#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 0.76 3.30 3.03 0.00 -1.26 -5.18 105.19 105.84 2kz5 n GLY 2 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 1.45 -0.07 1.61 4.02 -1.26 -5.15 115.29 113.90 2kz5 s HIS 3 Ca 0.00 -1.17 -0.17 0.00 1.02 0.00 0.00 55.06 54.74 2kz5 s HIS 3 Cb 0.00 -0.84 -0.05 0.00 -1.02 0.00 0.00 32.58 30.67 2kz5 s HIS 3 CO 0.00 -0.34 0.46 -1.01 1.02 0.00 0.00 174.74 174.88 2kz5 s HIS 4 N -3.77 3.60 0.03 1.40 4.02 -1.26 -5.07 115.29 114.24 2kz5 s HIS 4 Ca 0.36 0.95 -0.14 0.00 1.02 0.00 0.00 55.06 57.24 2kz5 s HIS 4 Cb 0.07 -2.47 -0.06 0.00 -1.02 0.00 0.00 32.58 29.10 2kz5 s HIS 4 CO 0.12 0.34 0.43 -1.58 1.02 0.00 0.00 174.74 175.06 2kz5 s HIS 5 N 0.00 3.70 0.04 1.40 2.46 -1.26 -5.10 115.29 116.54 2kz5 s HIS 5 Ca 0.25 0.98 0.08 0.00 0.47 0.00 0.00 55.06 56.85 2kz5 s HIS 5 Cb -0.16 -2.29 -0.03 0.00 -0.13 0.00 0.00 32.58 29.98 2kz5 s HIS 5 CO 0.12 0.60 -0.23 -1.01 -2.47 0.00 0.00 174.74 171.75 2kz5 s HIS 6 N -1.17 1.99 0.00 3.88 4.02 -1.26 -5.06 115.29 117.69 2kz5 s HIS 6 Ca 0.27 -0.39 0.00 0.00 1.02 0.00 0.00 55.06 55.96 2kz5 s HIS 6 Cb -0.16 -1.19 0.00 0.00 -1.02 0.00 0.00 32.58 30.21 2kz5 s HIS 6 CO 0.15 0.10 0.00 1.58 1.02 0.00 0.00 174.74 177.59 2kz5 n HIS 7 N 1.82 0.00 -2.62 1.40 -0.00 -1.26 -4.97 115.22 109.59 2kz5 n HIS 7 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.13 2kz5 n HIS 7 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 2kz5 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kz5 s HIS 8 N -0.95 2.60 -0.29 1.57 5.65 -1.26 -4.89 115.29 117.73 2kz5 s HIS 8 Ca 0.00 -0.86 -0.15 0.00 0.25 0.00 0.00 55.06 54.30 2kz5 s HIS 8 Cb 0.00 -4.62 0.14 0.00 -1.18 0.00 0.00 32.58 26.91 2kz5 s HIS 8 CO 0.00 -1.88 0.90 0.45 -0.65 0.00 0.00 174.74 173.56 2kz5 s SER 9 N 4.66 -0.66 -0.01 9.88 0.15 -1.26 -5.18 113.70 121.29 2kz5 s SER 9 Ca 0.43 1.00 0.07 0.00 0.70 0.00 0.00 55.95 58.15 2kz5 s SER 9 Cb -0.02 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.70 2kz5 s SER 9 CO -0.08 -0.15 -0.23 -1.00 1.20 0.00 0.00 173.24 172.98 2kz5 s HIS 10 N 1.75 2.05 -0.98 3.44 4.02 -1.26 -5.03 115.29 119.28 2kz5 s HIS 10 Ca -0.08 -0.39 -0.08 0.00 1.02 0.00 0.00 55.06 55.54 2kz5 s HIS 10 Cb -0.05 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.58 30.05 2kz5 s HIS 10 CO -0.17 -0.03 3.06 -0.12 1.02 0.00 0.00 174.74 178.51 2kz5 n MET 11 N 2.48 2.90 -0.27 1.40 0.00 -1.26 -4.55 117.12 117.83 2kz5 n MET 11 Ca -0.16 -1.68 0.08 0.00 -0.00 0.00 0.00 57.70 55.95 2kz5 n MET 11 Cb 0.52 -2.47 0.23 0.00 0.00 0.00 0.00 33.22 31.50 2kz5 n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kz5 n ALA 12 N 3.26 2.45 -2.74 -5.12 0.00 -1.26 -4.89 120.51 112.20 2kz5 n ALA 12 Ca 0.62 -0.91 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 2kz5 n ALA 12 Cb 0.45 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.35 3.89 1.02 0.00 3.01 -1.26 -5.08 119.74 119.97 2kz5 s LYS 13 Ca 0.34 0.00 -0.17 0.00 -1.01 0.00 0.00 55.97 55.13 2kz5 s LYS 13 Cb 0.18 -3.31 -0.01 0.00 -1.01 0.00 0.00 37.83 33.69 2kz5 s LYS 13 CO 0.23 0.52 -0.19 -2.30 