#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 s GLY 2 N 0.00 2.26 -1.09 3.03 0.00 -1.26 -5.03 107.32 105.24 2kz5 s GLY 2 Ca 0.00 -2.97 -0.18 0.00 0.00 0.00 0.00 44.72 41.57 2kz5 s GLY 2 CO 0.00 1.02 1.38 0.30 0.00 0.00 0.00 173.10 175.80 2kz5 s HIS 3 N 0.30 3.04 -0.35 1.90 4.02 -1.26 -4.98 115.29 117.97 2kz5 s HIS 3 Ca 0.14 -1.52 -0.09 0.00 1.02 0.00 0.00 55.06 54.62 2kz5 s HIS 3 Cb -0.22 -4.46 0.03 0.00 -1.02 0.00 0.00 32.58 26.90 2kz5 s HIS 3 CO -0.03 -1.61 0.15 -1.58 1.02 0.00 0.00 174.74 172.68 2kz5 s HIS 4 N 3.13 3.23 0.22 1.40 5.65 -1.26 -5.08 115.29 122.57 2kz5 s HIS 4 Ca 0.42 -1.10 0.03 0.00 0.25 0.00 0.00 55.06 54.66 2kz5 s HIS 4 Cb -0.02 -2.35 -0.05 0.00 -1.18 0.00 0.00 32.58 28.98 2kz5 s HIS 4 CO -0.04 -0.65 0.01 -1.01 -0.65 0.00 0.00 174.74 172.40 2kz5 s HIS 5 N 1.50 1.47 0.17 3.88 4.02 -1.26 -5.17 115.29 119.89 2kz5 s HIS 5 Ca 0.01 -0.99 0.05 0.00 1.02 0.00 0.00 55.06 55.16 2kz5 s HIS 5 Cb -0.19 -0.85 -0.05 0.00 -1.02 0.00 0.00 32.58 30.47 2kz5 s HIS 5 CO 0.05 -0.13 -0.11 -1.01 1.02 0.00 0.00 174.74 174.56 2kz5 s HIS 6 N -3.53 1.41 -0.30 1.40 4.02 -1.26 -5.16 115.29 111.87 2kz5 s HIS 6 Ca 0.29 -0.72 -0.10 0.00 1.02 0.00 0.00 55.06 55.55 2kz5 s HIS 6 Cb 0.06 -0.70 0.14 0.00 -1.02 0.00 0.00 32.58 31.06 2kz5 s HIS 6 CO 0.08 0.15 0.68 -3.38 1.02 0.00 0.00 174.74 173.30 2kz5 s HIS 7 N -3.23 -1.30 -0.01 1.40 0.00 -1.26 -5.17 115.29 105.72 2kz5 s HIS 7 Ca 0.19 2.14 -0.06 0.00 -3.00 0.00 0.00 55.06 54.34 2kz5 s HIS 7 Cb 0.02 0.74 0.00 0.00 -4.00 0.00 0.00 32.58 29.34 2kz5 s HIS 7 CO 0.03 -0.65 0.12 -1.01 -1.00 0.00 0.00 174.74 172.23 2kz5 s HIS 8 N 2.85 0.00 0.20 0.38 0.09 -1.26 -5.17 115.29 112.38 2kz5 s HIS 8 Ca -0.03 -0.02 -0.15 0.00 -0.00 0.00 0.00 55.06 54.86 2kz5 s HIS 8 Cb -0.12 -0.03 0.01 0.00 -0.00 0.00 0.00 32.58 32.45 2kz5 s HIS 8 CO -0.19 -0.21 0.48 -1.54 -0.00 0.00 0.00 174.74 173.28 2kz5 s SER 9 N -0.95 -0.17 0.04 1.40 1.04 -1.26 -5.19 113.70 108.62 2kz5 s SER 9 Ca -0.10 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 2kz5 s SER 9 Cb -0.06 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2kz5 s SER 9 CO 0.01 -1.06 -0.01 -1.00 0.98 0.00 0.00 173.24 172.16 2kz5 s HIS 10 N -3.92 0.40 -0.03 5.02 0.09 -1.26 -5.16 115.29 110.43 2kz5 s HIS 10 Ca 0.13 -0.83 -0.01 0.00 -0.00 0.00 0.00 55.06 54.35 2kz5 s HIS 10 Cb -0.00 -0.30 0.03 0.00 -0.00 0.00 0.00 32.58 32.31 2kz5 s HIS 10 CO 0.00 -0.32 0.04 0.00 -0.00 0.00 0.00 174.74 174.47 2kz5 s MET 11 N -3.01 -0.01 -0.03 1.40 0.00 -1.26 -5.15 119.30 111.25 2kz5 s MET 11 Ca -0.02 0.28 0.04 0.00 0.00 0.00 0.00 55.69 55.99 2kz5 s MET 11 Cb 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 34.83 34.41 2kz5 s MET 11 CO -0.07 -0.25 -0.14 0.00 0.00 0.00 0.00 175.02 174.56 2kz5 s ALA 12 N 1.67 1.24 0.10 3.16 0.00 -1.26 -5.15 121.76 121.51 2kz5 s ALA 12 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2kz5 s ALA 12 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2kz5 s ALA 12 CO -0.03 0.25 0.12 0.15 0.00 0.00 0.00 175.76 176.25 2kz5 s LYS 13 N -0.08 2.99 -0.39 0.00 1.02 -1.26 -5.07 119.74 116.95 2kz5 s LYS 13 