#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 h GLY 2 N 0.00 0.69 -6.98 -5.12 0.00 -2.08 -3.40 103.07 86.18 2kz5 h GLY 2 Ca 0.00 -1.35 -0.71 0.00 0.00 0.00 0.00 47.33 45.27 2kz5 h GLY 2 CO 0.00 1.19 1.37 1.57 0.00 0.00 0.00 176.54 180.67 2kz5 n HIS 3 N -3.80 1.43 -1.07 5.60 -0.00 -1.26 -1.34 115.22 114.79 2kz5 n HIS 3 Ca -0.12 0.48 -0.02 0.00 -0.00 0.00 0.00 57.72 58.06 2kz5 n HIS 3 Cb 0.94 -2.43 -0.01 0.00 -0.00 0.00 0.00 29.99 28.49 2kz5 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kz5 n HIS 4 N 8.82 0.00 -2.61 1.57 -0.00 -1.26 -4.94 115.22 116.80 2kz5 n HIS 4 Ca 0.46 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.77 2kz5 n HIS 4 Cb 0.12 -1.43 -0.03 0.00 -0.00 0.00 0.00 29.99 28.65 2kz5 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kz5 s HIS 5 N -1.58 2.43 0.07 1.57 5.65 -0.45 -4.98 115.29 118.00 2kz5 s HIS 5 Ca 0.00 -0.38 0.05 0.00 0.25 0.00 0.00 55.06 54.98 2kz5 s HIS 5 Cb 0.00 -4.59 -0.03 0.00 -1.18 0.00 0.00 32.58 26.79 2kz5 s HIS 5 CO 0.00 -1.96 -0.13 -1.58 -0.65 0.00 0.00 174.74 170.42 2kz5 s HIS 6 N 5.18 1.13 0.77 3.88 5.65 -1.26 -5.01 115.29 125.62 2kz5 s HIS 6 Ca 0.36 -0.48 -0.02 0.00 0.25 0.00 0.00 55.06 55.17 2kz5 s HIS 6 Cb -0.07 -0.63 0.15 0.00 -1.18 0.00 0.00 32.58 30.85 2kz5 s HIS 6 CO 0.07 0.03 1.06 -1.01 -0.65 0.00 0.00 174.74 174.24 2kz5 s HIS 7 N -1.38 1.31 -0.12 3.88 4.02 -1.26 -5.12 115.29 116.62 2kz5 s HIS 7 Ca -0.03 -0.31 -0.04 0.00 1.02 0.00 0.00 55.06 55.71 2kz5 s HIS 7 Cb -0.09 -3.11 0.05 0.00 -1.02 0.00 0.00 32.58 28.40 2kz5 s HIS 7 CO 0.02 -1.94 0.11 -1.01 1.02 0.00 0.00 174.74 172.94 2kz5 s HIS 8 N -3.26 0.02 0.28 1.40 4.02 -1.26 -5.16 115.29 111.33 2kz5 s HIS 8 Ca 0.69 0.11 0.00 0.00 1.02 0.00 0.00 55.06 56.88 2kz5 s HIS 8 Cb -0.04 -0.50 -0.02 0.00 -1.02 0.00 0.00 32.58 31.00 2kz5 s HIS 8 CO 0.46 -0.38 0.29 0.45 1.02 0.00 0.00 174.74 176.58 2kz5 s SER 9 N 2.20 0.84 -0.07 1.40 0.15 -1.26 -5.19 113.70 111.78 2kz5 s SER 9 Ca 0.04 -1.50 -0.28 0.00 0.70 0.00 0.00 55.95 54.91 2kz5 s SER 9 Cb -0.14 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2kz5 s SER 9 CO -0.07 -1.05 0.62 -1.38 1.20 0.00 0.00 173.24 172.56 2kz5 s HIS 10 N -3.65 -0.60 -0.11 3.44 0.00 -1.26 -5.17 115.29 107.94 2kz5 s HIS 10 Ca 0.36 1.08 -0.03 0.00 -3.00 0.00 0.00 55.06 53.47 2kz5 s HIS 10 Cb 0.03 0.35 -0.03 0.00 -4.00 0.00 0.00 32.58 28.92 2kz5 s HIS 10 CO 0.19 -0.55 0.00 1.41 -1.00 0.00 0.00 174.74 174.80 2kz5 s MET 11 N -1.03 3.28 -0.70 -0.38 -2.45 -1.26 -5.06 119.30 111.70 2kz5 s MET 11 Ca -0.10 -0.42 -0.27 0.00 -1.25 0.00 0.00 55.69 53.65 2kz5 s MET 11 Cb -0.01 -2.88 0.02 0.00 1.25 0.00 0.00 34.83 33.21 2kz5 s MET 11 CO 0.08 0.54 1.34 0.00 1.05 0.00 0.00 175.02 178.03 2kz5 s ALA 12 N -0.44 2.73 -0.03 4.11 0.00 -1.26 -4.99 121.76 121.88 2kz5 s ALA 12 Ca 0.08 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 2kz5 s ALA 12 Cb -0.12 -4.23 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 2kz5 s ALA 12 CO 