0.51 0.00 0.00 175.35 174.12 2kz5 n PRO 14 N 2.69 -0.58 -1.61 -1.68 -0.02 -1.26 -4.79 135.00 127.75 2kz5 n PRO 14 Ca -0.16 -0.15 -0.51 0.00 -2.02 0.00 0.00 63.50 60.66 2kz5 n PRO 14 Cb 0.53 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 2kz5 n PRO 14 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kz5 n THR 15 N -3.61 0.02 0.19 3.45 5.66 -1.26 -4.88 114.28 113.85 2kz5 n THR 15 Ca 0.02 -0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.09 2kz5 n THR 15 Cb 0.59 -0.99 0.24 0.00 -1.55 0.00 0.00 70.33 68.62 2kz5 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kz5 h ALA 16 N 5.01 0.87 -2.32 1.79 0.00 -2.05 -3.40 119.26 119.17 2kz5 h ALA 16 Ca -0.47 -0.27 -0.74 0.00 0.00 0.00 0.00 54.91 53.43 2kz5 h ALA 16 Cb 1.32 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.84 2kz5 h ALA 16 CO 0.81 0.37 0.33 1.03 0.00 0.00 0.00 179.25 181.80 2kz5 s ARG 17 N -3.29 3.47 -0.37 0.00 3.00 -1.26 -4.76 118.95 115.73 2kz5 s ARG 17 Ca 0.03 -1.98 0.07 0.00 0.00 0.00 0.00 55.73 53.85 2kz5 s ARG 17 Cb 0.08 -4.55 0.30 0.00 0.00 0.00 0.00 34.95 30.78 2kz5 s ARG 17 CO 0.69 -1.50 1.28 0.41 0.00 0.00 0.00 175.30 176.17 2kz5 n GLY 18 N 4.78 0.80 3.51 -3.53 0.00 -1.26 -5.10 105.19 104.39 2kz5 n GLY 18 Ca 0.11 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 0.15 3.30 0.34 1.61 2.02 -1.26 -5.01 118.70 119.85 2kz5 s GLU 19 Ca 0.17 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.86 2kz5 s GLU 19 Cb 0.31 -4.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 2kz5 s GLU 19 CO -0.07 -1.53 0.19 0.00 0.02 0.00 0.00 175.26 173.86 2kz5 s ALA 20 N 3.97 2.19 0.00 5.21 0.00 -1.26 -5.14 121.76 126.74 2kz5 s ALA 20 Ca 0.29 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2kz5 s ALA 20 Cb -0.13 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2kz5 s ALA 20 CO 0.18 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2kz5 n GLY 21 N -0.68 1.62 2.92 0.00 0.00 -1.26 -4.69 105.19 103.10 2kz5 n GLY 21 Ca 0.01 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 2kz5 n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kz5 n SER 22 N -0.22 -0.80 0.21 1.61 2.88 -1.26 -4.68 113.62 111.36 2kz5 n SER 22 Ca 0.00 -1.22 -0.15 0.00 -1.33 0.00 0.00 58.87 56.17 2kz5 n SER 22 Cb 0.00 -0.80 -0.07 0.00 -0.75 0.00 0.00 64.21 62.59 2kz5 n SER 22 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kz5 h ARG 23 N 0.00 -0.64 -0.40 -1.46 2.43 -2.00 -0.36 114.38 111.95 2kz5 h ARG 23 Ca -0.33 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2kz5 h ARG 23 Cb 0.96 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2kz5 h ARG 23 CO 0.23 -0.42 0.20 -0.44 -1.51 0.00 0.00 179.97 178.03 2kz5 h ASP 24 N -0.66 0.49 -0.10 -3.80 3.32 -2.00 -2.69 116.42 110.98 2kz5 h ASP 24 Ca -0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2kz5 h ASP 24 Cb 0.60 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2kz5 h ASP 24 CO -0.05 0.41 0.04 -0.33 -1.72 0.00 0.00 179.24 177.59 2kz5 h GLU 25 N 0.56 0.16 0.00 3.56 4.39 -1.75 -0.41 114.58 121.09 2kz5 h GLU 25 Ca 0.14 