#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 0.24 3.67 -5.12 0.00 -1.26 -4.96 105.19 97.76 2kz5 n GLY 2 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.51 3.41 0.02 1.61 4.02 -1.26 -4.99 115.29 116.59 2kz5 s HIS 3 Ca 0.00 1.34 -0.10 0.00 1.02 0.00 0.00 55.06 57.32 2kz5 s HIS 3 Cb 0.00 -3.10 -0.06 0.00 -1.02 0.00 0.00 32.58 28.41 2kz5 s HIS 3 CO 0.00 -0.30 1.16 0.45 1.02 0.00 0.00 174.74 177.07 2kz5 h HIS 4 N 7.35 -0.35 -4.99 1.40 -0.00 -2.10 -3.46 115.15 113.00 2kz5 h HIS 4 Ca -0.27 -0.01 -0.40 0.00 -0.00 0.00 0.00 60.37 59.69 2kz5 h HIS 4 Cb 1.12 0.12 0.02 0.00 -0.00 0.00 0.00 27.41 28.66 2kz5 h HIS 4 CO 0.73 -0.21 -0.61 1.58 -0.00 0.00 0.00 177.93 179.42 2kz5 n HIS 5 N -3.03 -2.00 -2.45 2.45 -0.00 -1.26 -4.90 115.22 104.03 2kz5 n HIS 5 Ca -0.05 0.56 -0.43 0.00 -0.00 0.00 0.00 57.72 57.81 2kz5 n HIS 5 Cb 0.15 -4.03 -0.02 0.00 -0.00 0.00 0.00 29.99 26.08 2kz5 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kz5 s HIS 6 N -3.12 2.83 -0.29 1.57 0.09 -1.26 -4.98 115.29 110.13 2kz5 s HIS 6 Ca 0.38 0.99 -0.29 0.00 -0.00 0.00 0.00 55.06 56.14 2kz5 s HIS 6 Cb -0.18 -3.66 -0.01 0.00 -0.00 0.00 0.00 32.58 28.73 2kz5 s HIS 6 CO 0.46 -1.58 1.54 -1.58 -0.00 0.00 0.00 174.74 173.58 2kz5 s HIS 7 N 3.84 2.24 -0.26 1.40 5.04 -1.26 -4.87 115.29 121.42 2kz5 s HIS 7 Ca 0.54 0.65 -0.04 0.00 -1.54 0.00 0.00 55.06 54.67 2kz5 s HIS 7 Cb -0.19 -4.05 -0.15 0.00 0.04 0.00 0.00 32.58 28.23 2kz5 s HIS 7 CO 0.17 -2.50 -0.27 0.72 -2.34 0.00 0.00 174.74 170.53 2kz5 n HIS 8 N 8.62 0.00 -3.91 3.88 -0.00 -1.26 -5.09 115.22 117.46 2kz5 n HIS 8 Ca 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.80 2kz5 n HIS 8 Cb 0.46 -0.98 -0.00 0.00 -0.00 0.00 0.00 29.99 29.47 2kz5 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kz5 s SER 9 N -6.82 0.27 -0.20 0.41 0.15 -1.26 -5.17 113.70 101.09 2kz5 s SER 9 Ca -0.36 -1.21 -0.08 0.00 0.70 0.00 0.00 55.95 55.01 2kz5 s SER 9 Cb 0.11 0.77 0.08 0.00 -1.71 0.00 0.00 66.02 65.27 2kz5 s SER 9 CO 0.55 -1.52 0.43 -2.28 1.20 0.00 0.00 173.24 171.62 2kz5 s HIS 10 N -2.74 -0.78 0.01 3.44 5.65 -1.26 -5.17 115.29 114.45 2kz5 s HIS 10 Ca 0.20 1.51 -0.10 0.00 0.25 0.00 0.00 55.06 56.92 2kz5 s HIS 10 Cb -0.03 0.32 -0.05 0.00 -1.18 0.00 0.00 32.58 31.64 2kz5 s HIS 10 CO 0.14 -0.45 0.33 0.00 -0.65 0.00 0.00 174.74 174.11 2kz5 s MET 11 N 2.28 3.72 0.18 2.88 0.00 -1.26 -5.09 119.30 122.01 2kz5 s MET 11 Ca -0.04 0.14 -0.24 0.00 0.00 0.00 0.00 55.69 55.55 2kz5 s MET 11 Cb -0.11 -3.11 0.05 0.00 0.00 0.00 0.00 34.83 31.66 2kz5 s MET 11 CO -0.13 0.65 0.85 0.00 0.00 0.00 0.00 175.02 176.39 2kz5 s ALA 12 N -1.22 -1.53 -0.44 3.16 0.00 -1.26 -5.14 121.76 115.33 2kz5 s ALA 12 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2kz5 s ALA 12 Cb -0.14 0.70 0.12 0.00 0.00 0.00 0.00 23.12 23.80 2kz5 s ALA 12 CO 0.14 -0.98 0.22 0.15 0.00 0.00 0.00 175.76 175.29 2kz5 s LYS 13 N -3.50 2.02 0.05 0.00 -0.14 -1.26 -5.10 119.74 111.81 2kz5 s LYS 13 Ca 0.10 -1.99 -0.12 0.00 -1.36 0.00 0.00 55.97 52.60 2kz5 s LYS 13 Cb -0.03 -3.54 -0.06 0.00 -1.68 0.00 0.00 37.83 