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 2kz5 s LYS 13 Cb -0.08 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2kz5 s LYS 13 CO 0.01 0.55 1.50 -1.25 -0.92 0.00 0.00 175.35 175.24 2kz5 s PRO 14 N -2.61 3.52 0.24 -1.68 0.04 -1.26 -5.02 135.00 128.24 2kz5 s PRO 14 Ca 0.31 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.32 2kz5 s PRO 14 Cb -0.12 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 2kz5 s PRO 14 CO 0.23 -1.63 0.54 -0.08 0.04 0.00 0.00 177.00 176.11 2kz5 s THR 15 N 5.76 4.97 -0.41 1.26 -1.32 -1.26 -5.07 115.64 119.56 2kz5 s THR 15 Ca 0.66 0.36 -0.15 0.00 -1.21 0.00 0.00 61.69 61.34 2kz5 s THR 15 Cb -0.16 -3.64 0.02 0.00 -1.51 0.00 0.00 72.50 67.21 2kz5 s THR 15 CO 0.33 -0.12 0.32 0.00 -2.21 0.00 0.00 174.62 172.93 2kz5 s ALA 16 N -1.87 3.48 -0.46 11.08 0.00 -1.26 -5.04 121.76 127.69 2kz5 s ALA 16 Ca 0.46 -1.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 2kz5 s ALA 16 Cb -0.11 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2kz5 s ALA 16 CO 0.23 -1.48 1.49 0.50 0.00 0.00 0.00 175.76 176.51 2kz5 s ARG 17 N 1.73 3.40 0.00 0.00 6.06 -1.26 -4.38 118.95 124.50 2kz5 s ARG 17 Ca 0.06 0.84 0.00 0.00 -2.50 0.00 0.00 55.73 54.13 2kz5 s ARG 17 Cb -0.19 -4.10 0.00 0.00 0.06 0.00 0.00 34.95 30.72 2kz5 s ARG 17 CO 0.10 -1.79 0.00 0.41 -2.50 0.00 0.00 175.30 171.53 2kz5 n GLY 18 N 5.22 1.67 2.68 8.12 0.00 -1.26 -4.96 105.19 116.66 2kz5 n GLY 18 Ca 0.16 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 2kz5 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kz5 n GLU 19 N 0.00 -1.40 -2.19 1.61 1.02 -1.26 -4.90 120.64 113.51 2kz5 n GLU 19 Ca 0.00 0.53 -0.31 0.00 -0.02 0.00 0.00 57.16 57.37 2kz5 n GLU 19 Cb 0.00 -4.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.71 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kz5 s ALA 20 N -1.56 1.96 0.00 0.62 0.00 -1.26 -4.51 121.76 117.00 2kz5 s ALA 20 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2kz5 s ALA 20 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2kz5 s ALA 20 CO 0.00 -4.49 0.00 0.41 0.00 0.00 0.00 175.76 171.68 2kz5 n GLY 21 N 6.83 -0.30 3.50 0.00 0.00 -1.26 -5.14 105.19 108.81 2kz5 n GLY 21 Ca 0.38 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.82 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 2.00 0.24 0.13 1.61 0.01 -1.26 -5.03 113.70 111.40 2kz5 s SER 22 Ca 0.00 -1.17 -0.32 0.00 1.31 0.00 0.00 55.95 55.77 2kz5 s SER 22 Cb 0.00 0.58 -0.10 0.00 0.21 0.00 0.00 66.02 66.71 2kz5 s SER 22 CO 0.00 -1.15 1.54 -0.09 0.41 0.00 0.00 173.24 173.95 2kz5 h ARG 23 N 2.27 -0.33 -0.93 12.44 2.43 -1.99 -0.96 114.38 127.30 2kz5 h ARG 23 Ca -0.28 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2kz5 h ARG 23 Cb 1.25 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 2kz5 h ARG 23 CO 0.39 -0.22 0.57 -0.44 -1.51 0.00 0.00 179.97 178.77 2kz5 h ASP 24 N -0.34 0.84 -0.29 -3.80 5.19 -1.99 0.08 116.42 116.11 2kz5 h ASP 24 Ca 0.08 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2kz5 h ASP 24 Cb 0.56 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 2kz5 h ASP 24 CO -0.63 0.47 0.14 -0.33 -3.12 