#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 0.21 2.57 -5.12 0.00 -1.26 -5.02 105.19 96.57 2kz5 n GLY 2 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 2kz5 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kz5 n HIS 3 N 0.00 -0.20 -4.88 1.61 -0.00 -1.26 -4.95 115.22 105.54 2kz5 n HIS 3 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 2kz5 n HIS 3 Cb 0.00 -3.60 -0.16 0.00 -0.12 0.00 0.00 29.99 26.11 2kz5 n HIS 3 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kz5 s HIS 4 N -2.83 1.85 -0.05 1.57 5.65 -1.26 -5.13 115.29 115.08 2kz5 s HIS 4 Ca 0.00 -0.60 0.01 0.00 0.25 0.00 0.00 55.06 54.72 2kz5 s HIS 4 Cb 0.00 -1.26 0.02 0.00 -1.18 0.00 0.00 32.58 30.16 2kz5 s HIS 4 CO 0.00 -0.23 -0.07 -1.58 -0.65 0.00 0.00 174.74 172.21 2kz5 s HIS 5 N 0.20 0.98 0.47 3.88 2.46 -1.26 -5.15 115.29 116.87 2kz5 s HIS 5 Ca -0.08 -0.32 -0.06 0.00 0.47 0.00 0.00 55.06 55.07 2kz5 s HIS 5 Cb -0.14 -0.81 -0.04 0.00 -0.13 0.00 0.00 32.58 31.47 2kz5 s HIS 5 CO 0.04 -0.23 0.78 -1.01 -2.47 0.00 0.00 174.74 171.85 2kz5 s HIS 6 N 0.89 3.56 -0.16 3.88 4.02 -1.26 -5.02 115.29 121.19 2kz5 s HIS 6 Ca -0.11 0.83 0.11 0.00 1.02 0.00 0.00 55.06 56.91 2kz5 s HIS 6 Cb -0.15 -2.31 0.27 0.00 -1.02 0.00 0.00 32.58 29.38 2kz5 s HIS 6 CO 0.01 -0.26 1.24 1.58 1.02 0.00 0.00 174.74 178.32 2kz5 n HIS 7 N -2.17 -0.59 -2.47 1.40 -0.00 -1.26 -5.07 115.22 105.07 2kz5 n HIS 7 Ca 0.01 -1.16 -0.39 0.00 0.46 0.00 0.00 57.72 56.64 2kz5 n HIS 7 Cb 0.55 0.70 -0.03 0.00 -0.12 0.00 0.00 29.99 31.10 2kz5 n HIS 7 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kz5 s HIS 8 N -0.45 2.46 0.29 1.57 0.00 -1.26 -4.97 115.29 112.93 2kz5 s HIS 8 Ca 0.11 -0.76 0.01 0.00 -3.00 0.00 0.00 55.06 51.42 2kz5 s HIS 8 Cb 0.26 -4.58 -0.04 0.00 -4.00 0.00 0.00 32.58 24.22 2kz5 s HIS 8 CO -0.08 -1.83 0.48 -1.54 -1.00 0.00 0.00 174.74 170.77 2kz5 s SER 9 N 5.29 6.33 -0.22 7.38 1.04 -1.26 -4.66 113.70 127.59 2kz5 s SER 9 Ca 0.53 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.19 2kz5 s SER 9 Cb 0.00 -2.00 0.07 0.00 0.10 0.00 0.00 66.02 64.19 2kz5 s SER 9 CO -0.03 -0.19 0.55 -1.38 0.98 0.00 0.00 173.24 173.18 2kz5 s HIS 10 N -2.14 -0.80 0.34 5.02 -3.43 -1.26 -5.09 115.29 107.94 2kz5 s HIS 10 Ca 0.39 1.69 -0.26 0.00 -0.80 0.00 0.00 55.06 56.07 2kz5 s HIS 10 Cb -0.10 0.41 -0.09 0.00 -1.43 0.00 0.00 32.58 31.37 2kz5 s HIS 10 CO 0.33 -0.41 1.06 -1.64 -2.00 0.00 0.00 174.74 172.07 2kz5 s MET 11 N 1.32 4.39 0.21 -0.38 1.00 -1.26 -4.14 119.30 120.44 2kz5 s MET 11 Ca -0.08 1.62 -0.08 0.00 0.00 0.00 0.00 55.69 57.15 2kz5 s MET 11 Cb -0.06 -2.83 0.03 0.00 0.00 0.00 0.00 34.83 31.97 2kz5 s MET 11 CO -0.14 0.03 0.43 0.00 0.00 0.00 0.00 175.02 175.35 2kz5 n ALA 12 N 0.50 -0.97 -2.46 3.03 0.00 -1.26 -5.02 120.51 114.33 2kz5 n ALA 12 Ca 0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.52 2kz5 n ALA 12 Cb 0.48 0.54 -0.14 0.00 0.00 0.00 0.00 19.45 20.32 2kz5 n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kz5 s LYS 13 N -2.05 1.47 -0.20 0.00 -0.14 -1.26 -4.87 119.74 112.69 2kz5 s LYS 13 Ca 0.09 -0.95 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 