32.52 2kz5 s LYS 13 CO 0.01 -1.07 0.41 -1.25 -0.76 0.00 0.00 175.35 172.69 2kz5 s PRO 14 N 0.83 3.83 0.06 -1.68 0.04 -1.26 -5.10 135.00 131.71 2kz5 s PRO 14 Ca 0.11 0.28 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 2kz5 s PRO 14 Cb -0.22 -3.07 0.09 0.00 0.04 0.00 0.00 34.50 31.34 2kz5 s PRO 14 CO -0.04 0.60 0.83 -0.08 0.04 0.00 0.00 177.00 178.35 2kz5 s THR 15 N -1.28 0.00 -0.46 1.26 -1.32 -1.26 -5.03 115.64 107.55 2kz5 s THR 15 Ca 0.30 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.53 2kz5 s THR 15 Cb -0.15 -1.13 0.06 0.00 -1.51 0.00 0.00 72.50 69.77 2kz5 s THR 15 CO 0.16 0.00 0.38 0.00 -2.21 0.00 0.00 174.62 172.96 2kz5 s ALA 16 N -3.30 3.53 -0.57 11.08 0.00 -1.26 -4.67 121.76 126.58 2kz5 s ALA 16 Ca 0.05 -2.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.74 2kz5 s ALA 16 Cb -0.01 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2kz5 s ALA 16 CO -0.08 -1.68 2.00 0.50 0.00 0.00 0.00 175.76 176.50 2kz5 s ARG 17 N 1.69 2.52 0.00 0.00 3.52 -1.26 -4.83 118.95 120.59 2kz5 s ARG 17 Ca 0.05 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 2kz5 s ARG 17 Cb -0.23 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.73 2kz5 s ARG 17 CO 0.08 -2.84 0.00 0.41 -0.81 0.00 0.00 175.30 172.14 2kz5 n GLY 18 N 5.77 -1.51 0.00 8.12 0.00 -1.26 -5.07 105.19 111.24 2kz5 n GLY 18 Ca 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2kz5 n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kz5 n GLU 19 N -0.21 0.00 -0.94 1.61 0.00 -1.26 -5.09 120.64 114.76 2kz5 n GLU 19 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kz5 n GLU 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kz5 n ALA 20 N -0.78 0.02 0.00 4.31 0.00 -1.26 -4.93 120.51 117.86 2kz5 n ALA 20 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kz5 n ALA 20 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 4.89 -0.68 3.75 0.00 0.00 -1.26 -4.79 105.19 107.10 2kz5 n GLY 21 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 4.55 0.59 1.61 0.01 -1.26 -4.87 113.70 110.33 2kz5 s SER 22 Ca 0.00 2.12 0.29 0.00 1.31 0.00 0.00 55.95 59.67 2kz5 s SER 22 Cb 0.00 -2.56 1.81 0.00 0.21 0.00 0.00 66.02 65.48 2kz5 s SER 22 CO 0.00 -2.01 2.25 0.03 0.41 0.00 0.00 173.24 173.92 2kz5 h ARG 23 N -0.36 0.00 -0.24 12.44 3.08 -2.00 -0.57 114.38 126.73 2kz5 h ARG 23 Ca -0.46 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 2kz5 h ARG 23 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2kz5 h ARG 23 CO 0.51 0.00 -0.32 0.38 -1.07 0.00 0.00 179.97 179.47 2kz5 h ASP 24 N 0.00 0.70 -0.92 7.04 3.04 -2.01 -3.09 116.42 121.19 2kz5 h ASP 24 Ca -0.00 -0.50 0.19 0.00 -3.24 0.00 0.00 57.03 53.47 2kz5 h ASP 24 Cb 0.01 -0.20 -0.11 0.00 -1.04 0.00 0.00 39.33 37.99 2kz5 h ASP 24 CO 0.00 1.07 0.49 -0.33 -2.04 0.00 0.00 179.24 178.43 2kz5 h GLU 25 N 0.35 0.58 0.00 4.15 4.39 -1.46 0.60 114.58 123.19 2kz5 h GLU 25 Ca 0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2kz5 h GLU 25 Cb 0.90 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2kz5 h GLU 25 CO 0.08 0.38 -0.07 0.00 -1.16 0.00 0.00 179.01 