0.00 0.00 179.24 175.77 2kz5 h GLU 25 N 0.94 0.29 -0.18 3.56 4.39 -1.76 -1.32 114.58 120.49 2kz5 h GLU 25 Ca 0.45 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 60.02 2kz5 h GLU 25 Cb 0.41 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kz5 h GLU 25 CO -0.25 0.19 -0.37 0.00 -1.16 0.00 0.00 179.01 177.42 2kz5 h ARG 26 N 0.29 0.40 -0.56 2.33 3.08 -0.25 -2.43 114.38 117.24 2kz5 h ARG 26 Ca 0.12 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kz5 h ARG 26 Cb 0.05 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 2kz5 h ARG 26 CO -0.09 0.72 0.35 0.00 -1.07 0.00 0.00 179.97 179.87 2kz5 h ARG 27 N 0.34 0.67 -0.13 0.04 3.08 -0.74 -0.55 114.38 117.09 2kz5 h ARG 27 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kz5 h ARG 27 Cb 0.81 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2kz5 h ARG 27 CO 0.07 0.44 0.08 0.00 -1.07 0.00 0.00 179.97 179.49 2kz5 h ALA 28 N 1.24 0.16 0.00 0.04 0.00 -0.85 -1.94 119.26 117.92 2kz5 h ALA 28 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kz5 h ALA 28 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kz5 h ALA 28 CO -0.09 -0.35 -0.13 1.37 0.00 0.00 0.00 179.25 180.05 2kz5 h LEU 29 N 0.16 0.00 -0.05 0.00 8.10 -1.37 0.18 115.31 122.33 2kz5 h LEU 29 Ca 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.97 2kz5 h LEU 29 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2kz5 h LEU 29 CO -0.01 0.13 -0.24 0.00 -4.11 0.00 0.00 178.44 174.21 2kz5 h ALA 30 N 1.87 0.09 0.00 0.17 0.00 -0.91 -3.20 119.26 117.28 2kz5 h ALA 30 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kz5 h ALA 30 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kz5 h ALA 30 CO 0.02 0.10 -0.10 -1.33 0.00 0.00 0.00 179.25 177.94 2kz5 n MET 31 N -4.51 0.10 -2.50 0.00 2.81 -0.74 -5.00 117.12 107.27 2kz5 n MET 31 Ca -0.09 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.84 2kz5 n MET 31 Cb 0.46 -1.60 0.00 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 -1.77 -2.20 -3.21 0.03 5.02 0.34 -5.01 118.16 111.36 2kz5 n LYS 32 Ca 0.06 1.97 -0.41 0.00 -2.02 0.00 0.00 58.31 57.91 2kz5 n LYS 32 Cb 0.37 -4.59 -0.08 0.00 -0.02 0.00 0.00 35.03 30.71 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 -1.84 4.99 -0.51 -0.18 -1.09 0.35 -4.97 121.20 117.94 2kz5 s ILE 33 Ca 0.11 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 2kz5 s ILE 33 Cb -0.03 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2kz5 s ILE 33 CO 0.60 -0.24 0.61 -0.81 -1.23 0.00 0.00 174.94 173.86 2kz5 n PRO 34 N 5.81 0.82 -3.61 2.79 -0.04 -1.26 -4.76 135.00 134.75 2kz5 n PRO 34 Ca -0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2kz5 n PRO 34 Cb 0.49 -1.25 -0.06 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 -0.43 -0.40 0.39 0.54 -0.12 -1.26 -5.11 117.98 111.59 2kz5 s PHE 35 Ca 0.00 0.51 -0.27 0.00 -0.05 0.00 0.00 56.93 57.12 2kz5 s PHE 35 Cb 0.00 0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 42.59 2kz5 s PHE 35 CO 0.00 -0.59 1.38 -1.25 -0.05 0.00 0.00 175.22 174.71 2kz5 s PRO 36 N -2.11 4.04 0.55 1.99 0.04 -1.26 -4.92 135.00 133.34 2kz5 s PRO 36 Ca -0.07 2.35 0.33 0.00 0.04 