2kz5 s LYS 13 Cb -0.03 -1.58 -0.08 0.00 -1.68 0.00 0.00 37.83 34.46 2kz5 s LYS 13 CO 0.06 0.41 2.14 -2.30 -0.76 0.00 0.00 175.35 174.90 2kz5 n PRO 14 N 1.90 1.87 0.11 -1.68 -0.02 -1.26 -4.86 135.00 131.05 2kz5 n PRO 14 Ca -0.17 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 2kz5 n PRO 14 Cb 0.53 -2.93 0.09 0.00 -0.02 0.00 0.00 33.50 31.17 2kz5 n PRO 14 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2kz5 h THR 15 N 6.72 1.47 -3.20 3.45 1.35 -1.92 -3.44 112.91 117.34 2kz5 h THR 15 Ca -0.40 -2.33 -0.54 0.00 -0.55 0.00 0.00 66.41 62.59 2kz5 h THR 15 Cb 1.27 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.91 2kz5 h THR 15 CO 0.97 0.67 -0.21 0.00 -0.25 0.00 0.00 175.52 176.70 2kz5 s ALA 16 N -3.47 3.69 -0.16 6.62 0.00 -1.26 -5.04 121.76 122.14 2kz5 s ALA 16 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2kz5 s ALA 16 Cb 0.12 -2.24 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 2kz5 s ALA 16 CO 0.79 0.46 -0.13 0.54 0.00 0.00 0.00 175.76 177.42 2kz5 n ARG 17 N -0.40 0.56 0.00 0.00 1.74 -1.26 -4.81 116.66 112.49 2kz5 n ARG 17 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2kz5 n ARG 17 Cb 0.53 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2kz5 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kz5 n GLY 18 N 2.67 3.10 0.19 -0.13 0.00 -1.26 -4.64 105.19 105.12 2kz5 n GLY 18 Ca -0.28 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.42 2kz5 n GLY 18 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kz5 h GLU 19 N 0.00 0.00 -1.28 1.61 4.57 -1.99 -3.47 114.58 114.02 2kz5 h GLU 19 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2kz5 h GLU 19 Cb 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 2kz5 h GLU 19 CO 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 179.01 177.49 2kz5 n ALA 20 N -2.08 -0.32 -0.10 2.92 0.00 -1.26 -4.89 120.51 114.77 2kz5 n ALA 20 Ca 0.04 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2kz5 n ALA 20 Cb 0.52 -1.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 2kz5 n ALA 20 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kz5 h GLY 21 N 0.00 0.00 -2.57 0.00 0.00 -1.97 -3.46 103.07 95.07 2kz5 h GLY 21 Ca -0.35 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.53 2kz5 h GLY 21 CO 0.47 0.00 0.34 -0.56 0.00 0.00 0.00 176.54 176.79 2kz5 s SER 22 N -6.59 7.15 0.33 0.19 0.01 -1.26 -4.96 113.70 108.57 2kz5 s SER 22 Ca -0.25 1.77 0.09 0.00 1.31 0.00 0.00 55.95 58.86 2kz5 s SER 22 Cb 0.05 -2.56 0.84 0.00 0.21 0.00 0.00 66.02 64.56 2kz5 s SER 22 CO 0.50 -0.20 1.79 0.08 0.41 0.00 0.00 173.24 175.82 2kz5 h ARG 23 N 2.58 0.64 -0.45 12.44 0.11 -2.03 -1.61 114.38 126.07 2kz5 h ARG 23 Ca -0.48 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.54 2kz5 h ARG 23 Cb 1.19 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.10 2kz5 h ARG 23 CO 0.63 0.42 0.19 0.38 0.10 0.00 0.00 179.97 181.70 2kz5 h ASP 24 N 0.66 0.61 -0.81 0.08 3.04 -2.00 -3.09 116.42 114.90 2kz5 h ASP 24 Ca 0.57 -0.15 0.15 0.00 -3.24 0.00 0.00 57.03 54.35 2kz5 h ASP 24 Cb 1.03 -0.16 -0.09 0.00 -1.04 0.00 0.00 39.33 39.07 2kz5 h ASP 24 CO -0.35 