178.24 2kz5 h ARG 26 N 0.59 0.00 -0.21 2.33 3.08 -1.38 -1.34 114.38 117.45 2kz5 h ARG 26 Ca 0.54 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.51 2kz5 h ARG 26 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2kz5 h ARG 26 CO -0.43 0.07 -0.20 0.00 -1.07 0.00 0.00 179.97 178.35 2kz5 h ARG 27 N 0.00 0.51 0.79 0.04 -0.00 -0.85 -2.93 114.38 111.94 2kz5 h ARG 27 Ca -0.00 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.98 59.18 2kz5 h ARG 27 Cb 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 2kz5 h ARG 27 CO 0.01 0.84 -0.45 0.00 0.00 0.00 0.00 179.97 180.36 2kz5 h ALA 28 N 0.66 -1.27 0.00 0.04 0.00 -0.76 -2.37 119.26 115.56 2kz5 h ALA 28 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kz5 h ALA 28 Cb 0.74 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kz5 h ALA 28 CO 0.05 -1.22 -0.05 1.37 0.00 0.00 0.00 179.25 179.40 2kz5 h LEU 29 N -1.15 0.00 -0.47 0.00 8.10 -1.49 0.22 115.31 120.51 2kz5 h LEU 29 Ca -0.11 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.72 2kz5 h LEU 29 Cb 0.91 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.13 2kz5 h LEU 29 CO 0.13 0.05 -0.49 0.00 -4.11 0.00 0.00 178.44 174.02 2kz5 h ALA 30 N 1.95 0.64 -0.67 0.17 0.00 -1.31 -3.17 119.26 116.87 2kz5 h ALA 30 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2kz5 h ALA 30 Cb 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2kz5 h ALA 30 CO 0.01 0.68 0.18 -1.33 0.00 0.00 0.00 179.25 178.78 2kz5 n MET 31 N -4.01 3.99 -3.17 0.00 2.81 -0.84 -4.93 117.12 110.97 2kz5 n MET 31 Ca -0.03 -3.11 -0.22 0.00 -1.81 0.00 0.00 57.70 52.53 2kz5 n MET 31 Cb 0.58 -2.21 0.05 0.00 -0.71 0.00 0.00 33.22 30.93 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 0.02 -5.69 -2.74 0.03 5.02 -0.97 -4.91 118.16 108.92 2kz5 n LYS 32 Ca 0.37 0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 57.10 2kz5 n LYS 32 Cb 1.31 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 30.55 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 -3.21 4.24 -1.50 -0.18 -1.09 0.01 -4.81 121.20 114.65 2kz5 s ILE 33 Ca 0.38 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2kz5 s ILE 33 Cb -0.17 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 2kz5 s ILE 33 CO 0.47 -1.22 0.74 -0.81 -1.23 0.00 0.00 174.94 172.89 2kz5 n PRO 34 N 7.86 0.98 -4.31 2.79 -0.04 -1.26 -4.45 135.00 136.57 2kz5 n PRO 34 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 2kz5 n PRO 34 Cb 0.48 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.50 0.91 0.59 0.54 -0.71 -1.26 -4.84 117.98 111.71 2kz5 s PHE 35 Ca 0.00 -0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 55.44 2kz5 s PHE 35 Cb 0.00 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2kz5 s PHE 35 CO 0.00 -0.01 1.16 -1.25 -1.34 0.00 0.00 175.22 173.78 2kz5 s PRO 36 N -0.72 3.07 0.51 1.99 0.04 -1.26 -4.93 135.00 133.70 2kz5 s PRO 36 Ca 0.01 1.66 0.19 0.00 0.04 0.00 0.00 61.00 62.90 2kz5 s PRO 36 Cb -0.06 -1.96 1.30 0.00 0.04 0.00 0.00 34.50 33.82 2kz5 s PRO 36 CO 0.00 -1.09 2.12 1.79 0.04 0.00 0.00 177.00 179.86 2kz5 h THR 37 N 0.83 