#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 0.97 3.68 -5.12 0.00 -1.26 -4.95 105.19 98.51 2kz5 n GLY 2 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 2kz5 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kz5 s HIS 3 N 0.00 3.30 0.45 1.61 0.00 -1.26 -5.11 115.29 114.28 2kz5 s HIS 3 Ca 0.00 0.16 0.08 0.00 -3.00 0.00 0.00 55.06 52.30 2kz5 s HIS 3 Cb 0.00 -2.04 0.00 0.00 -4.00 0.00 0.00 32.58 26.54 2kz5 s HIS 3 CO 0.00 0.27 0.45 -3.38 -1.00 0.00 0.00 174.74 171.07 2kz5 s HIS 4 N 0.08 2.41 -0.28 0.38 -0.00 -1.26 -5.12 115.29 111.50 2kz5 s HIS 4 Ca 0.06 -0.56 -0.01 0.00 -0.00 0.00 0.00 55.06 54.55 2kz5 s HIS 4 Cb -0.12 -2.16 0.05 0.00 -0.00 0.00 0.00 32.58 30.35 2kz5 s HIS 4 CO 0.00 -0.32 -0.03 -3.38 -0.00 0.00 0.00 174.74 171.01 2kz5 s HIS 5 N -2.53 3.23 0.72 0.38 0.00 -1.26 -5.12 115.29 110.71 2kz5 s HIS 5 Ca 0.48 -1.90 -0.11 0.00 -3.00 0.00 0.00 55.06 50.53 2kz5 s HIS 5 Cb -0.04 -2.06 0.02 0.00 -4.00 0.00 0.00 32.58 26.50 2kz5 s HIS 5 CO 0.29 -0.81 1.07 -3.38 -1.00 0.00 0.00 174.74 170.91 2kz5 s HIS 6 N 1.24 3.10 -0.07 0.38 -0.00 -1.26 -5.07 115.29 113.61 2kz5 s HIS 6 Ca -0.05 1.31 0.02 0.00 -0.00 0.00 0.00 55.06 56.34 2kz5 s HIS 6 Cb -0.19 -2.94 0.01 0.00 -0.00 0.00 0.00 32.58 29.45 2kz5 s HIS 6 CO -0.02 -1.33 -0.13 -3.38 -0.00 0.00 0.00 174.74 169.87 2kz5 s HIS 7 N -3.11 1.57 0.06 0.38 0.00 -1.26 -5.14 115.29 107.78 2kz5 s HIS 7 Ca 0.58 -0.59 0.03 0.00 -3.00 0.00 0.00 55.06 52.09 2kz5 s HIS 7 Cb -0.14 -1.13 -0.04 0.00 -4.00 0.00 0.00 32.58 27.27 2kz5 s HIS 7 CO 0.54 -0.29 0.02 -3.38 -1.00 0.00 0.00 174.74 170.64 2kz5 s HIS 8 N 0.62 3.08 -0.30 0.38 0.00 -1.26 -5.10 115.29 112.71 2kz5 s HIS 8 Ca -0.15 0.04 -0.07 0.00 -3.00 0.00 0.00 55.06 51.88 2kz5 s HIS 8 Cb -0.16 -1.61 0.18 0.00 -4.00 0.00 0.00 32.58 27.00 2kz5 s HIS 8 CO 0.04 0.49 0.89 0.45 -1.00 0.00 0.00 174.74 175.61 2kz5 s SER 9 N -2.08 -0.81 0.19 7.38 0.15 -1.26 -5.17 113.70 112.09 2kz5 s SER 9 Ca 0.25 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 2kz5 s SER 9 Cb -0.12 1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 65.76 2kz5 s SER 9 CO 0.17 -0.15 0.38 -1.00 1.20 0.00 0.00 173.24 173.83 2kz5 s HIS 10 N 2.92 3.48 -0.71 3.44 0.09 -1.26 -5.04 115.29 118.22 2kz5 s HIS 10 Ca 0.12 0.35 -0.26 0.00 -0.00 0.00 0.00 55.06 55.27 2kz5 s HIS 10 Cb -0.09 -1.86 -0.00 0.00 -0.00 0.00 0.00 32.58 30.63 2kz5 s HIS 10 CO -0.18 0.40 1.66 -1.64 -0.00 0.00 0.00 174.74 174.98 2kz5 s MET 11 N -3.20 2.85 -0.33 1.40 1.00 -1.26 -4.95 119.30 114.81 2kz5 s MET 11 Ca 0.38 0.14 -0.29 0.00 0.00 0.00 0.00 55.69 55.93 2kz5 s MET 11 Cb -0.11 -4.46 -0.01 0.00 0.00 0.00 0.00 34.83 30.26 2kz5 s MET 11 CO 0.28 -2.59 1.55 0.00 0.00 0.00 0.00 175.02 174.26 2kz5 s ALA 12 N 7.88 3.09 -0.38 3.03 0.00 -1.26 -3.95 121.76 130.17 2kz5 s ALA 12 Ca 0.56 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 2kz5 s ALA 12 Cb -0.10 -3.92 0.02 0.00 0.00 0.00 0.00 23.12 19.12 2kz5 s ALA 12 CO 0.15 -2.29 0.53 1.63 0.00 0.00 0.00 175.76 175.78 2kz5 n LYS 13 N 7.99 -2.10 -1.44 0.00 4.76 -1.26 -4.90 118.16 121.21 2kz5 n LYS 13 Ca 