0.00 0.00 61.00 63.65 2kz5 s PRO 36 Cb -0.01 -2.87 1.56 0.00 0.04 0.00 0.00 34.50 33.21 2kz5 s PRO 36 CO 0.01 -0.50 2.07 1.79 0.04 0.00 0.00 177.00 180.41 2kz5 h THR 37 N 2.72 0.24 0.68 1.26 1.35 -2.00 -2.95 112.91 114.22 2kz5 h THR 37 Ca -0.50 -0.49 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 2kz5 h THR 37 Cb 1.24 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2kz5 h THR 37 CO 0.63 0.06 -0.41 0.44 -0.25 0.00 0.00 175.52 176.00 2kz5 h ASP 38 N 0.00 -1.03 -0.97 5.36 3.32 -2.00 -2.92 116.42 118.18 2kz5 h ASP 38 Ca -0.00 0.06 0.22 0.00 0.02 0.00 0.00 57.03 57.33 2kz5 h ASP 38 Cb 0.38 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 2kz5 h ASP 38 CO 0.01 -0.65 0.63 0.50 -1.72 0.00 0.00 179.24 178.01 2kz5 h LYS 39 N -1.03 0.42 -0.66 3.56 3.64 -1.91 0.42 116.57 121.01 2kz5 h LYS 39 Ca -0.09 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2kz5 h LYS 39 Cb 0.83 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 2kz5 h LYS 39 CO 0.09 0.28 0.34 0.82 -2.27 0.00 0.00 179.45 178.71 2kz5 h ILE 40 N 0.44 0.90 0.00 2.00 2.04 -1.53 -2.10 117.51 119.25 2kz5 h ILE 40 Ca 0.52 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 2kz5 h ILE 40 Cb 1.27 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2kz5 h ILE 40 CO -0.23 0.11 -1.53 0.52 0.00 0.00 0.00 178.15 177.01 2kz5 n VAL 41 N -4.85 0.31 0.15 1.67 0.31 0.05 -4.42 118.33 111.53 2kz5 n VAL 41 Ca 0.09 -0.53 -0.25 0.00 -0.01 0.00 0.00 64.34 63.64 2kz5 n VAL 41 Cb 0.22 -0.17 -0.16 0.00 -0.91 0.00 0.00 33.84 32.82 2kz5 n VAL 41 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2kz5 h ASN 42 N 0.00 0.84 -4.04 4.52 -0.26 -0.13 -3.47 115.58 113.04 2kz5 h ASN 42 Ca -0.00 -0.92 -0.45 0.00 -0.56 0.00 0.00 56.30 54.36 2kz5 h ASN 42 Cb 1.01 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 2kz5 h ASN 42 CO 0.00 1.71 0.35 -0.76 -1.06 0.00 0.00 177.43 177.68 2kz5 s LEU 43 N -7.60 3.97 1.08 1.61 1.43 -0.80 -5.06 118.68 113.32 2kz5 s LEU 43 Ca -0.09 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.63 2kz5 s LEU 43 Cb 0.04 -4.47 0.23 0.00 0.03 0.00 0.00 46.19 42.02 2kz5 s LEU 43 CO 0.94 -0.43 1.10 -2.16 0.23 0.00 0.00 176.35 176.04 2kz5 s PRO 44 N -3.04 -0.24 0.20 1.29 0.04 -1.26 -4.73 135.00 127.26 2kz5 s PRO 44 Ca 0.62 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 2kz5 s PRO 44 Cb -0.12 -1.68 0.23 0.00 0.04 0.00 0.00 34.50 32.97 2kz5 s PRO 44 CO 0.16 -3.13 1.74 -0.24 0.04 0.00 0.00 177.00 175.58 2kz5 h VAL 45 N -2.17 0.79 0.35 -0.36 3.04 -1.98 -0.64 116.25 115.28 2kz5 h VAL 45 Ca -0.51 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 2kz5 h VAL 45 Cb 1.32 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2kz5 h VAL 45 CO 0.49 0.07 -0.17 -0.78 -1.01 0.00 0.00 177.57 176.17 2kz5 h ASP 46 N 0.38 -0.40 -0.75 3.17 3.58 -2.00 0.89 116.42 121.28 2kz5 h ASP 46 Ca 0.28 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2kz5 h ASP 46 Cb 0.33 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2kz5 h ASP 46 CO -0.28 -0.19 0.45 0.44 -2.88 0.00 0.00 179.24 176.77 2kz5 h ASP 47 N -0.58 0.92 -0.76 2.28 5.19 -1.92 -2.17 116.42 