0.93 -0.25 1.26 1.35 -1.95 -1.87 112.91 113.20 2kz5 h THR 37 Ca -0.50 -0.23 0.06 0.00 -0.55 0.00 0.00 66.41 65.20 2kz5 h THR 37 Cb 1.27 1.13 -0.07 0.00 -1.73 0.00 0.00 68.15 68.75 2kz5 h THR 37 CO 0.55 0.06 -0.24 0.44 -0.25 0.00 0.00 175.52 176.09 2kz5 h ASP 38 N 0.00 -0.77 -0.70 5.36 5.19 -1.99 -0.41 116.42 123.10 2kz5 h ASP 38 Ca -0.00 0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.63 2kz5 h ASP 38 Cb 0.12 0.37 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 2kz5 h ASP 38 CO 0.01 -0.27 0.38 0.50 -3.12 0.00 0.00 179.24 176.73 2kz5 h LYS 39 N -0.24 0.65 -0.55 3.56 3.64 -1.71 0.35 116.57 122.27 2kz5 h LYS 39 Ca 0.14 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2kz5 h LYS 39 Cb 0.46 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2kz5 h LYS 39 CO -0.39 0.43 0.33 0.82 -2.27 0.00 0.00 179.45 178.37 2kz5 h ILE 40 N 0.67 1.06 0.03 2.00 2.04 -1.23 -1.48 117.51 120.60 2kz5 h ILE 40 Ca 0.33 -0.23 -0.24 0.00 1.00 0.00 0.00 64.86 65.73 2kz5 h ILE 40 Cb 0.27 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2kz5 h ILE 40 CO -0.22 0.12 -1.15 0.58 0.00 0.00 0.00 178.15 177.48 2kz5 h VAL 41 N 0.66 1.56 0.04 1.67 2.07 -0.54 -3.37 116.25 118.35 2kz5 h VAL 41 Ca 0.22 -3.25 -0.11 0.00 0.82 0.00 0.00 66.70 64.38 2kz5 h VAL 41 Cb 0.02 2.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2kz5 h VAL 41 CO -0.09 0.91 -0.47 0.78 0.02 0.00 0.00 177.57 178.72 2kz5 h ASN 42 N 0.02 0.33 -3.59 0.57 -0.26 -0.22 -3.46 115.58 108.98 2kz5 h ASN 42 Ca -0.08 -0.86 -0.53 0.00 -0.56 0.00 0.00 56.30 54.27 2kz5 h ASN 42 Cb 1.85 -0.10 0.07 0.00 -1.06 0.00 0.00 38.32 39.07 2kz5 h ASN 42 CO 0.14 1.16 0.73 -0.76 -1.06 0.00 0.00 177.43 177.65 2kz5 s LEU 43 N -8.23 4.39 1.01 1.61 1.43 -0.57 -5.02 118.68 113.30 2kz5 s LEU 43 Ca -0.15 2.74 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2kz5 s LEU 43 Cb 0.01 -3.64 0.19 0.00 0.03 0.00 0.00 46.19 42.79 2kz5 s LEU 43 CO 0.78 -0.69 1.12 -2.16 0.23 0.00 0.00 176.35 175.63 2kz5 s PRO 44 N -1.00 0.32 0.50 1.29 0.04 -1.26 -4.68 135.00 130.22 2kz5 s PRO 44 Ca 0.56 0.28 0.19 0.00 0.04 0.00 0.00 61.00 62.06 2kz5 s PRO 44 Cb -0.42 -1.75 1.25 0.00 0.04 0.00 0.00 34.50 33.63 2kz5 s PRO 44 CO 0.49 -2.75 2.05 -0.24 0.04 0.00 0.00 177.00 176.59 2kz5 h VAL 45 N -1.90 0.88 0.31 -0.36 3.04 -1.97 0.15 116.25 116.39 2kz5 h VAL 45 Ca -0.51 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2kz5 h VAL 45 Cb 1.32 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 2kz5 h VAL 45 CO 0.54 0.02 -0.39 0.44 -1.01 0.00 0.00 177.57 177.17 2kz5 h ASP 46 N 0.11 -1.09 0.46 3.17 5.19 -2.01 -0.90 116.42 121.35 2kz5 h ASP 46 Ca 0.17 0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 2kz5 h ASP 46 Cb 0.52 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2kz5 h ASP 46 CO -0.02 -0.48 -0.51 0.44 -3.12 0.00 0.00 179.24 175.55 2kz5 h ASP 47 N -0.71 0.07 -0.20 6.45 3.32 -1.82 -3.22 116.42 120.30 2kz5 h ASP 47 Ca -0.04 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2kz5 h ASP 47 Cb 0.64 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2kz5 