0.59 0.38 -0.33 -2.04 0.00 0.00 179.24 177.49 2kz5 h GLU 25 N 0.58 0.52 -0.60 4.15 5.08 -1.68 -0.26 114.58 122.38 2kz5 h GLU 25 Ca 0.15 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.65 2kz5 h GLU 25 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2kz5 h GLU 25 CO -0.01 0.34 0.47 0.00 -1.00 0.00 0.00 179.01 178.81 2kz5 h ARG 26 N 0.54 0.00 0.14 2.33 3.08 -1.54 0.15 114.38 119.07 2kz5 h ARG 26 Ca 0.44 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.20 2kz5 h ARG 26 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2kz5 h ARG 26 CO -0.38 0.00 -1.48 0.00 -1.07 0.00 0.00 179.97 177.04 2kz5 h ARG 27 N 0.00 0.29 0.17 0.04 -0.00 -1.21 -3.19 114.38 110.49 2kz5 h ARG 27 Ca 0.28 -0.50 0.01 0.00 -0.50 0.00 0.00 59.98 59.27 2kz5 h ARG 27 Cb 1.23 0.19 -0.02 0.00 0.00 0.00 0.00 29.97 31.36 2kz5 h ARG 27 CO -0.00 1.24 -0.20 0.00 0.00 0.00 0.00 179.97 181.00 2kz5 h ALA 28 N 0.00 -0.39 -0.01 0.04 0.00 -0.14 -1.82 119.26 116.95 2kz5 h ALA 28 Ca -0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2kz5 h ALA 28 Cb 1.85 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2kz5 h ALA 28 CO 0.10 -0.75 -0.42 1.37 0.00 0.00 0.00 179.25 179.55 2kz5 h LEU 29 N -0.42 0.02 -1.43 0.00 8.10 -1.02 0.45 115.31 121.01 2kz5 h LEU 29 Ca 0.01 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2kz5 h LEU 29 Cb 0.41 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 2kz5 h LEU 29 CO -0.07 0.44 -0.02 0.00 -4.11 0.00 0.00 178.44 174.67 2kz5 h ALA 30 N 1.56 1.54 0.00 0.17 0.00 -1.45 -2.55 119.26 118.53 2kz5 h ALA 30 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kz5 h ALA 30 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kz5 h ALA 30 CO 0.06 0.34 -1.38 -1.33 0.00 0.00 0.00 179.25 176.93 2kz5 n MET 31 N -4.33 0.30 -2.02 0.00 2.81 -0.72 -5.06 117.12 108.11 2kz5 n MET 31 Ca 0.00 -0.07 -0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2kz5 n MET 31 Cb 0.22 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 -1.87 -1.46 -3.75 0.03 5.02 0.15 -5.00 118.16 111.27 2kz5 n LYS 32 Ca 0.01 1.46 -0.37 0.00 -2.02 0.00 0.00 58.31 57.39 2kz5 n LYS 32 Cb 0.44 -2.89 -0.13 0.00 -0.02 0.00 0.00 35.03 32.44 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 -0.75 4.21 -1.12 -0.18 -1.09 -0.99 -4.94 121.20 116.33 2kz5 s ILE 33 Ca 0.01 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2kz5 s ILE 33 Cb -0.00 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 2kz5 s ILE 33 CO 0.33 0.26 0.52 -0.81 -1.23 0.00 0.00 174.94 174.02 2kz5 n PRO 34 N 4.91 0.93 -3.77 2.79 -0.04 -1.26 -4.78 135.00 133.78 2kz5 n PRO 34 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 2kz5 n PRO 34 Cb 0.50 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.12 -0.23 0.65 0.54 -0.12 -1.26 -4.64 117.98 111.79 2kz5 s PHE 35 Ca 0.00 0.46 -0.18 0.00 -0.05 0.00 0.00 56.93 57.16 2kz5 s PHE 35 Cb 0.00 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 2kz5 s PHE 35 CO 0.00 -0.31 1.25 -1.25 -0.05 0.00 0.00 175.22 174.86 2kz5 s PRO 36 N -0.82 2.58 0.32 1.99 0.04 -1.26 -4.94 135.00 132.91 2kz5 s PRO 36 Ca -0.09 1.94 0.02 0.00 0.04 0.00 0.00 61.00 62.91 2kz5 s PRO 36 Cb -0.04 -1.86 0.53 0.00 0.04 0.00 0.00 34.50 33.16 2kz5 s PRO 36 CO 0.03 -1.54 1.89 1.79 0.04 0.00 0.00 177.00 179.20 2kz5 h THR 37 N 0.46 1.20 -0.63 1.26 1.35 -2.02 -2.77 112.91 111.77 2kz5 h THR 37 Ca -0.50 -0.67 0.01 0.00 -0.55 0.00 0.00 66.41 64.69 2kz5 h THR 37 Cb 1.32 0.