0.02 -3.25 1.32 -1.59 0.00 0.00 0.00 175.76 172.26 2kz5 s LYS 13 N 5.76 4.31 0.63 0.00 -2.85 -1.26 -5.05 119.74 121.28 2kz5 s LYS 13 Ca 0.40 1.85 0.01 0.00 -1.00 0.00 0.00 55.97 57.23 2kz5 s LYS 13 Cb -0.09 -3.57 0.08 0.00 -2.06 0.00 0.00 37.83 32.19 2kz5 s LYS 13 CO 0.18 -0.53 0.87 -1.25 0.10 0.00 0.00 175.35 174.72 2kz5 s PRO 14 N 2.37 2.15 -0.08 1.78 0.04 -1.26 -5.13 135.00 134.87 2kz5 s PRO 14 Ca 0.61 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.70 2kz5 s PRO 14 Cb -0.29 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.84 2kz5 s PRO 14 CO 0.24 -1.05 -0.15 0.95 0.04 0.00 0.00 177.00 177.04 2kz5 s THR 15 N -2.93 1.37 -0.36 1.26 -4.23 -1.26 -5.12 115.64 104.38 2kz5 s THR 15 Ca 0.61 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 2kz5 s THR 15 Cb -0.08 -1.24 -0.00 0.00 1.34 0.00 0.00 72.50 72.52 2kz5 s THR 15 CO 0.41 0.41 0.44 0.00 -0.54 0.00 0.00 174.62 175.34 2kz5 s ALA 16 N 0.69 3.48 -0.32 3.99 0.00 -1.26 -5.03 121.76 123.31 2kz5 s ALA 16 Ca -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2kz5 s ALA 16 Cb -0.16 -2.94 0.10 0.00 0.00 0.00 0.00 23.12 20.12 2kz5 s ALA 16 CO 0.03 -1.22 0.12 1.03 0.00 0.00 0.00 175.76 175.73 2kz5 s ARG 17 N 2.21 0.65 -1.32 0.00 0.52 -1.26 -5.06 118.95 114.69 2kz5 s ARG 17 Ca 0.15 -1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 2kz5 s ARG 17 Cb -0.16 -1.83 0.13 0.00 0.52 0.00 0.00 34.95 33.61 2kz5 s ARG 17 CO 0.13 -1.02 1.94 0.41 0.02 0.00 0.00 175.30 176.78 2kz5 n GLY 18 N 4.78 4.54 3.00 -3.53 0.00 -1.26 -4.94 105.19 107.78 2kz5 n GLY 18 Ca -0.01 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 2kz5 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kz5 s GLU 19 N 1.29 0.64 0.00 1.61 -1.05 -1.26 -5.14 118.70 114.79 2kz5 s GLU 19 Ca 0.42 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 2kz5 s GLU 19 Cb 0.10 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 33.17 2kz5 s GLU 19 CO -0.02 0.16 0.00 0.00 0.95 0.00 0.00 175.26 176.35 2kz5 n ALA 20 N 2.94 0.00 -0.02 -0.84 0.00 -1.26 -5.01 120.51 116.32 2kz5 n ALA 20 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2kz5 n ALA 20 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 2kz5 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kz5 n GLY 21 N -0.04 -0.41 3.79 0.00 0.00 -1.26 -5.09 105.19 102.17 2kz5 n GLY 21 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2kz5 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz5 s SER 22 N -4.61 4.61 0.11 1.61 0.01 -1.26 -5.04 113.70 109.14 2kz5 s SER 22 Ca -0.07 -0.99 -0.24 0.00 1.31 0.00 0.00 55.95 55.96 2kz5 s SER 22 Cb 0.01 -0.46 -0.09 0.00 0.21 0.00 0.00 66.02 65.69 2kz5 s SER 22 CO 0.10 -0.60 1.68 -0.09 0.41 0.00 0.00 173.24 174.74 2kz5 h ARG 23 N 1.28 -0.23 -0.08 12.44 2.43 -2.01 -2.23 114.38 125.97 2kz5 h ARG 23 Ca -0.42 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 2kz5 h ARG 23 Cb 1.26 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2kz5 h ARG 23 