0.84 -0.78 2.25 2.04 -0.78 0.13 117.51 120.37 2kz5 h ILE 68 Ca -0.00 -0.22 0.18 0.00 1.00 0.00 0.00 64.86 65.82 2kz5 h ILE 68 Cb 0.76 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 36.87 2kz5 h ILE 68 CO 0.00 0.12 0.21 -0.09 0.00 0.00 0.00 178.15 178.39 2kz5 h ARG 69 N 0.64 0.27 -0.10 2.37 1.12 -1.29 -1.53 114.38 115.86 2kz5 h ARG 69 Ca 0.38 -0.02 -0.23 0.00 -1.11 0.00 0.00 59.98 59.00 2kz5 h ARG 69 Cb 0.41 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2kz5 h ARG 69 CO -0.28 0.18 -0.86 -0.09 -3.11 0.00 0.00 179.97 175.81 2kz5 h ARG 70 N 0.28 0.72 -0.04 0.20 2.43 -0.93 -2.21 114.38 114.84 2kz5 h ARG 70 Ca 0.46 -0.65 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2kz5 h ARG 70 Cb 0.81 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2kz5 h ARG 70 CO -0.54 1.25 -0.02 0.00 -1.51 0.00 0.00 179.97 179.14 2kz5 h ARG 71 N 0.47 -0.03 -0.44 0.20 2.47 0.08 0.32 114.38 117.46 2kz5 h ARG 71 Ca -0.07 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.51 2kz5 h ARG 71 Cb 1.49 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.81 2kz5 h ARG 71 CO 0.17 -0.02 -0.25 0.78 0.56 0.00 0.00 179.97 181.22 2kz5 h GLY 72 N -0.03 1.02 1.85 0.04 0.00 -1.42 -3.10 103.07 101.44 2kz5 h GLY 72 Ca 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 2kz5 h GLY 72 CO -0.06 0.85 -0.04 1.70 0.00 0.00 0.00 176.54 179.00 2kz5 h LYS 73 N 0.77 0.19 -0.13 4.80 1.63 -1.05 -2.40 116.57 120.38 2kz5 h LYS 73 Ca 0.09 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2kz5 h LYS 73 Cb 0.83 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2kz5 h LYS 73 CO 0.07 0.24 0.09 -0.97 -3.45 0.00 0.00 179.45 175.44 2kz5 h ASN 74 N 0.19 0.00 -0.66 4.20 -1.24 -0.28 0.18 115.58 117.97 2kz5 h ASN 74 Ca 0.04 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 2kz5 h ASN 74 Cb 0.20 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.21 2kz5 h ASN 74 CO 0.01 0.00 0.28 0.50 -1.29 0.00 0.00 177.43 176.93 2kz5 h LYS 75 N 0.00 1.00 -0.04 6.67 1.63 -1.54 0.17 116.57 124.45 2kz5 h LYS 75 Ca 0.06 -0.16 -0.23 0.00 -0.85 0.00 0.00 60.65 59.47 2kz5 h LYS 75 Cb 0.25 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2kz5 h LYS 75 CO -0.00 0.80 -0.90 0.28 -3.45 0.00 0.00 179.45 176.18 2kz5 h VAL 76 N 0.98 1.35 0.00 2.00 2.07 -1.06 -3.14 116.25 118.45 2kz5 h VAL 76 Ca 0.23 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 2kz5 h VAL 76 Cb 0.17 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2kz5 h VAL 76 CO -0.02 0.69 -0.02 0.00 0.02 0.00 0.00 177.57 178.24 2kz5 h ALA 77 N 0.66 1.79 -0.20 1.67 0.00 -0.20 0.18 119.26 123.16 2kz5 h ALA 77 Ca -0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kz5 h ALA 77 Cb 1.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2kz5 h ALA 77 CO 0.17 0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.60 2kz5 h ALA 78 N 1.98 2.11 0.04 0.00 0.00 -0.63 0.48 119.26 123.23 2kz5 h ALA 78 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 2kz5 h ALA 78 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2kz5 h ALA 78 CO 0.00 -0.26 -1.82 1.04 0.00 0.00 0.00 179.25 178.21 2kz5 n GLN 79 N -4.34 0.67 -1.02 0.00 6.02 -0.07 -4.25 117.38 114.39 2kz5 n GLN 79 Ca 0.02 0.28 -0.12 0.00 -0.01 0.00 0.00 57.00 57.17 