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2kz5 h GLU 25 Cb 0.04 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kz5 h GLU 25 CO -0.02 0.30 -0.04 0.00 -1.16 0.00 0.00 179.01 178.08 2kz5 h ARG 26 N -0.01 0.00 -0.28 2.33 3.08 -0.86 -0.09 114.38 118.55 2kz5 h ARG 26 Ca 0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 2kz5 h ARG 26 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2kz5 h ARG 26 CO -0.00 0.04 -0.55 0.00 -1.07 0.00 0.00 179.97 178.39 2kz5 h ARG 27 N 0.00 0.86 0.46 0.04 2.47 -1.15 -2.35 114.38 114.72 2kz5 h ARG 27 Ca -0.00 -0.56 -0.02 0.00 -1.26 0.00 0.00 59.98 58.14 2kz5 h ARG 27 Cb 0.08 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2kz5 h ARG 27 CO 0.01 1.19 -0.22 0.00 0.56 0.00 0.00 179.97 181.50 2kz5 h ALA 28 N 0.67 -0.62 0.00 0.04 0.00 0.40 -2.88 119.26 116.87 2kz5 h ALA 28 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kz5 h ALA 28 Cb 1.16 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2kz5 h ALA 28 CO 0.12 -0.80 -0.04 1.37 0.00 0.00 0.00 179.25 179.91 2kz5 h LEU 29 N -0.72 0.00 -0.65 0.00 8.10 -1.18 0.86 115.31 121.71 2kz5 h LEU 29 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 2kz5 h LEU 29 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 2kz5 h LEU 29 CO 0.10 0.04 0.21 0.00 -4.11 0.00 0.00 178.44 174.68 2kz5 h ALA 30 N 1.96 0.85 -0.43 0.17 0.00 -1.24 -2.02 119.26 118.55 2kz5 h ALA 30 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kz5 h ALA 30 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kz5 h ALA 30 CO 0.00 0.52 0.00 -1.33 0.00 0.00 0.00 179.25 178.44 2kz5 n MET 31 N -4.36 2.07 -3.35 0.00 2.81 -0.81 -4.97 117.12 108.51 2kz5 n MET 31 Ca 0.04 -1.66 -0.14 0.00 -1.81 0.00 0.00 57.70 54.13 2kz5 n MET 31 Cb 0.21 -1.38 0.02 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.85 -1.52 -3.27 0.03 5.02 -0.23 -4.91 118.16 114.12 2kz5 n LYS 32 Ca 0.16 1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 57.05 2kz5 n LYS 32 Cb 0.40 -4.87 -0.08 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.18 5.03 -0.07 -0.18 -1.09 0.13 -4.95 121.20 116.88 2kz5 s ILE 33 Ca 0.21 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 2kz5 s ILE 33 Cb -0.05 -3.98 0.10 0.00 -1.58 0.00 0.00 42.46 36.95 2kz5 s ILE 33 CO 0.80 -0.28 1.16 -0.81 -1.23 0.00 0.00 174.94 174.57 2kz5 n PRO 34 N 5.72 1.19 -3.69 2.79 -0.04 -1.26 -4.60 135.00 135.10 2kz5 n PRO 34 Ca -0.06 -0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 62.81 2kz5 n PRO 34 Cb 0.49 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.51 -0.28 0.40 0.54 -0.12 -1.26 -5.16 117.98 111.60 2kz5 s PHE 35 Ca 0.09 0.37 -0.26 0.00 -0.05 0.00 0.00 56.93 57.08 2kz5 s PHE 35 Cb 0.07 0.18 -0.09 0.00 -0.63 0.00 0.00 43.02 42.56 2kz5 s PHE 35 CO 0.02 -0.48 1.27 -1.25 -0.05 0.00 0.00 175.22 174.72 2kz5 s PRO 36 N -1.71 4.01 0.14 1.99 0.04 -1.26 -4.97 135.00 133.23 2kz5 s PRO 36 Ca -0.10 2.09 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 2kz5 s PRO 36 Cb -0.03 -2.