CO 0.66 -0.15 0.07 -0.44 -1.51 0.00 0.00 179.97 178.59 2kz5 h ASP 24 N -0.24 0.00 0.66 -3.80 3.32 -2.01 0.53 116.42 114.88 2kz5 h ASP 24 Ca 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2kz5 h ASP 24 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2kz5 h ASP 24 CO -0.11 0.00 -0.29 -0.33 -1.72 0.00 0.00 179.24 176.80 2kz5 h GLU 25 N 0.00 0.00 -0.72 3.56 5.08 -1.81 -2.80 114.58 117.89 2kz5 h GLU 25 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2kz5 h GLU 25 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2kz5 h GLU 25 CO -0.00 0.29 0.41 0.00 -1.00 0.00 0.00 179.01 178.70 2kz5 h ARG 26 N 0.00 1.00 -0.80 2.33 2.47 -0.72 -2.91 114.38 115.76 2kz5 h ARG 26 Ca -0.00 -0.11 0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2kz5 h ARG 26 Cb 0.69 -0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 2kz5 h ARG 26 CO 0.04 0.74 0.47 0.00 0.56 0.00 0.00 179.97 181.78 2kz5 h ARG 27 N 0.99 0.82 0.66 0.04 -0.00 -1.52 -0.54 114.38 114.83 2kz5 h ARG 27 Ca 0.26 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.65 2kz5 h ARG 27 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 29.97 29.81 2kz5 h ARG 27 CO -0.04 0.54 -0.32 0.00 0.00 0.00 0.00 179.97 180.15 2kz5 h ALA 28 N 1.41 -0.89 -0.21 0.04 0.00 -1.56 -2.44 119.26 115.60 2kz5 h ALA 28 Ca 0.36 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2kz5 h ALA 28 Cb 0.24 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kz5 h ALA 28 CO -0.20 -0.90 -0.15 1.37 0.00 0.00 0.00 179.25 179.36 2kz5 h LEU 29 N -1.08 0.34 -0.21 0.00 8.10 -1.44 0.18 115.31 121.19 2kz5 h LEU 29 Ca -0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 57.88 57.79 2kz5 h LEU 29 Cb 0.72 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2kz5 h LEU 29 CO 0.15 0.52 0.02 0.00 -4.11 0.00 0.00 178.44 175.02 2kz5 h ALA 30 N 1.52 0.28 -0.15 0.17 0.00 -1.12 -2.84 119.26 117.12 2kz5 h ALA 30 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kz5 h ALA 30 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kz5 h ALA 30 CO 0.03 -0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2kz5 n MET 31 N -4.71 1.68 -2.49 0.00 2.81 -0.92 -4.93 117.12 108.56 2kz5 n MET 31 Ca -0.04 -1.03 -0.19 0.00 -1.81 0.00 0.00 57.70 54.63 2kz5 n MET 31 Cb 0.20 -1.39 -0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.25 -2.15 -1.64 0.03 4.76 0.32 -4.91 118.16 114.82 2kz5 n LYS 32 Ca 0.16 0.90 -0.45 0.00 -2.87 0.00 0.00 58.31 56.05 2kz5 n LYS 32 Cb 0.31 -5.49 -0.04 0.00 -1.84 0.00 0.00 35.03 27.97 2kz5 n LYS 32 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2kz5 n ILE 33 N -4.10 0.58 1.07 -0.18 2.08 0.35 -4.85 119.36 114.31 2kz5 n ILE 33 Ca -0.20 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 62.91 2kz5 n ILE 33 Cb 0.66 -2.16 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 2kz5 n ILE 33 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kz5 n PRO 34 N 7.53 0.63 -3.85 0.38 -0.04 -1.26 -4.72 135.00 133.67 2kz5 n PRO 