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 2kz5 h THR 37 CO 0.53 0.25 0.41 -2.24 -0.25 0.00 0.00 175.52 174.23 2kz5 h ASP 38 N 0.71 0.73 -0.88 5.36 3.04 -2.01 -2.59 116.42 120.77 2kz5 h ASP 38 Ca 0.17 -0.02 0.16 0.00 -3.24 0.00 0.00 57.03 54.09 2kz5 h ASP 38 Cb 0.21 -0.18 -0.10 0.00 -1.04 0.00 0.00 39.33 38.22 2kz5 h ASP 38 CO -0.01 0.53 0.47 0.50 -2.04 0.00 0.00 179.24 178.69 2kz5 h LYS 39 N 0.86 0.62 -0.82 4.15 3.64 -1.87 -1.93 116.57 121.22 2kz5 h LYS 39 Ca 0.23 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.73 2kz5 h LYS 39 Cb -0.09 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 31.49 2kz5 h LYS 39 CO -0.05 0.41 0.39 0.82 -2.27 0.00 0.00 179.45 178.75 2kz5 h ILE 40 N 0.64 0.68 0.09 2.00 2.04 -1.49 -1.68 117.51 119.79 2kz5 h ILE 40 Ca 0.49 -0.19 -0.33 0.00 1.00 0.00 0.00 64.86 65.84 2kz5 h ILE 40 Cb 0.73 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2kz5 h ILE 40 CO -0.38 0.10 -1.78 0.58 0.00 0.00 0.00 178.15 176.68 2kz5 h VAL 41 N 0.55 0.84 0.00 1.67 2.07 -1.47 -3.39 116.25 116.52 2kz5 h VAL 41 Ca 0.46 -2.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 2kz5 h VAL 41 Cb 0.68 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2kz5 h VAL 41 CO -0.39 0.76 -0.32 0.78 0.02 0.00 0.00 177.57 178.42 2kz5 h ASN 42 N 0.05 0.00 -3.94 0.57 2.35 -1.14 -3.45 115.58 110.02 2kz5 h ASN 42 Ca -0.33 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.90 2kz5 h ASN 42 Cb 2.03 0.00 0.08 0.00 0.05 0.00 0.00 38.32 40.47 2kz5 h ASN 42 CO 0.11 0.32 0.60 -0.76 -1.65 0.00 0.00 177.43 176.05 2kz5 s LEU 43 N -6.38 4.23 0.87 1.61 1.43 -0.65 -5.01 118.68 114.78 2kz5 s LEU 43 Ca 0.05 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 2kz5 s LEU 43 Cb 0.07 -3.89 0.12 0.00 0.03 0.00 0.00 46.19 42.52 2kz5 s LEU 43 CO 0.72 -0.79 1.15 -2.16 0.23 0.00 0.00 176.35 175.49 2kz5 s PRO 44 N -2.20 1.34 0.20 1.29 0.04 -1.26 -4.66 135.00 129.75 2kz5 s PRO 44 Ca 0.56 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 2kz5 s PRO 44 Cb -0.37 -1.76 0.21 0.00 0.04 0.00 0.00 34.50 32.61 2kz5 s PRO 44 CO 0.48 -2.39 1.79 -0.24 0.04 0.00 0.00 177.00 176.68 2kz5 h VAL 45 N -1.54 0.93 0.49 -0.36 3.04 -1.97 0.23 116.25 117.07 2kz5 h VAL 45 Ca -0.44 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 2kz5 h VAL 45 Cb 1.27 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kz5 h VAL 45 CO 0.44 0.10 -0.28 0.44 -1.01 0.00 0.00 177.57 177.26 2kz5 h ASP 46 N 0.57 -0.69 0.21 3.17 5.19 -2.00 -1.26 116.42 121.62 2kz5 h ASP 46 Ca 0.27 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.70 2kz5 h ASP 46 Cb 0.20 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 2kz5 h ASP 46 CO -0.19 -0.45 -0.07 0.44 -3.12 0.00 0.00 179.24 175.84 2kz5 h ASP 47 N -0.72 0.00 0.06 6.45 5.19 -1.83 0.13 116.42 125.70 2kz5 h