0.18 1.93 -0.31 0.00 -2.87 0.00 0.00 58.31 57.25 2kz5 n LYS 13 Cb 0.47 -5.20 -0.06 0.00 -1.84 0.00 0.00 35.03 28.40 2kz5 n LYS 13 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2kz5 n PRO 14 N -0.33 3.33 -1.61 1.97 -0.04 -1.25 -4.94 135.00 132.13 2kz5 n PRO 14 Ca 0.11 -2.26 -0.30 0.00 -0.04 0.00 0.00 63.50 61.00 2kz5 n PRO 14 Cb 0.41 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 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 0.36 3.04 0.47 0.52 2.01 -1.26 -4.94 115.64 115.84 2kz5 s THR 15 Ca 0.64 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 2kz5 s THR 15 Cb 0.25 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.55 2kz5 s THR 15 CO -0.08 -0.10 0.99 0.00 -0.69 0.00 0.00 174.62 174.73 2kz5 s ALA 16 N 12.60 2.98 -0.28 7.40 0.00 -1.26 -5.04 121.76 138.16 2kz5 s ALA 16 Ca 0.93 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 2kz5 s ALA 16 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2kz5 s ALA 16 CO 0.20 -0.09 0.45 0.50 0.00 0.00 0.00 175.76 176.82 2kz5 s ARG 17 N -3.35 3.97 -1.40 0.00 6.06 -1.26 -5.00 118.95 117.97 2kz5 s ARG 17 Ca 0.63 0.11 -0.15 0.00 -2.50 0.00 0.00 55.73 53.82 2kz5 s ARG 17 Cb -0.12 -3.68 0.03 0.00 0.06 0.00 0.00 34.95 31.25 2kz5 s ARG 17 CO 0.18 -0.36 2.15 0.41 -2.50 0.00 0.00 175.30 175.18 2kz5 n GLY 18 N 4.59 4.07 3.56 8.12 0.00 -1.26 -4.93 105.19 119.33 2kz5 n GLY 18 Ca -0.06 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 3.45 2.85 -0.32 1.61 2.02 -1.26 -4.94 118.70 122.11 2kz5 s GLU 19 Ca 0.49 0.46 -0.01 0.00 0.02 0.00 0.00 54.97 55.92 2kz5 s GLU 19 Cb 0.13 -4.31 0.10 0.00 0.10 0.00 0.00 34.13 30.15 2kz5 s GLU 19 CO -0.06 -2.48 0.12 0.00 0.02 0.00 0.00 175.26 172.86 2kz5 s ALA 20 N 7.95 1.42 0.00 5.21 0.00 -1.26 -4.98 121.76 130.09 2kz5 s ALA 20 Ca 0.59 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kz5 s ALA 20 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2kz5 s ALA 20 CO 0.21 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2kz5 n GLY 21 N 4.77 1.47 3.62 0.00 0.00 -1.26 -4.99 105.19 108.79 2kz5 n GLY 21 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.00 2.08 0.14 1.61 0.01 -1.26 -4.93 113.70 110.36 2kz5 s SER 22 Ca 0.00 1.30 -0.15 0.00 1.31 0.00 0.00 55.95 58.41 2kz5 s SER 22 Cb 0.00 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.25 2kz5 s SER 22 CO 0.00 -3.48 1.68 -0.09 0.41 0.00 0.00 173.24 171.76 2kz5 h ARG 23 N -2.13 0.69 -0.02 12.44 2.43 -2.03 -2.56 114.38 123.20 2kz5 h ARG 23 Ca -0.57 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 2kz5 h ARG 23 Cb 1.33 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2kz5 h ARG 23 CO 0.55 0.64 0.02 -0.44 -1.51 0.00 0.00 179.97 179.24 2kz5 h ASP 24 N 0.60 0.00 -0.75 -3.80 5.19 -2.00 -2.08 116.42 113.57 2kz5 h ASP 24 Ca 0.15 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.65 2kz5 h ASP 24 Cb 0.