34 Ca 0.25 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2kz5 n PRO 34 Cb 0.36 -1.10 -0.10 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 -1.70 -0.01 0.60 0.54 -0.71 -1.26 -5.13 117.98 110.32 2kz5 s PHE 35 Ca 0.00 -0.04 -0.15 0.00 -1.04 0.00 0.00 56.93 55.70 2kz5 s PHE 35 Cb 0.00 -0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 2kz5 s PHE 35 CO 0.00 -0.29 1.05 -1.25 -1.34 0.00 0.00 175.22 173.39 2kz5 s PRO 36 N -1.28 3.34 0.15 1.99 0.04 -1.26 -4.99 135.00 132.99 2kz5 s PRO 36 Ca -0.14 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 2kz5 s PRO 36 Cb -0.07 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2kz5 s PRO 36 CO 0.02 -0.79 1.59 1.79 0.04 0.00 0.00 177.00 179.64 2kz5 h THR 37 N 0.33 1.27 -0.55 1.26 1.35 -1.97 -3.11 112.91 111.47 2kz5 h THR 37 Ca -0.46 -1.17 0.11 0.00 -0.55 0.00 0.00 66.41 64.34 2kz5 h THR 37 Cb 1.21 1.01 -0.09 0.00 -1.73 0.00 0.00 68.15 68.55 2kz5 h THR 37 CO 0.58 0.41 0.01 -2.24 -0.25 0.00 0.00 175.52 174.03 2kz5 h ASP 38 N 0.78 -0.22 -0.11 5.36 3.04 -2.00 -1.23 116.42 122.05 2kz5 h ASP 38 Ca 0.14 0.13 0.04 0.00 -3.24 0.00 0.00 57.03 54.10 2kz5 h ASP 38 Cb 0.59 0.23 -0.05 0.00 -1.04 0.00 0.00 39.33 39.07 2kz5 h ASP 38 CO 0.04 -0.08 -0.18 0.50 -2.04 0.00 0.00 179.24 177.47 2kz5 h LYS 39 N 0.13 -0.23 -0.99 4.15 3.64 -1.95 -2.22 116.57 119.10 2kz5 h LYS 39 Ca 0.28 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.86 2kz5 h LYS 39 Cb 0.44 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 2kz5 h LYS 39 CO -0.46 -0.15 0.59 0.82 -2.27 0.00 0.00 179.45 177.98 2kz5 h ILE 40 N -0.24 0.72 -0.03 2.00 2.04 -1.19 -0.65 117.51 120.17 2kz5 h ILE 40 Ca 0.09 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 2kz5 h ILE 40 Cb 0.37 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2kz5 h ILE 40 CO -0.25 0.14 -0.46 0.58 0.00 0.00 0.00 178.15 178.17 2kz5 h VAL 41 N 0.77 1.44 0.00 1.67 2.07 -1.13 -3.32 116.25 117.75 2kz5 h VAL 41 Ca 0.56 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2kz5 h VAL 41 Cb 0.84 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2kz5 h VAL 41 CO -0.37 0.56 0.00 0.78 0.02 0.00 0.00 177.57 178.56 2kz5 h ASN 42 N -0.17 0.00 -3.20 0.57 2.35 -0.92 -3.45 115.58 110.77 2kz5 h ASN 42 Ca -0.05 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 2kz5 h ASN 42 Cb 1.16 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.54 2kz5 h ASN 42 CO 0.09 0.00 0.61 -0.76 -1.65 0.00 0.00 177.43 175.72 2kz5 s LEU 43 N -5.99 4.39 0.92 1.61 1.43 -0.30 -5.04 118.68 115.71 2kz5 s LEU 43 Ca 0.06 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 2kz5 s LEU 43 Cb 0.07 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.85 2kz5 s LEU 43 CO 0.62 -0.51 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 2kz5 s PRO 44 N 0.78 1.02 0.37 1.29 0.04 -1.26 -4.66 135.00 132.58 2kz5 s PRO 44 Ca 0.59 0.91 0.14 0.00 0.04 0.00 0.00 61.00 62.68 2kz5 s PRO 44 Cb -0.33 -1.78 0.97 0.00 0.04 0.00 0.00 