h ASP 47 CO -0.09 0.56 0.06 0.15 -1.72 0.00 0.00 179.24 178.21 2kz5 h PHE 48 N 0.05 0.12 -0.77 4.55 3.57 -0.49 0.76 116.94 124.72 2kz5 h PHE 48 Ca -0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2kz5 h PHE 48 Cb 0.92 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2kz5 h PHE 48 CO 0.00 0.05 0.48 -0.91 -2.23 0.00 0.00 178.31 175.71 2kz5 h ASN 49 N 0.16 0.78 0.30 0.41 2.35 -1.19 -2.17 115.58 116.22 2kz5 h ASN 49 Ca 0.09 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 2kz5 h ASN 49 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2kz5 h ASN 49 CO -0.09 0.53 -0.61 -0.33 -1.65 0.00 0.00 177.43 175.28 2kz5 h GLU 50 N 0.93 0.30 0.22 0.81 4.39 -1.45 -3.02 114.58 116.76 2kz5 h GLU 50 Ca 0.31 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kz5 h GLU 50 Cb 0.05 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kz5 h GLU 50 CO -0.12 0.82 -0.13 1.25 -1.16 0.00 0.00 179.01 179.67 2kz5 h LEU 51 N 0.22 -0.32 -2.27 1.33 5.85 0.11 0.46 115.31 120.69 2kz5 h LEU 51 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kz5 h LEU 51 Cb 1.13 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2kz5 h LEU 51 CO 0.10 -0.21 0.00 -0.07 -0.34 0.00 0.00 178.44 177.92 2kz5 h LEU 52 N -0.34 0.00 0.03 2.25 3.38 -1.48 -2.36 115.31 116.79 2kz5 h LEU 52 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 2kz5 h LEU 52 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2kz5 h LEU 52 CO 0.03 0.00 -1.67 0.00 0.09 0.00 0.00 178.44 176.89 2kz5 h ALA 53 N 2.01 0.64 -0.19 1.53 0.00 -1.06 -3.39 119.26 118.80 2kz5 h ALA 53 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 54.91 53.39 2kz5 h ALA 53 Cb 0.18 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kz5 h ALA 53 CO 0.00 1.47 -0.47 0.00 0.00 0.00 0.00 179.25 180.25 2kz5 h ARG 54 N 0.02 0.65 -6.51 0.00 3.08 0.36 -3.44 114.38 108.54 2kz5 h ARG 54 Ca -0.28 -0.45 -0.53 0.00 0.07 0.00 0.00 59.98 58.80 2kz5 h ARG 54 Cb 2.00 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 32.08 2kz5 h ARG 54 CO 0.09 1.07 0.09 0.71 -1.07 0.00 0.00 179.97 180.86 2kz5 s TYR 55 N -3.96 3.70 0.00 3.04 1.51 -0.99 -4.96 117.35 115.69 2kz5 s TYR 55 Ca -0.12 1.39 -0.02 0.00 -1.01 0.00 0.00 57.07 57.31 2kz5 s TYR 55 Cb 0.07 -2.61 -0.07 0.00 -0.11 0.00 0.00 41.96 39.24 2kz5 s TYR 55 CO 0.84 0.40 2.06 -0.35 -1.11 0.00 0.00 175.55 177.39 2kz5 n PRO 56 N 0.97 1.06 -2.30 -1.71 -0.04 -1.26 -4.86 135.00 126.86 2kz5 n PRO 56 Ca -0.04 -0.27 -0.36 0.00 -0.04 0.00 0.00 63.50 62.79 2kz5 n PRO 56 Cb 0.51 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 3.90 0.42 1.53 1.43 -1.26 -5.05 118.68 119.65 2kz5 s LEU 57 Ca 0.18 2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 55.48 2kz5 s LEU 57 Cb 0.09 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 2kz5 s LEU 57 CO 0.00 -1.00 0.66 0.42 0.23 0.00 0.00 176.35 176.66 2kz5 s THR 58 N -1.68 4.61 0.29 5.49 -4.23 -1.26 -4.87 115.64 113.99 2kz5 s THR 58 Ca 0.67 -0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 2kz5 s THR 58 Cb -0.25 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.17 2kz5 s THR 58 CO 0.30 -0.54 1.69 -0.33 -0.54 0.00 0.00 174.62 175.20 2kz5 h GLU 59 N 0.47 0.38 -0.67 3.99 5.08 -1.99 0.46 114.58 122.30 2kz5 h GLU 59 Ca -0.48 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 2kz5 h GLU 59 Cb 1.