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 2kz5 h ASP 24 CO -0.01 0.00 0.49 -0.33 -3.12 0.00 0.00 179.24 176.27 2kz5 h GLU 25 N 0.00 0.68 -0.22 3.56 4.39 -1.81 0.21 114.58 121.39 2kz5 h GLU 25 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2kz5 h GLU 25 Cb 0.05 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2kz5 h GLU 25 CO -0.00 0.45 0.07 0.00 -1.16 0.00 0.00 179.01 178.37 2kz5 h ARG 26 N 0.70 0.33 -1.00 2.33 -0.00 -1.52 -1.26 114.38 113.97 2kz5 h ARG 26 Ca 0.34 -0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.82 2kz5 h ARG 26 Cb 0.40 -0.05 -0.07 0.00 0.00 0.00 0.00 29.97 30.25 2kz5 h ARG 26 CO -0.12 0.42 0.65 0.00 0.00 0.00 0.00 179.97 180.91 2kz5 h ARG 27 N 0.18 1.13 0.15 0.04 3.08 -1.29 0.28 114.38 117.95 2kz5 h ARG 27 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2kz5 h ARG 27 Cb 0.22 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2kz5 h ARG 27 CO -0.00 0.74 -0.07 0.00 -1.07 0.00 0.00 179.97 179.57 2kz5 h ALA 28 N 1.47 -0.20 0.00 0.04 0.00 -0.30 -2.48 119.26 117.78 2kz5 h ALA 28 Ca 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2kz5 h ALA 28 Cb 0.20 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kz5 h ALA 28 CO -0.18 -0.51 -0.05 1.37 0.00 0.00 0.00 179.25 179.88 2kz5 h LEU 29 N -0.40 0.00 -0.33 0.00 8.10 -1.11 0.11 115.31 121.67 2kz5 h LEU 29 Ca -0.02 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.78 2kz5 h LEU 29 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kz5 h LEU 29 CO 0.03 0.05 -0.57 0.00 -4.11 0.00 0.00 178.44 173.84 2kz5 h ALA 30 N 1.95 0.50 -0.03 0.17 0.00 -0.83 -3.21 119.26 117.81 2kz5 h ALA 30 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kz5 h ALA 30 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kz5 h ALA 30 CO 0.01 0.69 -0.06 -1.33 0.00 0.00 0.00 179.25 178.55 2kz5 n MET 31 N -3.99 2.15 -2.77 0.00 2.81 -0.94 -5.03 117.12 109.35 2kz5 n MET 31 Ca -0.04 -1.76 -0.06 0.00 -1.81 0.00 0.00 57.70 54.02 2kz5 n MET 31 Cb 0.64 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.69 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 1.11 -1.99 -3.21 0.03 5.02 0.19 -5.00 118.16 114.31 2kz5 n LYS 32 Ca 0.14 1.88 -0.41 0.00 -2.02 0.00 0.00 58.31 57.90 2kz5 n LYS 32 Cb 0.57 -5.35 -0.07 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.58 5.02 -0.20 -0.18 -1.09 -0.13 -4.98 121.20 117.07 2kz5 s ILE 33 Ca 0.18 0.72 0.01 0.00 -2.23 0.00 0.00 60.65 59.34 2kz5 s ILE 33 Cb -0.05 -3.90 0.12 0.00 -1.58 0.00 0.00 42.46 37.05 2kz5 s ILE 33 CO 0.70 -0.05 1.10 -0.81 -1.23 0.00 0.00 174.94 174.65 2kz5 n PRO 34 N 5.67 1.29 -3.53 2.79 -0.04 -1.26 -4.84 135.00 135.10 2kz5 n PRO 34 Ca -0.04 -0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 2kz5 n PRO 34 Cb 0.49 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.70 -0.49 0.31 0.54 -0.71 -1.26 -5.15 117.98 110.52 2kz5 s PHE 35 Ca 0.10 0.54 -0.29 0.00 -1.04 0.00 0.00 56.93 56.24 2kz5 s PHE 35 Cb 0.08 0.41 -0.11 0.00 -1.21 0.00 0.00 43.02 42.19 2kz5 s PHE 35 CO 0.02 -0.69 1.52 -1.25 -1.34 0.00 0.00 175.22 173.48 2kz5 s PRO 36 N -2.59 4.16 0.22 1.99 0.04 -1.26 -4.94 135.00 132.62 2kz5 s PRO 36 Ca -0.04 2.50 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 2kz5 s PRO 36 Cb -0.01 -3.03 0.20 0.00 0.04 0.00 0.00 34.50 31.70 2kz5 s PRO 36 CO -0.03 -0.54 1.69 1.79 0.04 0.00 0.00 177.00 179.96 2kz5 h THR 37 N 3.29 1.26 -0.71 1.26 1.35 -1.99 -2.94 112.91 114.42 2kz5 h THR 37 Ca -0.48 -1.11 0.09 0.00 -0.55 0.00 0.00 66.41 64.36 2kz5 h THR 37 Cb 1.22 0.87 -0.07 0.00 -1.73 0.00 0.00 68.15 68.45 2kz5 h THR 37 CO 0.74 0.40 0.36 -2.24 -0.25 0.00 0.00 175.52 174.53 2kz5 h ASP 38 N 0.85 0.48 -0.94 5.36 2.03 -2.01 -1.24 116.42 120.94 2kz5 h ASP 38 Ca 0.15 0.06 0.10 0.00 -0.73 0.00 0.00 57.03 56.61 2kz5 h ASP 38 Cb 0.53 -0.02 -0.07 0.00 -0.83 0.00 0.00 39.33 38.94 2kz5 h ASP 38 CO 0.03 0.27 0.60 0.50 -1.03 0.00 0.00 179.24 179.62 2kz5 h LYS 39 N 0.62 0.92 -0.79 4.15 3.64 -1.91 -0.63 116.57 122.56 2kz5 h LYS 39 Ca 0.35 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.81 2kz5 h LYS 39 Cb 0.36 -0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 2kz5 h LYS 39 CO -0.26 0.61 0.39 0.82 -2.27 0.00 0.00 179.45 178.73 2kz5 h ILE 40 N 0.95 0.74 0.00 2.00 2.04 -1.24 -1.46 117.51 120.55 2kz5 h ILE 40 Ca 0.44 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.91 2kz5 h ILE 40 Cb 0.42 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2kz5 h ILE 40 CO -0.20 0.11 -1.43 0.58 0.00 0.00 0.00 178.15 177.21 2kz5 h VAL 41 N 0.58 0.62 0.00 1.67 2.07 -1.31 -3.38 116.25 116.50 2kz5 h VAL 41 Ca 0.42 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2kz5 h VAL 41 Cb 0.57 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2kz5 h VAL 41 CO -0.35 0.35 -0.82 0.59 0.02 0.00 0.00 177.57 177.36 2kz5 n ASN 42 N -2.95 0.63 -4.80 0.57 3.02 -0.33 -4.88 115.26 106.52 2kz5 n ASN 42 Ca -0.10 -0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 53.96 2kz5 n ASN 42 Cb 0.88 0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 40.51 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 -3.87 4.33 1.02 3.41 1.43 -0.57 -5.05 118.68 119.37 2kz5 s LEU 43 Ca 0.06 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 2kz5 s LEU 43 Cb 0.15 -3.78 0.20 0.00 0.03 0.00 0.00 46.19 42.78 2kz5 s LEU 43 CO 0.76 -0.02 1.08 -2.16 0.23 0.00 0.00 176.35 176.24 2kz5 s PRO 44 N -2.03 0.25 0.25 1.29 0.04 -1.26 -4.72 135.00 128.82 2kz5 s PRO 44 Ca 0.46 0.78 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 2kz5 s PRO 44 Cb -0.17 -1.70 0.40 0.00 0.04 0.00 0.00 34.50 33.07 2kz5 s PRO 44 CO 0.22 -2.92 1.84 -0.24 0.04 0.00 0.00 177.00 175.94 2kz5 h VAL 45 N -2.04 1.00 0.54 -0.36 3.04 -1.98 -0.85 116.25 115.59 2kz5 h VAL 45 Ca -0.55 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.79 2kz5 h VAL 45 Cb 1.31 -0.05 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2kz5 h VAL 45 CO 0.53 0.18 -0.26 -0.78 -1.01 0.00 0.00 177.57 176.23 2kz5 h ASP 46 N 0.97 -0.61 -0.82 3.17 3.58 -2.00 -1.04 116.42 119.67 2kz5 h ASP 46 Ca 0.41 -0.05 0.17 0.00 0.42 0.00 0.00 57.03 57.98 2kz5 h ASP 46 Cb 0.27 0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 2kz5 h ASP 46 CO -0.21 -0.24 0.55 0.44 -2.88 0.00 0.00 179.24 176.90 2kz5 h ASP 47 N -1.04 0.38 -0.29 2.28 5.19 -1.90 0.25 116.42 121.29 2kz5 h ASP 47 Ca -0.07 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 2kz5 h ASP 47 