34.50 33.41 2kz5 s PRO 44 CO 0.31 -2.43 1.80 -0.24 0.04 0.00 0.00 177.00 176.48 2kz5 h VAL 45 N -1.69 0.63 0.51 -0.36 3.04 -1.97 0.53 116.25 116.94 2kz5 h VAL 45 Ca -0.50 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 2kz5 h VAL 45 Cb 1.29 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2kz5 h VAL 45 CO 0.53 0.10 -0.30 0.44 -1.01 0.00 0.00 177.57 177.32 2kz5 h ASP 46 N 0.53 -0.75 0.04 3.17 5.19 -2.01 -2.23 116.42 120.36 2kz5 h ASP 46 Ca 0.56 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 57.00 2kz5 h ASP 46 Cb 1.20 0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.92 2kz5 h ASP 46 CO -0.30 -0.47 -0.03 0.44 -3.12 0.00 0.00 179.24 175.77 2kz5 h ASP 47 N -0.76 0.00 0.76 6.45 3.32 -1.76 -2.40 116.42 122.04 2kz5 h ASP 47 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2kz5 h ASP 47 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.16 2kz5 h ASP 47 CO 0.08 0.03 -0.37 0.15 -1.72 0.00 0.00 179.24 177.41 2kz5 h PHE 48 N 0.00 -0.95 -0.31 4.55 3.57 -0.75 0.32 116.94 123.38 2kz5 h PHE 48 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2kz5 h PHE 48 Cb 0.05 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2kz5 h PHE 48 CO 0.00 -0.58 -0.00 -0.91 -2.23 0.00 0.00 178.31 174.59 2kz5 h ASN 49 N -1.07 0.44 -0.03 0.41 2.35 -1.20 -1.86 115.58 114.61 2kz5 h ASN 49 Ca -0.10 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 2kz5 h ASN 49 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2kz5 h ASN 49 CO 0.17 0.50 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.73 2kz5 h GLU 50 N 0.45 0.54 -0.77 0.81 3.07 -1.36 -3.12 114.58 114.20 2kz5 h GLU 50 Ca 0.10 -0.27 0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2kz5 h GLU 50 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2kz5 h GLU 50 CO 0.01 0.85 0.49 1.25 -1.40 0.00 0.00 179.01 180.20 2kz5 h LEU 51 N 0.45 0.81 -2.34 1.33 5.85 0.46 -1.06 115.31 120.80 2kz5 h LEU 51 Ca 0.04 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kz5 h LEU 51 Cb 0.89 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2kz5 h LEU 51 CO 0.08 0.56 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.66 2kz5 h LEU 52 N 0.95 0.00 -0.72 2.25 3.38 -1.38 -1.17 115.31 118.62 2kz5 h LEU 52 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kz5 h LEU 52 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kz5 h LEU 52 CO -0.11 0.01 -0.09 0.00 0.09 0.00 0.00 178.44 178.34 2kz5 n ALA 53 N -2.09 2.75 -0.10 1.53 0.00 -0.42 -4.33 120.51 117.84 2kz5 n ALA 53 Ca -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 2kz5 n ALA 53 Cb 0.17 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 2kz5 n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz5 n ARG 54 N -0.22 0.52 -3.60 0.00 1.74 -0.45 -5.01 116.66 109.65 2kz5 n ARG 54 Ca 0.17 0.37 -0.34 0.00 -0.77 0.00 0.00 57.85 57.28 2kz5 n ARG 54 Cb 0.33 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.56 3.55 -0.39 -1.55 2.02 -1.18 -5.03 117.35 