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2kz5 h GLU 59 CO 0.60 0.25 0.44 0.77 -1.00 0.00 0.00 179.01 180.07 2kz5 h SER 60 N 0.39 0.58 0.03 1.42 0.02 -2.00 -1.39 113.55 112.60 2kz5 h SER 60 Ca 0.56 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.43 2kz5 h SER 60 Cb 1.08 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.51 2kz5 h SER 60 CO -0.54 0.37 -0.37 1.56 -1.14 0.00 0.00 176.83 176.71 2kz5 h GLN 61 N 0.65 0.20 -0.50 3.45 4.20 -0.50 -3.19 115.11 119.42 2kz5 h GLN 61 Ca 0.29 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kz5 h GLN 61 Cb 0.31 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 2kz5 h GLN 61 CO -0.09 1.02 0.22 -0.07 -0.67 0.00 0.00 178.83 179.24 2kz5 h LEU 62 N -0.51 0.29 -0.77 1.46 4.07 -0.94 -1.80 115.31 117.11 2kz5 h LEU 62 Ca -0.05 0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.06 2kz5 h LEU 62 Cb 1.18 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.83 2kz5 h LEU 62 CO 0.07 0.20 0.38 0.00 -1.08 0.00 0.00 178.44 178.02 2kz5 h ALA 63 N 1.30 1.10 -0.24 1.53 0.00 -1.37 -1.82 119.26 119.75 2kz5 h ALA 63 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2kz5 h ALA 63 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kz5 h ALA 63 CO -0.19 -0.06 0.06 1.25 0.00 0.00 0.00 179.25 180.31 2kz5 h LEU 64 N 0.61 0.37 -1.30 0.00 5.85 -1.39 -2.59 115.31 116.86 2kz5 h LEU 64 Ca 0.40 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 59.03 2kz5 h LEU 64 Cb 0.48 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2kz5 h LEU 64 CO -0.31 0.50 0.57 0.58 -0.34 0.00 0.00 178.44 179.44 2kz5 h VAL 65 N 0.22 0.84 -0.20 1.05 2.07 -0.72 0.45 116.25 119.97 2kz5 h VAL 65 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2kz5 h VAL 65 Cb 0.27 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2kz5 h VAL 65 CO 0.00 0.12 0.09 0.03 0.02 0.00 0.00 177.57 177.83 2kz5 h ARG 66 N 0.68 0.29 -0.74 1.57 3.08 -1.12 -1.46 114.38 116.68 2kz5 h ARG 66 Ca 0.44 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 2kz5 h ARG 66 Cb 0.70 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 2kz5 h ARG 66 CO -0.20 0.34 0.45 0.22 -1.07 0.00 0.00 179.97 179.72 2kz5 h ASP 67 N 0.17 0.89 -0.41 7.04 3.58 -0.77 -0.57 116.42 126.35 2kz5 h ASP 67 Ca 0.07 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2kz5 h ASP 67 Cb 0.15 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2kz5 h ASP 67 CO -0.01 0.69 0.24 0.40 -2.88 0.00 0.00 179.24 177.68 2kz5 h ILE 68 N 1.01 1.14 -0.46 2.25 2.04 -0.89 -0.39 117.51 122.22 2kz5 h ILE 68 Ca 0.27 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2kz5 h ILE 68 Cb -0.04 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2kz5 h ILE 68 CO -0.05 0.15 0.29 -0.09 0.00 0.00 0.00 178.15 178.45 2kz5 h ARG 69 N 0.54 0.62 0.40 2.37 2.43 -0.94 0.25 114.38 120.05 2kz5 h