Cb 0.63 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2kz5 h ASP 47 CO 0.12 0.18 0.11 0.15 -3.12 0.00 0.00 179.24 176.68 2kz5 h PHE 48 N 0.40 0.45 -0.43 4.55 3.57 -1.01 0.12 116.94 124.59 2kz5 h PHE 48 Ca 0.41 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.92 2kz5 h PHE 48 Cb 1.01 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2kz5 h PHE 48 CO -0.00 0.45 0.19 -0.91 -2.23 0.00 0.00 178.31 175.81 2kz5 h ASN 49 N 0.31 0.25 0.01 0.41 2.35 0.39 -1.62 115.58 117.69 2kz5 h ASN 49 Ca 0.10 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2kz5 h ASN 49 Cb 0.20 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2kz5 h ASN 49 CO -0.01 0.19 -0.31 -0.33 -1.65 0.00 0.00 177.43 175.32 2kz5 h GLU 50 N 0.39 0.44 -0.23 0.81 4.39 -1.23 -2.81 114.58 116.34 2kz5 h GLU 50 Ca 0.19 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2kz5 h GLU 50 Cb 0.13 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2kz5 h GLU 50 CO -0.16 0.71 -0.06 1.25 -1.16 0.00 0.00 179.01 179.59 2kz5 h LEU 51 N 0.38 -0.21 -1.33 1.33 5.85 -0.07 0.11 115.31 121.37 2kz5 h LEU 51 Ca 0.05 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2kz5 h LEU 51 Cb 0.74 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2kz5 h LEU 51 CO 0.06 -0.08 0.48 -0.07 -0.34 0.00 0.00 178.44 178.50 2kz5 h LEU 52 N -0.00 0.74 -0.44 2.25 3.38 -1.20 -2.32 115.31 117.73 2kz5 h LEU 52 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2kz5 h LEU 52 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kz5 h LEU 52 CO -0.24 0.50 -0.37 0.00 0.09 0.00 0.00 178.44 178.43 2kz5 h ALA 53 N 1.58 0.84 -0.01 1.53 0.00 -1.05 -3.21 119.26 118.94 2kz5 h ALA 53 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kz5 h ALA 53 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kz5 h ALA 53 CO -0.09 0.46 -0.09 0.54 0.00 0.00 0.00 179.25 180.07 2kz5 n ARG 54 N -3.30 0.88 -4.33 0.00 1.74 0.29 -4.87 116.66 107.07 2kz5 n ARG 54 Ca 0.01 -0.33 -0.24 0.00 -0.77 0.00 0.00 57.85 56.53 2kz5 n ARG 54 Cb 0.60 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.35 1.73 0.00 -1.55 2.02 -1.18 -5.04 117.35 110.98 2kz5 s TYR 55 Ca 0.32 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2kz5 s TYR 55 Cb 0.20 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 2kz5 s TYR 55 CO 0.44 0.17 1.93 -2.30 -1.57 0.00 0.00 175.55 174.23 2kz5 n PRO 56 N 1.24 0.99 -2.23 -1.71 -0.02 -1.26 -4.92 135.00 127.08 2kz5 n PRO 56 Ca -0.19 -0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.68 2kz5 n PRO 56 Cb 0.54 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 2kz5 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kz5 s LEU 57 N 0.00 4.44 0.69 2.45 1.43 -1.26 -5.02 118.68 121.41 2kz5 s LEU 57 Ca 0.13 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.56 2kz5 s LEU 57 Cb 0.06 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.67 2kz5 s LEU 57 CO 0.00 -0.47 1.08 0.42 0.23 0.00 0.00 176.35 177.61 2kz5 s THR 58 N -0.41 3.59 0.35 5.49 -4.23 -1.26 -4.79 115.64 114.38 2kz5 s THR 58 Ca 0.53 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 61.76 2kz5 s THR 58 Cb -0.37 -3.17 0.34 0.00 1.34 0.00 0.00 72.50 70.64 2kz5 s THR 58 CO 0.42 -0.59 1.76 -0.33 -0.54 0.00 0.00 174.62 175.34 2kz5 h GLU 59 N -0.48 0.53 -0.60 3.99 5.08 -2.00 0.42 114.58 121.51 2kz5 h GLU 59 Ca -0.45 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 2kz5 h GLU 59 Cb 1.