ASP 47 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2kz5 h ASP 47 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2kz5 h ASP 47 CO 0.07 0.07 -0.03 0.15 -3.12 0.00 0.00 179.24 176.38 2kz5 h PHE 48 N 0.00 -0.08 -0.84 4.55 3.57 -0.14 0.69 116.94 124.70 2kz5 h PHE 48 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kz5 h PHE 48 Cb 0.20 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2kz5 h PHE 48 CO 0.00 0.31 0.49 -0.91 -2.23 0.00 0.00 178.31 175.97 2kz5 h ASN 49 N -0.48 1.01 0.90 0.41 2.35 -0.73 -2.05 115.58 116.99 2kz5 h ASN 49 Ca -0.01 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 2kz5 h ASN 49 Cb 0.42 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2kz5 h ASN 49 CO 0.01 0.79 -0.46 -0.33 -1.65 0.00 0.00 177.43 175.79 2kz5 h GLU 50 N 1.16 0.00 -0.84 0.81 5.08 -0.94 -3.16 114.58 116.68 2kz5 h GLU 50 Ca 0.30 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.80 2kz5 h GLU 50 Cb -0.03 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.13 2kz5 h GLU 50 CO -0.05 0.46 0.44 1.25 -1.00 0.00 0.00 179.01 180.10 2kz5 h LEU 51 N 0.00 0.54 -1.05 1.33 5.85 0.12 0.42 115.31 122.51 2kz5 h LEU 51 Ca -0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kz5 h LEU 51 Cb 1.03 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2kz5 h LEU 51 CO 0.06 0.24 0.00 -0.07 -0.34 0.00 0.00 178.44 178.33 2kz5 h LEU 52 N 0.64 0.00 0.05 2.25 3.38 -1.52 -1.22 115.31 118.89 2kz5 h LEU 52 Ca 0.45 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.09 2kz5 h LEU 52 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2kz5 h LEU 52 CO -0.34 0.00 -1.86 0.00 0.09 0.00 0.00 178.44 176.33 2kz5 n ALA 53 N -2.02 1.23 0.07 1.53 0.00 0.14 -4.32 120.51 117.13 2kz5 n ALA 53 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 2kz5 n ALA 53 Cb 0.33 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.04 2kz5 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kz5 h ARG 54 N 0.03 0.30 -5.24 0.00 3.08 -0.14 -3.36 114.38 109.06 2kz5 h ARG 54 Ca -0.35 -0.28 -0.64 0.00 0.07 0.00 0.00 59.98 58.77 2kz5 h ARG 54 Cb 2.03 0.07 -0.23 0.00 0.08 0.00 0.00 29.97 31.91 2kz5 h ARG 54 CO 0.08 0.96 -0.69 0.71 -1.07 0.00 0.00 179.97 179.96 2kz5 s TYR 55 N -3.43 2.98 -0.36 3.04 1.51 -0.48 -4.66 117.35 115.95 2kz5 s TYR 55 Ca -0.04 -0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 55.28 2kz5 s TYR 55 Cb 0.10 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2kz5 s TYR 55 CO 0.83 -0.16 1.82 -1.25 -1.11 0.00 0.00 175.55 175.68 2kz5 s PRO 56 N 0.59 3.23 0.06 -1.71 0.04 -1.26 -4.62 135.00 131.34 2kz5 s PRO 56 Ca -0.03 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2kz5 s PRO 56 Cb -0.15 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 2kz5 s PRO 56 CO 0.03 -1.98 -0.15 -0.51 0.04 0.00 0.00 177.00 174.43 2kz5 s LEU 57 N 7.23 2.25 0.52 -3.56 1.43 -1.26 -4.92 118.68 120.36 2kz5 s LEU 57 Ca 0.79 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2kz5 s LEU 57 Cb -0.21 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2kz5 s LEU 57 CO 0.32 -0.04 0.85 0.42 0.23 0.00 0.00 176.35 178.13 2kz5 s THR 58 N -1.16 4.86 0.24 5.49 -4.23 -1.26 -4.84 115.64 114.75 2kz5 s THR 58 Ca -0.01 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2kz5 s THR 58 Cb -0.09 -3.87 0.35 0.00 1.34 0.00 0.00 72.50 70.23 2kz5 s THR 58 CO 0.02 -0.92 1.59 -0.33 -0.54 0.00 0.00 174.62 174.44 2kz5 h GLU 59 N 0.10 -0.00 -0.11 3.99 5.08 -2.01 0.51 114.58 122.14 2kz5 h GLU 59 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2kz5 h GLU 59 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2kz5 h GLU 59 CO 0.62 -0.00 -0.11 0.77 -1.00 0.00 0.00 179.01 179.29 2kz5 h SER 60 N -0.00 0.15 -0.47 1.42 0.02 -1.99 -1.43 113.55 111.26 2kz5 h SER 60 Ca 0.39 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2kz5 h SER 60 Cb 0.60 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kz5 h SER 60 CO -0.84 0.29 -0.19 1.56 -1.14 0.00 0.00 176.83 176.51 2kz5 h GLN 61 N 0.16 0.95 -0.57 3.45 4.20 -0.37 0.11 115.11 123.04 2kz5 h GLN 61 Ca 0.03 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2kz5 h GLN 61 Cb 0.30 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2kz5 h GLN 61 CO 0.02 1.06 0.34 -0.07 -0.67 0.00 0.00 178.83 179.51 2kz5 h LEU 62 N 0.80 0.68 -0.88 1.46 4.07 -0.75 0.14 115.31 120.84 2kz5 h LEU 62 Ca 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2kz5 h LEU 62 Cb 0.76 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 2kz5 h LEU 62 CO 0.06 0.54 0.50 0.00 -1.08 0.00 0.00 178.44 178.47 2kz5 h ALA 63 N 1.17 1.12 0.01 1.53 0.00 -1.11 -1.12 119.26 120.87 2kz5 h ALA 63 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kz5 h ALA 63 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2kz5 h ALA 63 CO -0.04 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.06 2kz5 h LEU 64 N 1.22 -0.01 -0.60 0.00 5.85 -0.34 0.34 115.31 121.76 2kz5 h LEU 64 Ca 0.31 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2kz5 h LEU 64 Cb -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2kz5 h LEU 64 CO -0.05 0.12 0.33 0.58 -0.34 0.00 0.00 178.44 179.08 2kz5 h VAL 65 N -0.15 0.98 0.00 1.05 2.07 -0.83 0.21 116.25 119.59 2kz5 h VAL 65 Ca -0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2kz5 h VAL 65 Cb 0.14 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kz5 h VAL 65 CO 0.00 0.11 -0.21 0.03 0.02 0.00 0.00 177.57 177.53 2kz5 h ARG 66 N 0.63 0.00 -0.02 1.57 3.08 -1.09 -1.88 114.38 116.66 2kz5 h ARG 66 Ca 0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 2kz5 h ARG 66 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kz5 h ARG 66 CO -0.16 0.21 -0.52 0.22 -1.07 0.00 0.00 179.97 178.65 2kz5 h ASP 67 N 0.00 0.49 -0.67 7.04 1.82 0.65 -2.15 116.42 123.62 2kz5 h ASP 67 Ca -0.00 -0.74 0.04 0.00 -0.39 0.00 0.00 57.03 55.94 2kz5 h ASP 67 Cb 0.43 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.24 2kz5 h ASP 67 CO 0.03 1.16 0.40 0.40 -1.61 0.00 0.00 179.24 179.61 2kz5 h ILE 68 N -0.13 1.03 -0.69 2.25 2.04 -0.47 0.43 117.51 121.98 2kz5 h ILE 68 Ca -0.06 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2kz5 h ILE 68 Cb 1.22 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2kz5 h ILE 68 CO 0.10 0.14 0.40 -0.09 0.00 0.00 