112.21 2kz5 s TYR 55 Ca -0.27 0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 56.88 2kz5 s TYR 55 Cb 0.06 -2.12 -0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2kz5 s TYR 55 CO 0.40 0.49 1.61 -1.25 -1.57 0.00 0.00 175.55 175.24 2kz5 s PRO 56 N -2.09 3.41 0.03 -1.71 0.04 -1.26 -4.89 135.00 128.53 2kz5 s PRO 56 Ca 0.35 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.56 2kz5 s PRO 56 Cb -0.13 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 2kz5 s PRO 56 CO 0.19 -1.77 -0.14 -0.51 0.04 0.00 0.00 177.00 174.82 2kz5 s LEU 57 N 6.28 2.15 0.47 -3.56 1.43 -1.26 -4.94 118.68 119.25 2kz5 s LEU 57 Ca 0.70 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2kz5 s LEU 57 Cb -0.17 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 2kz5 s LEU 57 CO 0.32 0.05 0.76 0.42 0.23 0.00 0.00 176.35 178.13 2kz5 s THR 58 N -0.78 4.87 0.45 5.49 -4.23 -1.26 -4.86 115.64 115.32 2kz5 s THR 58 Ca 0.02 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 60.88 2kz5 s THR 58 Cb -0.08 -3.84 0.45 0.00 1.34 0.00 0.00 72.50 70.37 2kz5 s THR 58 CO 0.01 -0.79 1.78 -0.33 -0.54 0.00 0.00 174.62 174.75 2kz5 h GLU 59 N 0.28 0.23 -0.41 3.99 3.07 -2.01 0.53 114.58 120.25 2kz5 h GLU 59 Ca -0.47 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.25 2kz5 h GLU 59 Cb 1.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2kz5 h GLU 59 CO 0.61 0.15 -0.21 1.03 -1.40 0.00 0.00 179.01 179.20 2kz5 h SER 60 N 0.24 0.90 -0.42 1.42 0.87 -2.01 -3.05 113.55 111.49 2kz5 h SER 60 Ca 0.59 -0.41 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2kz5 h SER 60 Cb 1.80 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2kz5 h SER 60 CO -0.20 1.11 -0.02 1.56 -0.53 0.00 0.00 176.83 178.75 2kz5 h GLN 61 N 0.69 0.76 -0.91 2.24 4.20 -0.35 -2.54 115.11 119.21 2kz5 h GLN 61 Ca 0.09 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.60 2kz5 h GLN 61 Cb 0.77 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 2kz5 h GLN 61 CO 0.06 0.85 0.59 -0.07 -0.67 0.00 0.00 178.83 179.60 2kz5 h LEU 62 N 0.60 0.94 -0.26 1.46 4.07 -1.33 -0.87 115.31 119.92 2kz5 h LEU 62 Ca 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2kz5 h LEU 62 Cb 0.52 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 2kz5 h LEU 62 CO 0.03 0.63 0.17 0.00 -1.08 0.00 0.00 178.44 178.18 2kz5 h ALA 63 N 1.49 0.33 -0.64 1.53 0.00 -1.40 -2.71 119.26 117.86 2kz5 h ALA 63 Ca 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2kz5 h ALA 63 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kz5 h ALA 63 CO -0.13 -0.19 0.43 1.25 0.00 0.00 0.00 179.25 180.60 2kz5 h LEU 64 N 0.34 0.74 -0.90 0.00 5.85 -0.95 -1.44 115.31 118.95 2kz5 h LEU 64 Ca 0.09 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2kz5 h LEU 64 Cb -0.03 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2kz5 h LEU 64 CO -0.02 0.53 0.54 0.58 -0.34 0.00 0.00 178.44 179.73 2kz5 h VAL 65 N 0.87 0.93 -0.34 1.05 2.07 -1.01 -0.21 116.25 119.61 2kz5 h