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2kz5 h GLU 59 CO 0.54 0.35 0.03 1.03 -1.00 0.00 0.00 179.01 179.96 2kz5 h SER 60 N 0.54 0.99 -0.50 1.42 0.87 -2.00 -2.86 113.55 112.01 2kz5 h SER 60 Ca 0.61 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2kz5 h SER 60 Cb 1.27 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2kz5 h SER 60 CO -0.39 1.03 0.02 1.56 -0.53 0.00 0.00 176.83 178.53 2kz5 h GLN 61 N 0.94 0.87 -0.92 2.24 4.20 -0.56 -1.14 115.11 120.73 2kz5 h GLN 61 Ca 0.18 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.69 2kz5 h GLN 61 Cb 0.51 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 2kz5 h GLN 61 CO 0.02 0.89 0.58 -0.07 -0.67 0.00 0.00 178.83 179.59 2kz5 h LEU 62 N 0.73 0.92 -0.54 1.46 4.07 -1.19 0.94 115.31 121.70 2kz5 h LEU 62 Ca 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2kz5 h LEU 62 Cb 0.48 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 2kz5 h LEU 62 CO 0.02 0.58 0.30 0.00 -1.08 0.00 0.00 178.44 178.26 2kz5 h ALA 63 N 1.43 0.69 0.03 1.53 0.00 -1.25 -1.10 119.26 120.61 2kz5 h ALA 63 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kz5 h ALA 63 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kz5 h ALA 63 CO -0.18 0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.52 2kz5 h LEU 64 N 0.73 -0.04 -0.53 0.00 5.85 -0.33 0.60 115.31 121.59 2kz5 h LEU 64 Ca 0.19 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2kz5 h LEU 64 Cb 0.05 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2kz5 h LEU 64 CO -0.03 0.07 0.24 0.58 -0.34 0.00 0.00 178.44 178.96 2kz5 h VAL 65 N -0.15 0.89 -0.62 1.05 2.07 -0.78 0.22 116.25 118.94 2kz5 h VAL 65 Ca -0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2kz5 h VAL 65 Cb 0.13 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2kz5 h VAL 65 CO 0.01 0.08 0.28 0.03 0.02 0.00 0.00 177.57 177.99 2kz5 h ARG 66 N 0.45 0.88 -0.23 1.57 3.08 -1.07 -2.29 114.38 116.78 2kz5 h ARG 66 Ca 0.25 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 2kz5 h ARG 66 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2kz5 h ARG 66 CO -0.21 0.70 -0.08 0.22 -1.07 0.00 0.00 179.97 179.53 2kz5 h ASP 67 N 0.87 0.46 -0.43 7.04 3.58 0.36 0.13 116.42 128.44 2kz5 h ASP 67 Ca 0.21 -0.38 0.07 0.00 0.42 0.00 0.00 57.03 57.35 2kz5 h ASP 67 Cb 0.12 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2kz5 h ASP 67 CO -0.02 0.74 0.07 0.40 -2.88 0.00 0.00 179.24 177.54 2kz5 h ILE 68 N 0.18 0.75 -0.83 2.25 2.04 -0.44 0.21 117.51 121.67 2kz5 h ILE 68 Ca 0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2kz5 h ILE 68 Cb 0.55 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2kz5 h ILE 68 CO 0.03 0.04 0.46 -0.09 0.00 0.00 0.00 178.15 178.58 2kz5 h ARG 69 N 0.19 1.16 -0.52 2.37 2.43 -1.38 -2.25 114.38 