0.00 178.15 178.70 2kz5 h ARG 69 N 0.75 0.94 0.06 2.37 2.43 -1.40 0.19 114.38 119.72 2kz5 h ARG 69 Ca 0.28 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2kz5 h ARG 69 Cb 0.10 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2kz5 h ARG 69 CO -0.14 0.67 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.87 2kz5 h ARG 70 N 0.95 -0.08 -0.48 0.20 2.43 -0.39 0.23 114.38 117.24 2kz5 h ARG 70 Ca 0.25 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2kz5 h ARG 70 Cb -0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2kz5 h ARG 70 CO -0.04 -0.03 -0.17 0.00 -1.51 0.00 0.00 179.97 178.22 2kz5 h ARG 71 N -0.11 0.94 -0.34 0.20 2.47 -0.76 -2.33 114.38 114.44 2kz5 h ARG 71 Ca -0.01 -0.36 -0.14 0.00 -1.26 0.00 0.00 59.98 58.20 2kz5 h ARG 71 Cb 0.09 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2kz5 h ARG 71 CO 0.01 1.02 -0.37 0.78 0.56 0.00 0.00 179.97 181.98 2kz5 h GLY 72 N 0.93 0.86 1.91 0.04 0.00 -0.90 -3.00 103.07 102.91 2kz5 h GLY 72 Ca 0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2kz5 h GLY 72 CO 0.05 0.77 -0.09 1.70 0.00 0.00 0.00 176.54 178.97 2kz5 h LYS 73 N 0.65 0.12 -0.50 4.80 3.64 -0.39 -2.02 116.57 122.87 2kz5 h LYS 73 Ca 0.06 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2kz5 h LYS 73 Cb 0.92 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2kz5 h LYS 73 CO 0.08 0.22 0.33 -0.97 -2.27 0.00 0.00 179.45 176.85 2kz5 h ASN 74 N 0.11 0.41 -0.33 4.20 -0.00 -1.27 0.25 115.58 118.96 2kz5 h ASN 74 Ca 0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.31 2kz5 h ASN 74 Cb 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 2kz5 h ASN 74 CO 0.01 0.28 0.13 0.50 -0.00 0.00 0.00 177.43 178.35 2kz5 h LYS 75 N 0.48 0.50 -0.11 6.67 3.64 -1.44 -2.87 116.57 123.43 2kz5 h LYS 75 Ca 0.21 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 2kz5 h LYS 75 Cb 0.24 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2kz5 h LYS 75 CO -0.06 0.50 -0.66 0.28 -2.27 0.00 0.00 179.45 177.24 2kz5 h VAL 76 N 0.39 1.33 0.00 2.00 2.07 -1.29 -3.23 116.25 117.52 2kz5 h VAL 76 Ca 0.11 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 2kz5 h VAL 76 Cb 0.19 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2kz5 h VAL 76 CO -0.01 0.59 -0.05 0.00 0.02 0.00 0.00 177.57 178.12 2kz5 h ALA 77 N 0.49 1.37 -0.05 1.67 0.00 -0.59 -2.88 119.26 119.26 2kz5 h ALA 77 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kz5 h ALA 77 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kz5 h ALA 77 CO 0.14 0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.80 2kz5 h ALA 78 N 1.95 1.43 0.00 0.00 0.00 -1.52 0.52 119.26 121.64 2kz5 h ALA 78 Ca -0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2kz5 h ALA 78 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2kz5 h ALA 78 CO 0.01 -0.37 -2.03 0.00 0.00 0.00 0.00 179.25 176.85 2kz5 n GLN 79 N -2.99 0.41 -0.45 0.00 10.64 -1.09 -4.71 117.38 119.19 2kz5 n GLN 79 Ca -0.01 0.15 0.10 0.00 -1.83 0.00 0.00 57.00 55.41 2kz5 n GLN 79 Cb 0.41 -1.23 0.31 0.00 -0.86 0.00 0.00 30.24 28.87 2kz5 n GLN 79 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2kz5 