VAL 65 Ca 0.24 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 2kz5 h VAL 65 Cb -0.10 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2kz5 h VAL 65 CO -0.05 0.16 -0.39 0.03 0.02 0.00 0.00 177.57 177.34 2kz5 h ARG 66 N 0.89 0.81 -0.10 1.57 3.08 -1.15 -0.70 114.38 118.78 2kz5 h ARG 66 Ca 0.43 -0.42 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2kz5 h ARG 66 Cb 0.39 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2kz5 h ARG 66 CO -0.25 1.05 -0.06 0.22 -1.07 0.00 0.00 179.97 179.86 2kz5 h ASP 67 N 0.66 -0.20 -0.27 7.04 3.58 -0.14 0.15 116.42 127.23 2kz5 h ASP 67 Ca 0.05 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2kz5 h ASP 67 Cb 0.96 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kz5 h ASP 67 CO 0.09 -0.09 0.08 0.40 -2.88 0.00 0.00 179.24 176.84 2kz5 h ILE 68 N -0.07 1.20 -0.89 2.25 2.04 -1.09 -2.82 117.51 118.13 2kz5 h ILE 68 Ca 0.06 -0.64 0.16 0.00 1.00 0.00 0.00 64.86 65.44 2kz5 h ILE 68 Cb 0.16 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2kz5 h ILE 68 CO -0.14 0.21 0.58 -0.09 0.00 0.00 0.00 178.15 178.71 2kz5 h ARG 69 N 0.28 0.60 -0.02 2.37 1.12 -0.83 -2.43 114.38 115.48 2kz5 h ARG 69 Ca 0.09 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 2kz5 h ARG 69 Cb 0.25 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 2kz5 h ARG 69 CO -0.00 0.40 -0.04 -0.09 -3.11 0.00 0.00 179.97 177.13 2kz5 h ARG 70 N 0.62 0.06 0.41 0.20 2.43 -0.49 -2.91 114.38 114.69 2kz5 h ARG 70 Ca 0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 2kz5 h ARG 70 Cb 0.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2kz5 h ARG 70 CO -0.21 0.61 -0.24 0.00 -1.51 0.00 0.00 179.97 178.62 2kz5 h ARG 71 N -0.49 -0.59 -0.71 0.20 3.08 -1.25 0.80 114.38 115.42 2kz5 h ARG 71 Ca 0.00 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 2kz5 h ARG 71 Cb 0.60 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2kz5 h ARG 71 CO 0.01 -0.40 0.47 0.78 -1.07 0.00 0.00 179.97 179.76 2kz5 h GLY 72 N -0.62 0.80 0.94 0.04 0.00 -1.57 -1.83 103.07 100.83 2kz5 h GLY 72 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2kz5 h GLY 72 CO 0.05 0.13 -1.16 1.17 0.00 0.00 0.00 176.54 176.72 2kz5 n LYS 73 N -4.49 0.61 -0.18 4.80 4.81 -1.05 -4.09 118.16 118.58 2kz5 n LYS 73 Ca 0.12 0.13 0.02 0.00 -0.87 0.00 0.00 58.31 57.71 2kz5 n LYS 73 Cb 0.38 -1.81 0.28 0.00 0.02 0.00 0.00 35.03 33.91 2kz5 n LYS 73 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2kz5 h ASN 74 N 0.00 0.78 -0.31 3.14 -0.73 0.15 0.38 115.58 119.00 2kz5 h ASN 74 Ca -0.04 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.12 2kz5 h ASN 74 Cb 1.15 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.53 2kz5 h ASN 74 CO 0.01 0.56 0.18 0.50 -0.37 0.00 0.00 177.43 178.31 2kz5 h LYS 75 N 0.92 0.36 -0.44 6.67 1.63 -1.69 0.17 116.57 124.19 2kz5 h LYS 75 Ca 0.26 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.96 2kz5 h LYS 75 Cb -0.09 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2kz5 