116.39 2kz5 h ARG 69 Ca 0.21 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2kz5 h ARG 69 Cb 0.27 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2kz5 h ARG 69 CO -0.29 0.86 0.33 -0.09 -1.51 0.00 0.00 179.97 179.27 2kz5 h ARG 70 N 1.16 0.70 -0.25 0.20 2.43 0.53 -0.05 114.38 119.11 2kz5 h ARG 70 Ca 0.29 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2kz5 h ARG 70 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2kz5 h ARG 70 CO -0.05 0.48 0.05 0.00 -1.51 0.00 0.00 179.97 178.94 2kz5 h ARG 71 N 0.71 0.41 -0.82 0.20 2.47 -0.54 0.73 114.38 117.54 2kz5 h ARG 71 Ca 0.19 -0.11 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2kz5 h ARG 71 Cb -0.05 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.18 2kz5 h ARG 71 CO -0.04 0.53 0.38 0.78 0.56 0.00 0.00 179.97 182.18 2kz5 h GLY 72 N 0.22 1.28 1.43 0.04 0.00 -1.19 -2.88 103.07 101.98 2kz5 h GLY 72 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2kz5 h GLY 72 CO 0.00 0.62 -0.43 0.50 0.00 0.00 0.00 176.54 177.23 2kz5 h LYS 73 N 1.18 0.00 -0.31 4.80 1.57 -0.96 -3.32 116.57 119.53 2kz5 h LYS 73 Ca 0.28 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2kz5 h LYS 73 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2kz5 h LYS 73 CO -0.03 0.00 0.21 -0.97 -0.57 0.00 0.00 179.45 178.08 2kz5 h ASN 74 N 0.00 0.25 -0.80 0.86 -1.24 -0.61 0.23 115.58 114.27 2kz5 h ASN 74 Ca 0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2kz5 h ASN 74 Cb 0.76 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.71 2kz5 h ASN 74 CO 0.00 0.17 0.41 0.50 -1.29 0.00 0.00 177.43 177.22 2kz5 h LYS 75 N 0.29 1.14 -0.42 6.67 3.64 -1.67 -0.20 116.57 126.02 2kz5 h LYS 75 Ca 0.13 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2kz5 h LYS 75 Cb 0.15 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2kz5 h LYS 75 CO -0.03 0.86 -0.07 0.28 -2.27 0.00 0.00 179.45 178.22 2kz5 h VAL 76 N 1.14 1.27 -0.50 2.00 2.07 -1.25 -2.65 116.25 118.33 2kz5 h VAL 76 Ca 0.28 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.72 2kz5 h VAL 76 Cb 0.08 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2kz5 h VAL 76 CO -0.04 0.39 0.34 0.00 0.02 0.00 0.00 177.57 178.28 2kz5 h ALA 77 N 0.87 2.02 -0.26 1.67 0.00 -0.42 0.10 119.26 123.24 2kz5 h ALA 77 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2kz5 h ALA 77 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kz5 h ALA 77 CO 0.04 -0.13 -0.45 0.00 0.00 0.00 0.00 179.25 178.71 2kz5 h ALA 78 N 1.74 0.73 -0.30 0.00 0.00 -0.86 -0.99 119.26 119.57 2kz5 h ALA 78 Ca 0.23 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2kz5 h ALA 78 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kz5 h ALA 78 CO -0.05 0.67 -0.34 1.96 0.00 0.00 0.00 179.25 181.49 2kz5 h GLN 79 N 0.53 0.66 -0.74 0.00 1.08 -0.69 -2.92 115.11 113.03 2kz5 h GLN 79 Ca 0.03 -0.31 -0.38 0.00 -1.45 0.00 0.00 58.65 56.54 2kz5 h GLN 79 Cb 0.99 -0.01 -0.23 0.00 -0.05 0.00 0.00 27.48 28.18 2kz5 h GLN 79 CO 0.09 0.91 0.36 0.27 -0.95 0.00 0.00 178.83 179.51 2kz5 n ASN 80 N -4.06 3.27 -4.72 1.46 0.23 -0.33 -5.02 115.26 