119.38 2kz5 h ASP 47 Ca -0.05 -0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2kz5 h ASP 47 Cb 0.43 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 39.65 2kz5 h ASP 47 CO 0.08 0.72 0.44 0.15 -3.12 0.00 0.00 179.24 177.51 2kz5 h PHE 48 N 1.05 0.82 -0.39 4.55 3.57 -0.69 -0.36 116.94 125.49 2kz5 h PHE 48 Ca 0.27 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.83 2kz5 h PHE 48 Cb -0.02 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 2kz5 h PHE 48 CO 0.01 0.39 0.20 -0.91 -2.23 0.00 0.00 178.31 175.77 2kz5 h ASN 49 N 0.80 0.31 -0.61 0.41 2.35 -0.20 -2.44 115.58 116.21 2kz5 h ASN 49 Ca 0.34 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2kz5 h ASN 49 Cb 0.21 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2kz5 h ASN 49 CO -0.19 0.22 0.36 -0.33 -1.65 0.00 0.00 177.43 175.84 2kz5 h GLU 50 N 0.42 0.84 -0.71 0.81 5.08 -1.08 -2.69 114.58 117.24 2kz5 h GLU 50 Ca 0.16 -0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.59 2kz5 h GLU 50 Cb 0.06 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.03 2kz5 h GLU 50 CO -0.11 0.61 0.19 1.25 -1.00 0.00 0.00 179.01 179.96 2kz5 h LEU 51 N 0.83 0.06 -1.47 1.33 5.85 -0.69 0.27 115.31 121.49 2kz5 h LEU 51 Ca 0.22 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 2kz5 h LEU 51 Cb 0.00 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2kz5 h LEU 51 CO -0.04 -0.00 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.81 2kz5 h LEU 52 N 0.30 0.12 0.07 2.25 3.38 -1.12 -2.91 115.31 117.39 2kz5 h LEU 52 Ca 0.39 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 58.04 2kz5 h LEU 52 Cb 0.64 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2kz5 h LEU 52 CO -0.47 0.31 -1.61 0.00 0.09 0.00 0.00 178.44 176.76 2kz5 h ALA 53 N 1.71 0.47 -0.27 1.53 0.00 -0.83 -3.37 119.26 118.50 2kz5 h ALA 53 Ca 0.02 -1.25 -0.13 0.00 0.00 0.00 0.00 54.91 53.55 2kz5 h ALA 53 Cb 0.39 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kz5 h ALA 53 CO 0.03 1.33 -0.37 0.00 0.00 0.00 0.00 179.25 180.23 2kz5 h ARG 54 N 0.04 0.61 -5.84 0.00 3.08 -0.50 -3.44 114.38 108.34 2kz5 h ARG 54 Ca -0.26 -0.30 -0.64 0.00 0.07 0.00 0.00 59.98 58.85 2kz5 h ARG 54 Cb 1.99 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.98 2kz5 h ARG 54 CO 0.12 0.89 -0.39 0.71 -1.07 0.00 0.00 179.97 180.23 2kz5 s TYR 55 N -4.32 3.60 -0.89 3.04 1.51 -1.11 -5.02 117.35 114.18 2kz5 s TYR 55 Ca -0.08 0.61 -0.25 0.00 -1.01 0.00 0.00 57.07 56.34 2kz5 s TYR 55 Cb 0.12 -2.01 -0.07 0.00 -0.11 0.00 0.00 41.96 39.89 2kz5 s TYR 55 CO 0.83 0.66 2.05 -1.25 -1.11 0.00 0.00 175.55 176.73 2kz5 s PRO 56 N -1.46 2.32 0.02 -1.71 0.04 -1.26 -4.87 135.00 128.07 2kz5 s PRO 56 Ca 0.23 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.18 2kz5 s PRO 56 Cb -0.13 -5.00 -0.03 0.00 0.04 0.00 0.00 34.50 29.37 2kz5 s PRO 56 CO 0.12 -3.67 -0.12 -0.51 0.04 0.00 0.00 177.00 172.87 2kz5 s LEU 57 N 11.28 2.92 0.49 -3.56 1.43 -1.26 -4.98 118.68 125.00 2kz5 s LEU 57 Ca 0.75 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2kz5 s LEU 57 Cb -0.08 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2kz5 s LEU 57 CO 