n ASN 80 N -3.56 4.00 0.30 2.61 0.23 -1.07 -4.26 115.26 113.51 2kz5 n ASN 80 Ca -0.35 -2.19 0.20 0.00 -0.53 0.00 0.00 54.58 51.71 2kz5 n ASN 80 Cb 0.79 -0.50 1.01 0.00 -2.08 0.00 0.00 39.78 38.99 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2kz5 h TYR 81 N 3.89 0.00 0.00 -2.53 3.20 -1.18 -3.34 116.97 117.01 2kz5 h TYR 81 Ca 0.00 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.24 2kz5 h TYR 81 Cb 1.12 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.40 2kz5 h TYR 81 CO 0.58 0.00 2.87 0.54 -1.64 0.00 0.00 178.16 180.50 2kz5 n ARG 82 N -2.95 2.38 -3.53 1.82 5.12 -1.26 -4.92 116.66 113.31 2kz5 n ARG 82 Ca -0.02 -2.11 -0.38 0.00 -1.93 0.00 0.00 57.85 53.42 2kz5 n ARG 82 Cb 0.12 -2.97 -0.06 0.00 -1.16 0.00 0.00 32.46 28.40 2kz5 n ARG 82 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kz5 s LYS 83 N 3.72 3.93 0.91 5.56 2.20 -1.26 -5.10 119.74 129.71 2kz5 s LYS 83 Ca 0.53 0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 56.31 2kz5 s LYS 83 Cb 0.14 -3.26 0.15 0.00 -1.51 0.00 0.00 37.83 33.36 2kz5 s LYS 83 CO -0.00 0.61 1.26 1.03 -0.36 0.00 0.00 175.35 177.88 2kz5 s ARG 84 N -0.75 1.13 -0.47 4.03 0.52 -1.26 -4.73 118.95 117.42 2kz5 s ARG 84 Ca 0.22 -0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 2kz5 s ARG 84 Cb -0.16 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2kz5 s ARG 84 CO 0.11 -2.12 0.49 1.17 0.02 0.00 0.00 175.30 174.97 2kz5 n LYS 85 N -3.62 -1.22 -3.85 3.54 4.81 -1.26 -5.08 118.16 111.48 2kz5 n LYS 85 Ca 0.12 1.38 -0.26 0.00 -0.87 0.00 0.00 58.31 58.68 2kz5 n LYS 85 Cb 0.60 -4.60 0.00 0.00 0.02 0.00 0.00 35.03 31.05 2kz5 n LYS 85 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kz5 s LEU 86 N -3.04 2.64 -0.37 3.14 1.02 -1.26 -5.07 118.68 115.74 2kz5 s LEU 86 Ca 0.06 -1.28 -0.29 0.00 0.02 0.00 0.00 54.13 52.64 2kz5 s LEU 86 Cb -0.02 -1.12 0.01 0.00 0.02 0.00 0.00 46.19 45.08 2kz5 s LEU 86 CO 0.55 -1.19 1.32 -1.83 0.02 0.00 0.00 176.35 175.23 2kz5 s GLU 87 N -4.33 3.75 -0.21 1.70 -1.05 -1.26 -4.95 118.70 112.35 2kz5 s GLU 87 Ca 0.34 1.03 -0.28 0.00 -0.15 0.00 0.00 54.97 55.91 2kz5 s GLU 87 Cb -0.03 -3.94 -0.05 0.00 -0.44 0.00 0.00 34.13 29.67 2kz5 s GLU 87 CO 0.21 -1.33 2.21 0.25 0.95 0.00 0.00 175.26 177.55 2kz5 n THR 88 N 6.64 0.37 -1.73 1.83 -2.24 -1.26 -4.92 114.28 112.96 2kz5 n THR 88 Ca 0.15 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 2kz5 n THR 88 Cb 0.47 -2.56 -0.02 0.00 -2.10 0.00 0.00 70.33 66.13 2kz5 n THR 88 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2kz5 n ILE 89 N 7.64 0.52 -3.99 2.28 -5.35 -1.26 -5.00 119.36 114.20 2kz5 n ILE 89 Ca 0.29 -0.13 -0.30 0.00 -0.27 0.00 0.00 62.75 62.35 2kz5 n ILE 89 Cb 0.45 -1.94 -0.05 0.00 -1.74 0.00 0.00 39.64 36.36 2kz5 n ILE 89 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2kz5 s VAL 90 N 0.55 4.97 0.00 7.28 0.11 -1.26 -5.30 120.40 126.75 2kz5 s VAL 90 Ca 0.70 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2kz5 s VAL 90 Cb -0.51 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 2kz5 s VAL 90 CO 0.41 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 172.25