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.75 2kz5 s PRO 36 CO 0.03 -0.44 1.59 1.79 0.04 0.00 0.00 177.00 180.01 2kz5 h THR 37 N 2.46 1.26 -0.98 1.26 1.35 -1.97 -3.13 112.91 113.17 2kz5 h THR 37 Ca -0.49 -0.99 0.07 0.00 -0.55 0.00 0.00 66.41 64.45 2kz5 h THR 37 Cb 1.24 1.03 -0.07 0.00 -1.73 0.00 0.00 68.15 68.63 2kz5 h THR 37 CO 0.63 0.34 0.62 -2.24 -0.25 0.00 0.00 175.52 174.62 2kz5 h ASP 38 N 0.61 0.99 -0.34 5.36 2.03 -1.96 -2.06 116.42 121.05 2kz5 h ASP 38 Ca 0.13 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2kz5 h ASP 38 Cb 0.46 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 2kz5 h ASP 38 CO 0.02 0.62 0.21 0.50 -1.03 0.00 0.00 179.24 179.56 2kz5 h LYS 39 N 1.12 0.45 -0.95 4.15 3.64 -1.95 -2.60 116.57 120.43 2kz5 h LYS 39 Ca 0.43 -0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.99 2kz5 h LYS 39 Cb 0.20 -0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 31.81 2kz5 h LYS 39 CO -0.18 0.32 0.52 0.82 -2.27 0.00 0.00 179.45 178.65 2kz5 h ILE 40 N 0.44 0.58 -0.20 2.00 2.04 -1.36 -0.19 117.51 120.83 2kz5 h ILE 40 Ca 0.12 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2kz5 h ILE 40 Cb -0.02 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 2kz5 h ILE 40 CO -0.02 0.10 -0.32 0.58 0.00 0.00 0.00 178.15 178.49 2kz5 h VAL 41 N 0.57 1.28 -0.01 1.67 2.07 -1.23 -3.14 116.25 117.46 2kz5 h VAL 41 Ca 0.58 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2kz5 h VAL 41 Cb 1.03 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2kz5 h VAL 41 CO -0.46 0.42 -0.40 0.59 0.02 0.00 0.00 177.57 177.75 2kz5 n ASN 42 N -4.09 1.25 -4.77 0.57 3.02 -0.20 -4.81 115.26 106.24 2kz5 n ASN 42 Ca -0.01 -1.01 -0.38 0.00 -0.03 0.00 0.00 54.58 53.15 2kz5 n ASN 42 Cb 0.44 0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.58 4.48 0.61 3.41 1.43 -0.53 -5.07 118.68 120.43 2kz5 s LEU 43 Ca 0.20 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.02 2kz5 s LEU 43 Cb 0.18 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2kz5 s LEU 43 CO 0.58 0.04 1.07 -2.16 0.23 0.00 0.00 176.35 176.11 2kz5 s PRO 44 N -1.64 3.19 0.43 1.29 0.04 -1.26 -4.79 135.00 132.25 2kz5 s PRO 44 Ca 0.46 1.26 0.18 0.00 0.04 0.00 0.00 61.00 62.94 2kz5 s PRO 44 Cb -0.22 -2.01 1.11 0.00 0.04 0.00 0.00 34.50 33.42 2kz5 s PRO 44 CO 0.27 -0.92 1.87 -0.24 0.04 0.00 0.00 177.00 178.02 2kz5 h VAL 45 N 0.34 0.69 0.51 -0.36 3.04 -1.97 0.15 116.25 118.64 2kz5 h VAL 45 Ca -0.47 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.07 2kz5 h VAL 45 Cb 1.23 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2kz5 h VAL 45 CO 0.57 0.07 -0.38 0.44 -1.01 0.00 0.00 177.57 177.25 2kz5 h ASP 46 N 0.37 -1.01 0.40 3.17 5.19 -2.00 0.35 116.42 122.90 2kz5 h ASP 46 Ca 0.45 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.90 2kz5 h ASP 46 Cb 1.16 0.31 -0.00 0.00 0.18 0.00 0.00 39.33 40.98 2kz5 h ASP 46 CO -0.15 -0.55 -0.13 0.44 -3.12 0.00 0.00 179.24 175.73 2kz5 h ASP 47 N -0.85 0.00 -0.16 6.45 5.19 -1.73 -1.45 116.42 123.86 2kz5 h ASP 47 Ca -0.07 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2kz5 h ASP 47 Cb 0.