ARG 69 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2kz5 h ARG 69 Cb 0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2kz5 h ARG 69 CO -0.03 0.43 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.58 2kz5 h ARG 70 N 0.62 -0.52 -0.12 0.20 9.65 -0.89 -1.59 114.38 121.72 2kz5 h ARG 70 Ca 0.17 0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.96 2kz5 h ARG 70 Cb -0.04 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2kz5 h ARG 70 CO -0.03 -0.29 -0.45 0.00 2.80 0.00 0.00 179.97 181.99 2kz5 h ARG 71 N -0.65 0.29 -0.04 0.20 3.08 -1.06 -1.48 114.38 114.72 2kz5 h ARG 71 Ca -0.06 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2kz5 h ARG 71 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2kz5 h ARG 71 CO 0.09 0.69 -0.01 0.78 -1.07 0.00 0.00 179.97 180.45 2kz5 h GLY 72 N 1.25 0.08 2.00 0.04 0.00 -0.48 -3.14 103.07 102.82 2kz5 h GLY 72 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2kz5 h GLY 72 CO 0.07 0.06 -0.06 1.70 0.00 0.00 0.00 176.54 178.31 2kz5 h LYS 73 N -0.28 0.00 -0.74 4.80 3.64 -1.31 -2.94 116.57 119.73 2kz5 h LYS 73 Ca 0.01 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 2kz5 h LYS 73 Cb 0.40 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2kz5 h LYS 73 CO 0.00 0.06 0.50 -0.97 -2.27 0.00 0.00 179.45 176.77 2kz5 h ASN 74 N 0.00 0.40 -0.66 4.20 -0.73 -1.22 -0.82 115.58 116.76 2kz5 h ASN 74 Ca -0.00 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 2kz5 h ASN 74 Cb 0.77 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 2kz5 h ASN 74 CO 0.01 0.21 0.39 0.50 -0.37 0.00 0.00 177.43 178.17 2kz5 h LYS 75 N 0.43 0.91 0.00 6.67 3.64 -1.57 -2.23 116.57 124.42 2kz5 h LYS 75 Ca 0.36 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 2kz5 h LYS 75 Cb 0.81 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2kz5 h LYS 75 CO -0.12 0.66 -0.91 -0.24 -2.27 0.00 0.00 179.45 176.58 2kz5 h VAL 76 N 0.90 1.64 0.00 2.00 3.04 -1.55 -3.18 116.25 119.11 2kz5 h VAL 76 Ca 0.24 -3.13 0.00 0.00 -1.01 0.00 0.00 66.70 62.80 2kz5 h VAL 76 Cb -0.01 2.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2kz5 h VAL 76 CO -0.04 0.89 0.00 0.00 -1.01 0.00 0.00 177.57 177.41 2kz5 n ALA 77 N -2.36 1.80 0.26 3.17 0.00 -0.38 -3.08 120.51 119.91 2kz5 n ALA 77 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2kz5 n ALA 77 Cb 0.87 -1.26 0.67 0.00 0.00 0.00 0.00 19.45 19.72 2kz5 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kz5 h ALA 78 N 2.63 1.71 -0.14 0.00 0.00 -1.39 -1.08 119.26 121.00 2kz5 h ALA 78 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2kz5 h ALA 78 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kz5 h ALA 78 CO 0.00 0.09 -0.21 -0.56 0.00 0.00 0.00 179.25 178.57 2kz5 h GLN 79 N 0.00 0.38 -0.31 0.00 3.07 -1.79 -3.06 115.11 113.40 2kz5 h GLN 79 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2kz5 h GLN 79 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.73 2kz5 h GLN 79 CO 0.01 0.82 0.00 0.27 0.09 0.00 0.00 178.83 180.02 2kz5 n ASN 80 N -4.49 1.46 0.21 0.06 6.94 -1.05 -3.76 115.26 114.63 2kz5 n