0.02 0.27 0.76 0.42 0.23 0.00 0.00 176.35 178.05 2kz5 s THR 58 N -0.96 4.31 0.28 5.49 -4.23 -1.26 -4.85 115.64 114.42 2kz5 s THR 58 Ca 0.16 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2kz5 s THR 58 Cb -0.11 -3.64 0.27 0.00 1.34 0.00 0.00 72.50 70.37 2kz5 s THR 58 CO 0.06 -0.56 1.73 -0.33 -0.54 0.00 0.00 174.62 174.99 2kz5 h GLU 59 N 0.22 0.51 -0.31 3.99 5.08 -2.00 0.32 114.58 122.38 2kz5 h GLU 59 Ca -0.47 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2kz5 h GLU 59 Cb 1.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2kz5 h GLU 59 CO 0.60 0.34 -0.15 0.77 -1.00 0.00 0.00 179.01 179.56 2kz5 h SER 60 N 0.52 0.54 -0.15 1.42 0.02 -1.99 -2.03 113.55 111.89 2kz5 h SER 60 Ca 0.53 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 2kz5 h SER 60 Cb 0.90 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 2kz5 h SER 60 CO -0.45 0.72 -0.16 1.56 -1.14 0.00 0.00 176.83 177.37 2kz5 h GLN 61 N 0.50 0.37 -0.86 3.45 4.20 -0.84 -0.56 115.11 121.38 2kz5 h GLN 61 Ca 0.09 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 58.70 2kz5 h GLN 61 Cb 0.56 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 2kz5 h GLN 61 CO 0.04 0.76 0.50 -0.07 -0.67 0.00 0.00 178.83 179.38 2kz5 h LEU 62 N 0.01 0.72 -0.13 1.46 4.07 -0.90 0.43 115.31 120.97 2kz5 h LEU 62 Ca 0.02 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.04 2kz5 h LEU 62 Cb 0.69 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2kz5 h LEU 62 CO 0.04 0.41 0.05 0.00 -1.08 0.00 0.00 178.44 177.85 2kz5 h ALA 63 N 1.47 0.14 -0.89 1.53 0.00 -1.23 -1.54 119.26 118.74 2kz5 h ALA 63 Ca 0.41 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2kz5 h ALA 63 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2kz5 h ALA 63 CO -0.25 -0.40 0.59 1.25 0.00 0.00 0.00 179.25 180.44 2kz5 h LEU 64 N 0.12 1.01 -0.43 0.00 5.85 -0.32 0.29 115.31 121.84 2kz5 h LEU 64 Ca 0.05 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2kz5 h LEU 64 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2kz5 h LEU 64 CO -0.05 0.73 0.16 0.58 -0.34 0.00 0.00 178.44 179.52 2kz5 h VAL 65 N 1.19 1.21 -0.12 1.05 2.07 -0.74 -0.84 116.25 120.07 2kz5 h VAL 65 Ca 0.33 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2kz5 h VAL 65 Cb -0.12 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2kz5 h VAL 65 CO -0.08 0.24 -0.38 0.03 0.02 0.00 0.00 177.57 177.40 2kz5 h ARG 66 N 0.55 0.25 0.16 1.57 3.08 -0.98 -0.81 114.38 118.20 2kz5 h ARG 66 Ca 0.14 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2kz5 h ARG 66 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2kz5 h ARG 66 CO -0.01 0.61 -0.11 0.22 -1.07 0.00 0.00 179.97 179.60 2kz5 h ASP 67 N 0.22 -0.28 -0.41 7.04 3.58 0.05 0.12 116.42 126.73 2kz5 h ASP 67 Ca 0.02 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2kz5 h ASP 67 Cb 0.78 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2kz5 h ASP 67 CO 0.06 -0.18 0.08 0.40 -2.88 0.00 0.00 179.24 176.72 2kz5 h ILE 68 N -0.27 1.24 -0.79 2.25 2.04 -1.13 -3.00 117.51 117.85 2kz5 h ILE 68 Ca -0.01 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.12 2kz5 h ILE 68 