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 2kz5 h ASP 47 CO 0.02 0.13 0.06 0.15 -3.12 0.00 0.00 179.24 176.48 2kz5 h PHE 48 N 0.00 0.25 -0.40 4.55 3.57 -0.46 0.24 116.94 124.68 2kz5 h PHE 48 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2kz5 h PHE 48 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2kz5 h PHE 48 CO 0.00 0.33 0.24 -0.91 -2.23 0.00 0.00 178.31 175.74 2kz5 h ASN 49 N 0.10 0.48 -0.99 0.41 2.35 -0.31 -2.19 115.58 115.44 2kz5 h ASN 49 Ca 0.05 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2kz5 h ASN 49 Cb 0.19 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 2kz5 h ASN 49 CO -0.00 0.39 0.65 -0.33 -1.65 0.00 0.00 177.43 176.49 2kz5 h GLU 50 N 0.53 1.30 0.04 0.81 4.39 -1.19 -1.76 114.58 118.71 2kz5 h GLU 50 Ca 0.14 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2kz5 h GLU 50 Cb -0.00 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 2kz5 h GLU 50 CO -0.03 0.86 -0.09 1.25 -1.16 0.00 0.00 179.01 179.84 2kz5 h LEU 51 N 1.34 -0.26 -1.56 1.33 5.85 -0.15 0.25 115.31 122.12 2kz5 h LEU 51 Ca 0.36 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 2kz5 h LEU 51 Cb -0.15 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2kz5 h LEU 51 CO -0.08 -0.14 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.58 2kz5 h LEU 52 N -0.18 0.00 0.04 2.25 3.38 -1.26 -2.75 115.31 116.78 2kz5 h LEU 52 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 2kz5 h LEU 52 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2kz5 h LEU 52 CO -0.06 0.23 -1.14 0.00 0.09 0.00 0.00 178.44 177.56 2kz5 h ALA 53 N 1.77 0.32 0.30 1.53 0.00 -0.83 -3.36 119.26 118.99 2kz5 h ALA 53 Ca -0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2kz5 h ALA 53 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kz5 h ALA 53 CO 0.03 1.21 -0.15 0.00 0.00 0.00 0.00 179.25 180.34 2kz5 h ARG 54 N 0.02 -0.39 -6.48 0.00 3.08 -0.24 -3.43 114.38 106.94 2kz5 h ARG 54 Ca -0.07 0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.48 2kz5 h ARG 54 Cb 1.85 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.96 2kz5 h ARG 54 CO 0.14 -0.10 0.26 0.71 -1.07 0.00 0.00 179.97 179.92 2kz5 s TYR 55 N -4.95 3.81 -0.06 3.04 1.51 -1.08 -4.95 117.35 114.67 2kz5 s TYR 55 Ca -0.15 1.67 -0.04 0.00 -1.01 0.00 0.00 57.07 57.54 2kz5 s TYR 55 Cb 0.03 -2.93 -0.19 0.00 -0.11 0.00 0.00 41.96 38.76 2kz5 s TYR 55 CO 0.57 0.29 2.72 -0.35 -1.11 0.00 0.00 175.55 177.67 2kz5 n PRO 56 N 2.55 1.50 -2.53 -1.71 -0.04 -1.26 -4.84 135.00 128.66 2kz5 n PRO 56 Ca -0.01 -0.77 -0.40 0.00 -0.04 0.00 0.00 63.50 62.28 2kz5 n PRO 56 Cb 0.49 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.01 4.54 0.60 1.53 1.43 -1.26 -5.05 118.68 120.47 2kz5 s LEU 57 Ca 0.48 2.20 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 2kz5 s LEU 57 Cb 0.22 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2kz5 s LEU 57 CO -0.00 -0.12 1.03 0.42 0.23 0.00 0.00 176.35 177.91 2kz5 s THR 58 N -1.21 4.36 0.44 5.49 -4.23 -1.26 -4.79 115.64 114.45 2kz5 s THR 58 Ca 0.45 0.94 0.25 0.00 -1.18 0.00 0.00 61.69 62.15 2kz5 s THR 58 Cb -0.30 -3.64 0.44 0.00 1.34 0.00 0.00 72.50 70.34 2kz5 s THR 58 CO 0.38 -0.83 1.77 -0.33 -0.54 0.00 0.00 174.62 175.07 2kz5 h GLU 59 N 0.14 0.25 -0.59 3.99 5.08 -1.99 0.52 114.58 121.98 2kz5 h GLU 59 Ca -0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2kz5 h GLU 59 Cb 1.