2kz5 n GLN 79 Cb 0.30 -1.76 0.24 0.00 1.02 0.00 0.00 30.24 30.04 2kz5 n GLN 79 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kz5 n ASN 80 N -3.18 4.33 -4.71 1.08 3.02 -0.48 -4.98 115.26 110.33 2kz5 n ASN 80 Ca -0.22 -3.25 -0.42 0.00 -0.03 0.00 0.00 54.58 50.66 2kz5 n ASN 80 Cb 1.05 -0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 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 -2.89 3.48 -0.40 3.10 5.04 0.16 -4.91 117.35 120.93 2kz5 s TYR 81 Ca 0.52 1.40 -0.29 0.00 -2.44 0.00 0.00 57.07 56.26 2kz5 s TYR 81 Cb 0.42 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 39.39 2kz5 s TYR 81 CO 0.12 -0.96 1.52 0.50 -1.34 0.00 0.00 175.55 175.39 2kz5 s ARG 82 N 1.12 3.48 0.05 4.97 3.52 -1.26 -5.00 118.95 125.82 2kz5 s ARG 82 Ca 0.57 1.03 -0.27 0.00 -0.13 0.00 0.00 55.73 56.93 2kz5 s ARG 82 Cb -0.27 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 28.99 2kz5 s ARG 82 CO 0.28 -1.69 0.85 0.21 -0.81 0.00 0.00 175.30 174.15 2kz5 s LYS 83 N 5.20 4.56 0.35 5.12 2.47 -1.26 -5.05 119.74 131.13 2kz5 s LYS 83 Ca 0.66 1.22 -0.10 0.00 -1.56 0.00 0.00 55.97 56.19 2kz5 s LYS 83 Cb -0.16 -3.39 0.02 0.00 -1.46 0.00 0.00 37.83 32.85 2kz5 s LYS 83 CO 0.32 0.19 0.61 -0.98 0.16 0.00 0.00 175.35 175.66 2kz5 s ARG 84 N 0.19 1.99 -0.02 4.03 1.70 -1.26 -5.18 118.95 120.41 2kz5 s ARG 84 Ca 0.43 -1.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 2kz5 s ARG 84 Cb -0.21 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2kz5 s ARG 84 CO 0.25 -0.88 0.01 -1.59 -1.08 0.00 0.00 175.30 172.01 2kz5 s LYS 85 N -2.92 0.11 -0.28 3.89 0.00 -1.26 -5.12 119.74 114.16 2kz5 s LYS 85 Ca 0.23 0.08 -0.24 0.00 0.00 0.00 0.00 55.97 56.03 2kz5 s LYS 85 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 37.83 37.53 2kz5 s LYS 85 CO 0.15 -0.09 0.83 -1.17 0.00 0.00 0.00 175.35 175.06 2kz5 s LEU 86 N 0.70 4.07 -0.75 2.77 2.96 -1.26 -4.96 118.68 122.22 2kz5 s LEU 86 Ca -0.06 0.85 -0.25 0.00 -0.22 0.00 0.00 54.13 54.44 2kz5 s LEU 86 Cb -0.09 -3.16 -0.16 0.00 0.50 0.00 0.00 46.19 43.28 2kz5 s LEU 86 CO -0.02 -0.59 2.46 -0.62 -1.32 0.00 0.00 176.35 176.26 2kz5 n GLU 87 N 6.17 0.54 -3.34 1.98 1.02 -1.26 -4.90 120.64 120.86 2kz5 n GLU 87 Ca 0.05 -0.17 -0.38 0.00 -0.02 0.00 0.00 57.16 56.64 2kz5 n GLU 87 Cb 0.48 -2.68 -0.06 0.00 -0.02 0.00 0.00 31.44 29.15 2kz5 n GLU 87 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2kz5 s THR 88 N 10.43 5.08 -0.42 2.62 2.01 -1.26 -5.05 115.64 129.04 2kz5 s THR 88 Ca 1.11 0.98 -0.23 0.00 0.31 0.00 0.00 61.69 63.86 2kz5 s THR 88 Cb -0.54 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2kz5 s THR 88 CO 0.33 0.42 0.77 -0.63 -0.69 0.00 0.00 174.62 174.82 2kz5 s ILE 89 N -0.02 4.68 0.32 1.82 -1.09 -1.26 -5.05 121.20 120.60 2kz5 s ILE 89 Ca 0.26 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.20 2kz5 s ILE 89 Cb -0.16 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2kz5 s ILE 89 CO 0.12 -0.63 0.55 0.68 -1.23 0.00 0.00 174.94 174.44 2kz5 s VAL 90 N 3.21 5.07 -2.98 2.92 -7.23 -1.26 -5.33 120.40 114.79 2kz5 s VAL 90 Ca 0.30 -0.19 0.24 0.00 -1.81 0.00 0.00 61.98 60.52 2kz5 s VAL 90 Cb -0.12 -3.80 0.20 0.00 0.56 0.00 0.00 36.38 33.22 2kz5 s VAL 90 CO 0.21 -0.44 1.28 0.00 -0.31 0.00 0.00 175.10 175.84