Cb 0.24 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 2kz5 h ILE 68 CO 0.00 0.29 0.40 -0.09 0.00 0.00 0.00 178.15 178.75 2kz5 h ARG 69 N 0.53 0.59 0.63 2.37 1.12 -0.95 -0.51 114.38 118.15 2kz5 h ARG 69 Ca 0.13 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 2kz5 h ARG 69 Cb 0.36 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 2kz5 h ARG 69 CO 0.01 0.39 -0.49 -0.09 -3.11 0.00 0.00 179.97 176.68 2kz5 h ARG 70 N 0.61 -1.04 -0.61 0.20 2.43 -0.63 -1.24 114.38 114.11 2kz5 h ARG 70 Ca 0.41 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.69 2kz5 h ARG 70 Cb 0.52 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2kz5 h ARG 70 CO -0.32 -0.69 0.40 0.00 -1.51 0.00 0.00 179.97 177.85 2kz5 h ARG 71 N -1.08 0.70 -0.30 0.20 3.08 -1.36 0.62 114.38 116.24 2kz5 h ARG 71 Ca -0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2kz5 h ARG 71 Cb 0.90 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2kz5 h ARG 71 CO 0.02 0.46 0.11 0.78 -1.07 0.00 0.00 179.97 180.27 2kz5 h GLY 72 N 0.72 0.49 0.75 0.04 0.00 -0.86 -3.23 103.07 100.98 2kz5 h GLY 72 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2kz5 h GLY 72 CO -0.07 0.26 -0.81 0.28 0.00 0.00 0.00 176.54 176.21 2kz5 n LYS 73 N -4.72 0.18 0.23 4.80 5.02 -0.49 -3.87 118.16 119.31 2kz5 n LYS 73 Ca -0.02 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 2kz5 n LYS 73 Cb 0.15 -1.57 0.53 0.00 -0.02 0.00 0.00 35.03 34.12 2kz5 n LYS 73 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2kz5 h ASN 74 N 0.00 0.01 -0.97 4.39 -1.24 0.23 -0.29 115.58 117.72 2kz5 h ASN 74 Ca 0.00 -0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.13 2kz5 h ASN 74 Cb 0.64 -0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.61 2kz5 h ASN 74 CO 0.00 0.15 0.62 0.50 -1.29 0.00 0.00 177.43 177.40 2kz5 h LYS 75 N 0.01 0.91 0.01 6.67 3.64 -1.67 0.22 116.57 126.36 2kz5 h LYS 75 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2kz5 h LYS 75 Cb 0.25 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kz5 h LYS 75 CO 0.02 0.60 -0.50 0.28 -2.27 0.00 0.00 179.45 177.57 2kz5 h VAL 76 N 0.93 1.48 -0.73 2.00 2.07 -1.37 -3.31 116.25 117.32 2kz5 h VAL 76 Ca 0.48 -2.08 0.12 0.00 0.82 0.00 0.00 66.70 66.03 2kz5 h VAL 76 Cb 0.51 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 2kz5 h VAL 76 CO -0.24 0.59 0.48 0.00 0.02 0.00 0.00 177.57 178.43 2kz5 h ALA 77 N 0.27 1.96 -0.60 1.67 0.00 -0.43 -0.19 119.26 121.94 2kz5 h ALA 77 Ca -0.07 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kz5 h ALA 77 Cb 1.24 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2kz5 h ALA 77 CO 0.10 -0.13 0.40 0.00 0.00 0.00 0.00 179.25 179.62 2kz5 h ALA 78 N 1.64 1.91 -0.01 0.00 0.00 -0.67 0.51 119.26 122.64 2kz5 h ALA 78 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2kz5 h ALA 78 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kz5 h ALA 78 CO -0.12 -0.02 -0.16 1.04 0.00 0.00 0.00 179.25 179.99 2kz5 n GLN 79 N -4.48 1.26 -0.48 0.00 1.13 -0.12 -3.89 117.38 110.81 2kz5 n GLN 79 Ca 0.09 -0.79 0.05 0.00 -1.94 0.00 0.00 57.00 54.41 2kz5 n GLN 79 Cb 0.30 