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2kz5 h GLU 59 CO 0.60 0.16 0.36 0.66 -1.00 0.00 0.00 179.01 179.79 2kz5 h SER 60 N 0.25 0.70 -0.40 1.42 4.64 -1.99 0.29 113.55 118.46 2kz5 h SER 60 Ca 0.60 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.79 2kz5 h SER 60 Cb 1.80 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 2kz5 h SER 60 CO -0.22 0.54 -0.08 1.56 -0.87 0.00 0.00 176.83 177.77 2kz5 h GLN 61 N 0.79 0.76 -0.75 4.77 4.20 -0.35 -2.79 115.11 121.74 2kz5 h GLN 61 Ca 0.21 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2kz5 h GLN 61 Cb -0.03 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2kz5 h GLN 61 CO -0.04 0.88 0.48 -0.07 -0.67 0.00 0.00 178.83 179.42 2kz5 h LEU 62 N 0.58 0.81 -1.37 1.46 4.07 -1.13 -1.82 115.31 117.91 2kz5 h LEU 62 Ca 0.10 -0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.18 2kz5 h LEU 62 Cb 0.59 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 42.08 2kz5 h LEU 62 CO 0.04 0.57 0.54 0.00 -1.08 0.00 0.00 178.44 178.50 2kz5 h ALA 63 N 1.30 1.86 0.09 1.53 0.00 -0.76 0.44 119.26 123.73 2kz5 h ALA 63 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2kz5 h ALA 63 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kz5 h ALA 63 CO -0.09 -0.06 -0.04 1.25 0.00 0.00 0.00 179.25 180.30 2kz5 h LEU 64 N 0.65 -0.10 -0.65 0.00 5.85 -1.14 -2.87 115.31 117.04 2kz5 h LEU 64 Ca 0.40 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2kz5 h LEU 64 Cb 0.64 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 2kz5 h LEU 64 CO -0.16 0.36 0.31 0.58 -0.34 0.00 0.00 178.44 179.19 2kz5 h VAL 65 N -0.59 0.86 -0.82 1.05 2.07 -0.57 0.16 116.25 118.41 2kz5 h VAL 65 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2kz5 h VAL 65 Cb 0.49 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 2kz5 h VAL 65 CO 0.02 0.10 0.50 0.03 0.02 0.00 0.00 177.57 178.25 2kz5 h ARG 66 N 0.55 0.90 -0.52 1.57 3.08 -1.02 -1.71 114.38 117.23 2kz5 h ARG 66 Ca 0.31 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 2kz5 h ARG 66 Cb 0.31 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2kz5 h ARG 66 CO -0.25 0.59 -0.02 0.22 -1.07 0.00 0.00 179.97 179.45 2kz5 h ASP 67 N 0.92 0.91 -0.71 7.04 3.58 -0.92 -2.91 116.42 124.34 2kz5 h ASP 67 Ca 0.36 -0.32 0.07 0.00 0.42 0.00 0.00 57.03 57.56 2kz5 h ASP 67 Cb 0.16 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 2kz5 h ASP 67 CO -0.17 1.00 0.39 0.40 -2.88 0.00 0.00 179.24 177.99 2kz5 h ILE 68 N 0.79 0.94 -0.98 2.25 2.04 -0.13 0.24 117.51 122.66 2kz5 h ILE 68 Ca 0.14 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2kz5 h ILE 68 Cb 0.55 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2kz5 h ILE 68 CO 0.03 0.13 0.64 -0.09 0.00 0.00 0.00 178.15 178.86 2kz5 h ARG 69 N 0.70 1.19 -0.50 2.37 1.12 -1.22 -1.59 114.38 116.45 2kz5 h ARG 69 Ca 