ASN 80 Ca -0.07 -2.03 0.07 0.00 -0.02 0.00 0.00 54.58 52.53 2kz5 n ASN 80 Cb 0.42 -0.21 0.43 0.00 -2.36 0.00 0.00 39.78 38.06 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2kz5 h TYR 81 N 1.45 0.00 -2.85 -2.53 3.20 -1.09 -3.42 116.97 111.72 2kz5 h TYR 81 Ca 0.00 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.32 2kz5 h TYR 81 Cb 0.40 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2kz5 h TYR 81 CO 0.19 0.31 1.10 1.03 -1.64 0.00 0.00 178.16 179.15 2kz5 s ARG 82 N -3.82 3.32 0.11 1.82 1.81 -1.25 -4.94 118.95 116.00 2kz5 s ARG 82 Ca -0.01 0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 54.51 2kz5 s ARG 82 Cb 0.12 -4.12 0.00 0.00 -0.45 0.00 0.00 34.95 30.50 2kz5 s ARG 82 CO 0.67 -1.91 0.16 0.36 -0.68 0.00 0.00 175.30 173.90 2kz5 n LYS 83 N 8.60 0.23 -2.01 3.54 2.85 -1.26 -5.13 118.16 124.99 2kz5 n LYS 83 Ca 0.13 -0.84 -0.42 0.00 -1.05 0.00 0.00 58.31 56.13 2kz5 n LYS 83 Cb 0.49 0.83 -0.03 0.00 -0.65 0.00 0.00 35.03 35.67 2kz5 n LYS 83 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kz5 s ARG 84 N -2.22 4.23 -1.10 -1.58 0.52 -1.26 -4.93 118.95 112.61 2kz5 s ARG 84 Ca 0.08 2.23 -0.22 0.00 -0.52 0.00 0.00 55.73 57.31 2kz5 s ARG 84 Cb -0.00 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2kz5 s ARG 84 CO 0.06 -0.67 1.75 0.21 0.02 0.00 0.00 175.30 176.67 2kz5 s LYS 85 N 2.36 3.21 0.77 3.54 2.20 -1.26 -4.98 119.74 125.59 2kz5 s LYS 85 Ca 0.71 -1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.04 2kz5 s LYS 85 Cb -0.38 -5.31 0.06 0.00 -1.51 0.00 0.00 37.83 30.69 2kz5 s LYS 85 CO 0.31 -2.89 1.10 -0.51 -0.36 0.00 0.00 175.35 173.00 2kz5 s LEU 86 N 7.30 3.07 -1.02 5.43 1.43 -1.26 -4.87 118.68 128.75 2kz5 s LEU 86 Ca 0.59 1.90 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 2kz5 s LEU 86 Cb -0.01 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 2kz5 s LEU 86 CO 0.02 -2.10 2.04 -1.61 0.23 0.00 0.00 176.35 174.93 2kz5 s GLU 87 N -4.74 2.14 -0.14 1.70 2.02 -1.26 -4.70 118.70 113.71 2kz5 s GLU 87 Ca 0.63 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 55.16 2kz5 s GLU 87 Cb -0.18 -5.07 0.45 0.00 0.10 0.00 0.00 34.13 29.42 2kz5 s GLU 87 CO 0.54 -4.16 1.21 2.41 0.02 0.00 0.00 175.26 175.28 2kz5 n THR 88 N 8.20 1.57 0.00 3.63 -1.04 -1.26 -4.91 114.28 120.46 2kz5 n THR 88 Ca 0.43 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2kz5 n THR 88 Cb 0.46 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 2kz5 n THR 88 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2kz5 n ILE 89 N 0.30 0.00 -1.84 12.58 5.41 -1.26 -4.95 119.36 129.61 2kz5 n ILE 89 Ca 0.16 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.52 2kz5 n ILE 89 Cb 0.80 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.75 2kz5 n ILE 89 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2kz5 s VAL 90 N 0.00 2.16 -2.00 1.39 -7.23 -1.26 -5.29 120.40 108.17 2kz5 s VAL 90 Ca 0.00 0.14 0.27 0.00 -1.81 0.00 0.00 61.98 60.58 2kz5 s VAL 90 Cb 0.00 -3.08 0.77 0.00 0.56 0.00 0.00 36.38 34.63 2kz5 s VAL 90 CO 0.00 0.01 1.96 0.00 -0.31 0.00 0.00 175.10 176.77