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.24 2kz5 n GLN 79 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2kz5 n ASN 80 N -0.18 1.17 0.03 1.08 3.02 -0.23 -4.86 115.26 115.29 2kz5 n ASN 80 Ca 0.15 -2.61 -0.19 0.00 -0.03 0.00 0.00 54.58 51.89 2kz5 n ASN 80 Cb 0.38 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.24 0.80 -1.90 3.10 3.20 -0.17 -3.38 116.97 118.85 2kz5 h TYR 81 Ca -0.03 -0.45 -0.73 0.00 3.14 0.00 0.00 58.73 60.66 2kz5 h TYR 81 Cb 1.27 -0.08 -0.16 0.00 1.54 0.00 0.00 36.73 39.30 2kz5 h TYR 81 CO 0.15 1.29 1.53 1.03 -1.64 0.00 0.00 178.16 180.52 2kz5 s ARG 82 N -3.15 4.08 -0.06 1.82 1.81 -1.26 -4.98 118.95 117.21 2kz5 s ARG 82 Ca -0.12 -2.47 -0.30 0.00 -1.72 0.00 0.00 55.73 51.12 2kz5 s ARG 82 Cb 0.05 -5.16 -0.02 0.00 -0.45 0.00 0.00 34.95 29.36 2kz5 s ARG 82 CO 0.87 -1.87 0.99 -1.59 -0.68 0.00 0.00 175.30 173.02 2kz5 s LYS 83 N 2.11 4.48 0.37 3.54 -2.85 -1.26 -5.04 119.74 121.09 2kz5 s LYS 83 Ca 0.45 1.39 -0.22 0.00 -1.00 0.00 0.00 55.97 56.59 2kz5 s LYS 83 Cb -0.01 -3.50 -0.10 0.00 -2.06 0.00 0.00 37.83 32.15 2kz5 s LYS 83 CO 0.02 -0.19 0.92 1.03 0.10 0.00 0.00 175.35 177.23 2kz5 s ARG 84 N 1.54 4.33 -0.24 1.78 0.52 -1.26 -5.06 118.95 120.57 2kz5 s ARG 84 Ca 0.50 1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 56.81 2kz5 s ARG 84 Cb -0.19 -2.45 0.09 0.00 0.52 0.00 0.00 34.95 32.92 2kz5 s ARG 84 CO 0.22 0.12 0.17 0.21 0.02 0.00 0.00 175.30 176.04 2kz5 s LYS 85 N -2.71 0.18 0.35 3.54 2.20 -1.26 -5.15 119.74 116.89 2kz5 s LYS 85 Ca 0.56 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.88 2kz5 s LYS 85 Cb -0.13 -1.28 -0.08 0.00 -1.51 0.00 0.00 37.83 34.84 2kz5 s LYS 85 CO 0.17 -0.84 0.73 -0.51 -0.36 0.00 0.00 175.35 174.54 2kz5 s LEU 86 N 2.21 3.98 -0.29 5.43 2.01 -1.26 -5.01 118.68 125.75 2kz5 s LEU 86 Ca 0.07 1.16 -0.28 0.00 0.01 0.00 0.00 54.13 55.09 2kz5 s LEU 86 Cb -0.16 -4.00 -0.03 0.00 0.01 0.00 0.00 46.19 42.02 2kz5 s LEU 86 CO -0.23 -0.27 1.90 -1.61 1.01 0.00 0.00 176.35 177.15 2kz5 s GLU 87 N -3.35 3.32 -0.46 1.70 2.02 -1.26 -4.97 118.70 115.71 2kz5 s GLU 87 Ca 0.52 1.62 -0.12 0.00 0.02 0.00 0.00 54.97 57.02 2kz5 s GLU 87 Cb -0.10 -4.23 0.09 0.00 0.10 0.00 0.00 34.13 29.98 2kz5 s GLU 87 CO 0.24 -1.87 0.34 0.99 0.02 0.00 0.00 175.26 174.98 2kz5 s THR 88 N 7.12 4.61 -1.03 3.63 2.01 -1.26 -5.03 115.64 125.70 2kz5 s THR 88 Ca 0.85 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 2kz5 s THR 88 Cb -0.26 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2kz5 s THR 88 CO 0.34 -0.62 1.87 -0.63 -0.69 0.00 0.00 174.62 174.89 2kz5 s ILE 89 N 1.49 3.57 0.42 1.82 1.01 -1.26 -4.96 121.20 123.30 2kz5 s ILE 89 Ca 0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 2kz5 s ILE 89 Cb -0.25 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 37.77 2kz5 s ILE 89 CO 0.03 -1.14 1.15 0.54 0.00 0.00 0.00 174.94 175.52 2kz5 s VAL 90 N 9.43 3.20 -2.72 2.92 0.11 -1.26 -5.36 120.40 126.71 2kz5 s VAL 90 Ca 0.66 0.95 0.26 0.00 -2.93 0.00 0.00 61.98 60.92 2kz5 s VAL 90 Cb -0.03 -3.51 0.39 0.00 -1.53 0.00 0.00 36.38 31.70 2kz5 s VAL 90 CO 0.03 0.04 1.53 0.00 -3.33 0.00 0.00 175.10 173.37