0.33 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 59.05 2kz5 h ARG 69 Cb 0.25 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 2kz5 h ARG 69 CO -0.21 0.79 0.01 -0.09 -3.11 0.00 0.00 179.97 177.36 2kz5 h ARG 70 N 1.22 0.88 -0.27 0.20 9.65 -1.03 -1.40 114.38 123.64 2kz5 h ARG 70 Ca 0.40 -0.28 0.06 0.00 -1.10 0.00 0.00 59.98 59.06 2kz5 h ARG 70 Cb 0.03 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 2kz5 h ARG 70 CO -0.13 0.91 -0.14 0.00 2.80 0.00 0.00 179.97 183.41 2kz5 h ARG 71 N 0.74 -0.10 -0.01 0.20 2.47 0.34 0.58 114.38 118.59 2kz5 h ARG 71 Ca 0.14 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.73 2kz5 h ARG 71 Cb 0.51 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2kz5 h ARG 71 CO 0.02 -0.07 -0.56 0.78 0.56 0.00 0.00 179.97 180.71 2kz5 h GLY 72 N -0.11 0.44 2.00 0.04 0.00 -1.37 -3.26 103.07 100.81 2kz5 h GLY 72 Ca 0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2kz5 h GLY 72 CO -0.33 0.67 -0.05 1.70 0.00 0.00 0.00 176.54 178.53 2kz5 h LYS 73 N -0.12 0.00 -0.78 4.80 3.64 -1.15 -1.43 116.57 121.53 2kz5 h LYS 73 Ca -0.07 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 2kz5 h LYS 73 Cb 1.27 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 2kz5 h LYS 73 CO 0.11 0.05 0.41 -0.97 -2.27 0.00 0.00 179.45 176.78 2kz5 h ASN 74 N 0.00 0.55 -0.99 4.20 -0.73 -0.92 0.97 115.58 118.66 2kz5 h ASN 74 Ca -0.00 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.27 2kz5 h ASN 74 Cb 0.20 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.69 2kz5 h ASN 74 CO 0.01 0.30 0.65 0.50 -0.37 0.00 0.00 177.43 178.52 2kz5 h LYS 75 N 0.67 1.22 -0.40 6.67 1.63 -1.40 0.19 116.57 125.15 2kz5 h LYS 75 Ca 0.39 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.96 2kz5 h LYS 75 Cb 0.42 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2kz5 h LYS 75 CO -0.28 0.81 -0.35 0.28 -3.45 0.00 0.00 179.45 176.45 2kz5 h VAL 76 N 1.25 1.27 0.00 2.00 2.07 -1.37 -2.58 116.25 118.90 2kz5 h VAL 76 Ca 0.40 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2kz5 h VAL 76 Cb 0.01 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2kz5 h VAL 76 CO -0.12 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 177.91 2kz5 h ALA 77 N 0.79 1.06 0.03 1.67 0.00 -0.01 -1.61 119.26 121.19 2kz5 h ALA 77 Ca 0.07 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2kz5 h ALA 77 Cb 0.94 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kz5 h ALA 77 CO 0.09 0.08 -0.67 0.00 0.00 0.00 0.00 179.25 178.75 2kz5 h ALA 78 N 1.93 0.04 -0.10 0.00 0.00 -0.40 -3.03 119.26 117.70 2kz5 h ALA 78 Ca -0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.11 2kz5 h ALA 78 Cb 0.45 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kz5 h ALA 78 CO 0.01 0.38 -0.70 -0.56 0.00 0.00 0.00 179.25 178.38 2kz5 h GLN 79 N -0.13 0.65 -0.92 0.00 3.07 -1.32 -3.30 115.11 113.16 2kz5 h GLN 79 Ca -0.09 -0.57 -0.36 0.00 0.09 0.00 0.00 58.65 57.72 2kz5 h GLN 79 Cb 1.41 0.13 -0.22 0.00 0.08 0.00 0.00 27.48 28.88 2kz5 h GLN 79 CO 0.13 1.18 0.46 0.09 0.09 0.00 0.00 178.83 180.78 2kz5 n