106.09 2kz5 n ASN 80 Ca -0.01 -3.67 -0.42 0.00 -0.53 0.00 0.00 54.58 49.95 2kz5 n ASN 80 Cb 0.49 -0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 37.40 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2kz5 s TYR 81 N -3.28 2.99 -0.56 -2.53 5.04 -0.38 -3.50 117.35 115.13 2kz5 s TYR 81 Ca 0.52 0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 55.69 2kz5 s TYR 81 Cb 0.45 -4.00 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 2kz5 s TYR 81 CO 0.07 -3.71 0.51 0.54 -1.34 0.00 0.00 175.55 171.62 2kz5 n ARG 82 N 3.80 -1.13 -0.61 4.97 1.74 -1.26 -5.03 116.66 119.14 2kz5 n ARG 82 Ca 0.14 0.80 -0.29 0.00 -0.77 0.00 0.00 57.85 57.73 2kz5 n ARG 82 Cb 0.37 -4.16 0.23 0.00 -1.02 0.00 0.00 32.46 27.89 2kz5 n ARG 82 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2kz5 s LYS 83 N -3.47 -0.52 -0.39 5.56 -2.85 -1.23 -4.88 119.74 111.96 2kz5 s LYS 83 Ca 0.15 0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 55.80 2kz5 s LYS 83 Cb -0.02 -1.59 -0.03 0.00 -2.06 0.00 0.00 37.83 34.13 2kz5 s LYS 83 CO 0.46 -3.49 1.96 -0.98 0.10 0.00 0.00 175.35 173.40 2kz5 s ARG 84 N -4.52 2.98 0.27 1.78 1.70 -1.26 -4.96 118.95 114.93 2kz5 s ARG 84 Ca 0.68 1.34 -0.29 0.00 -0.47 0.00 0.00 55.73 56.99 2kz5 s ARG 84 Cb -0.24 -4.32 -0.09 0.00 -0.57 0.00 0.00 34.95 29.73 2kz5 s ARG 84 CO 0.63 -2.28 0.98 -1.59 -1.08 0.00 0.00 175.30 171.96 2kz5 s LYS 85 N 6.42 4.74 -0.51 3.89 -2.85 -1.26 -5.02 119.74 125.15 2kz5 s LYS 85 Ca 0.83 1.54 -0.19 0.00 -1.00 0.00 0.00 55.97 57.15 2kz5 s LYS 85 Cb -0.21 -3.16 0.06 0.00 -2.06 0.00 0.00 37.83 32.46 2kz5 s LYS 85 CO 0.30 0.39 0.63 -0.51 0.10 0.00 0.00 175.35 176.26 2kz5 s LEU 86 N -1.42 5.03 0.04 2.77 1.43 -1.26 -5.05 118.68 120.22 2kz5 s LEU 86 Ca 0.44 -0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 2kz5 s LEU 86 Cb -0.26 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2kz5 s LEU 86 CO 0.33 -0.91 0.82 -1.61 0.23 0.00 0.00 176.35 175.21 2kz5 s GLU 87 N 2.61 4.53 -0.10 1.70 0.41 -1.26 -5.05 118.70 121.54 2kz5 s GLU 87 Ca 0.14 1.16 -0.23 0.00 -0.41 0.00 0.00 54.97 55.62 2kz5 s GLU 87 Cb -0.20 -3.39 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 2kz5 s GLU 87 CO 0.11 0.20 0.72 0.99 -0.49 0.00 0.00 175.26 176.79 2kz5 s THR 88 N 0.20 5.01 -0.54 3.63 2.01 -1.26 -4.99 115.64 119.70 2kz5 s THR 88 Ca 0.42 1.45 -0.26 0.00 0.31 0.00 0.00 61.69 63.60 2kz5 s THR 88 Cb -0.21 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2kz5 s THR 88 CO 0.24 0.20 2.13 -0.63 -0.69 0.00 0.00 174.62 175.87 2kz5 s ILE 89 N 1.16 3.18 0.23 1.82 -1.09 -1.26 -4.95 121.20 120.29 2kz5 s ILE 89 Ca 0.37 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 2kz5 s ILE 89 Cb -0.17 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2kz5 s ILE 89 CO 0.16 -0.45 0.25 0.54 -1.23 0.00 0.00 174.94 174.21 2kz5 s VAL 90 N 10.51 4.78 -2.00 2.92 0.11 -1.26 -5.37 120.40 130.09 2kz5 s VAL 90 Ca 0.83 -1.18 0.21 0.00 -2.93 0.00 0.00 61.98 58.90 2kz5 s VAL 90 Cb -0.15 -3.57 0.58 0.00 -1.53 0.00 0.00 36.38 31.72 2kz5 s VAL 90 CO 0.24 -0.30 1.61 0.00 -3.33 0.00 0.00 175.10 173.32