ASN 80 N -4.06 4.02 0.09 0.06 3.02 -0.62 -4.57 115.26 113.19 2kz5 n ASN 80 Ca -0.08 -3.30 -0.04 0.00 -0.03 0.00 0.00 54.58 51.12 2kz5 n ASN 80 Cb 0.70 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2kz5 h TYR 81 N 1.48 -0.26 -3.01 3.10 3.20 -1.61 -3.42 116.97 116.45 2kz5 h TYR 81 Ca 0.45 -0.01 -0.58 0.00 3.14 0.00 0.00 58.73 61.73 2kz5 h TYR 81 Cb 2.49 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 40.75 2kz5 h TYR 81 CO 1.33 -0.16 0.79 0.50 -1.64 0.00 0.00 178.16 178.98 2kz5 s ARG 82 N -2.47 3.35 -0.43 1.82 3.52 -1.26 -4.98 118.95 118.49 2kz5 s ARG 82 Ca -0.04 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.45 2kz5 s ARG 82 Cb 0.00 -4.08 0.12 0.00 -1.56 0.00 0.00 34.95 29.44 2kz5 s ARG 82 CO 0.12 -1.70 0.19 0.21 -0.81 0.00 0.00 175.30 173.32 2kz5 s LYS 83 N 4.61 1.49 0.01 5.12 2.36 -1.26 -5.04 119.74 127.02 2kz5 s LYS 83 Ca 0.35 -2.07 -0.00 0.00 -2.55 0.00 0.00 55.97 51.69 2kz5 s LYS 83 Cb -0.10 -2.80 0.00 0.00 -1.05 0.00 0.00 37.83 33.87 2kz5 s LYS 83 CO 0.20 -1.08 0.00 0.54 1.55 0.00 0.00 175.35 176.57 2kz5 n ARG 84 N 3.70 -3.07 -4.39 4.03 5.12 -1.26 -5.06 116.66 115.73 2kz5 n ARG 84 Ca 0.05 2.23 -0.28 0.00 -1.93 0.00 0.00 57.85 57.92 2kz5 n ARG 84 Cb 0.36 -3.00 -0.12 0.00 -1.16 0.00 0.00 32.46 28.54 2kz5 n ARG 84 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2kz5 s LYS 85 N -0.35 1.55 0.09 5.56 -0.14 -1.26 -5.15 119.74 120.04 2kz5 s LYS 85 Ca -0.00 -1.43 -0.03 0.00 -1.36 0.00 0.00 55.97 53.15 2kz5 s LYS 85 Cb 0.00 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.25 2kz5 s LYS 85 CO 0.01 0.42 0.18 1.47 -0.76 0.00 0.00 175.35 176.67 2kz5 n LEU 86 N 0.48 0.00 -4.55 3.17 -0.00 -1.26 -5.09 117.00 109.75 2kz5 n LEU 86 Ca -0.14 -0.64 -0.32 0.00 -0.00 0.00 0.00 56.01 54.90 2kz5 n LEU 86 Cb 0.55 0.86 -0.04 0.00 -0.00 0.00 0.00 43.42 44.79 2kz5 n LEU 86 CO 0.28 -0.20 1.67 -0.70 -0.00 0.00 0.00 177.39 178.44 2kz5 s GLU 87 N -2.06 2.27 -0.03 1.47 2.12 -1.26 -4.95 118.70 116.25 2kz5 s GLU 87 Ca 0.05 0.77 -0.17 0.00 0.36 0.00 0.00 54.97 55.97 2kz5 s GLU 87 Cb -0.01 -4.61 -0.05 0.00 0.26 0.00 0.00 34.13 29.72 2kz5 s GLU 87 CO 0.03 -3.28 0.48 0.95 -0.54 0.00 0.00 175.26 172.91 2kz5 s THR 88 N 11.23 5.02 -0.25 -1.70 -4.23 -1.26 -5.04 115.64 119.41 2kz5 s THR 88 Ca 0.83 0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 62.04 2kz5 s THR 88 Cb -0.13 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.88 2kz5 s THR 88 CO 0.18 0.46 1.50 -0.63 -0.54 0.00 0.00 174.62 175.60 2kz5 s ILE 89 N -0.36 3.85 0.44 2.99 1.01 -1.26 -5.00 121.20 122.87 2kz5 s ILE 89 Ca 0.26 0.96 0.03 0.00 0.00 0.00 0.00 60.65 61.90 2kz5 s ILE 89 Cb -0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2kz5 s ILE 89 CO 0.14 -0.36 0.07 0.68 0.00 0.00 0.00 174.94 175.46 2kz5 s VAL 90 N 4.92 0.95 0.00 2.92 -7.23 -1.26 -5.30 120.40 115.40 2kz5 s VAL 90 Ca 0.66 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2kz5 s VAL 90 Cb -0.22 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2kz5 s VAL 90 CO 0.27 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.73