h LYS 75 CO -0.06 0.24 -0.01 0.28 -3.45 0.00 0.00 179.45 176.45 2kz5 h VAL 76 N 0.37 1.26 -0.71 2.00 2.07 -1.56 -2.95 116.25 116.73 2kz5 h VAL 76 Ca 0.12 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2kz5 h VAL 76 Cb -0.00 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kz5 h VAL 76 CO -0.06 0.36 0.31 0.00 0.02 0.00 0.00 177.57 178.20 2kz5 h ALA 77 N 0.90 0.92 0.43 1.67 0.00 -0.72 -3.11 119.26 119.35 2kz5 h ALA 77 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kz5 h ALA 77 Cb 0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kz5 h ALA 77 CO 0.02 0.52 -0.25 0.00 0.00 0.00 0.00 179.25 179.55 2kz5 h ALA 78 N 1.15 -0.64 -0.03 0.00 0.00 -0.58 0.19 119.26 119.34 2kz5 h ALA 78 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kz5 h ALA 78 Cb 0.18 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kz5 h ALA 78 CO -0.02 -0.87 0.03 -0.56 0.00 0.00 0.00 179.25 177.83 2kz5 h GLN 79 N -0.64 0.00 -0.09 0.00 3.07 -1.55 -1.18 115.11 114.71 2kz5 h GLN 79 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2kz5 h GLN 79 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2kz5 h GLN 79 CO 0.06 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.07 2kz5 n ASN 80 N -3.96 2.73 -4.73 0.06 3.02 -1.06 -4.99 115.26 106.32 2kz5 n ASN 80 Ca -0.02 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 2kz5 n ASN 80 Cb 0.12 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kz5 s TYR 81 N -1.54 3.34 -0.21 3.10 5.04 0.64 -5.03 117.35 122.69 2kz5 s TYR 81 Ca 0.25 1.29 -0.27 0.00 -2.44 0.00 0.00 57.07 55.90 2kz5 s TYR 81 Cb 0.17 -3.52 0.09 0.00 0.35 0.00 0.00 41.96 39.04 2kz5 s TYR 81 CO 0.25 -1.58 0.80 1.03 -1.34 0.00 0.00 175.55 174.71 2kz5 s ARG 82 N 0.06 0.79 -0.83 4.97 1.81 -1.26 -5.02 118.95 119.47 2kz5 s ARG 82 Ca 0.56 0.66 -0.25 0.00 -1.72 0.00 0.00 55.73 54.98 2kz5 s ARG 82 Cb -0.34 0.38 0.02 0.00 -0.45 0.00 0.00 34.95 34.57 2kz5 s ARG 82 CO 0.36 -0.15 1.46 0.15 -0.68 0.00 0.00 175.30 176.43 2kz5 s LYS 83 N -0.15 3.21 -1.37 3.54 3.01 -1.26 -4.89 119.74 121.83 2kz5 s LYS 83 Ca -0.02 -0.44 -0.09 0.00 -1.01 0.00 0.00 55.97 54.41 2kz5 s LYS 83 Cb -0.03 -4.67 -0.11 0.00 -1.01 0.00 0.00 37.83 32.01 2kz5 s LYS 83 CO 0.02 -2.33 3.04 0.54 0.51 0.00 0.00 175.35 177.12 2kz5 n ARG 84 N 9.15 3.49 -3.78 1.68 3.00 -1.26 -4.55 116.66 124.39 2kz5 n ARG 84 Ca 0.18 -2.08 -0.27 0.00 -0.01 0.00 0.00 57.85 55.67 2kz5 n ARG 84 Cb 0.50 -2.67 0.05 0.00 0.00 0.00 0.00 32.46 30.34 2kz5 n ARG 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kz5 n LYS 85 N 3.33 -6.62 -1.68 5.56 5.02 -1.26 -4.89 118.16 117.63 2kz5 n LYS 85 Ca 0.73 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 57.32 2kz5 n LYS 85 Cb 0.33 -5.67 -0.03 0.00 -0.02 0.00 0.00 35.03 29.64 2kz5 n LYS 85 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kz5 n LEU 86 N -4.83 4.81 -4.87 -0.35 4.32 -1.26 -4.95 117.00 109.87 2kz5 n LEU 86 Ca 0.03 -3.44 -0.31 0.00 -0.02 0.00 0.00 56.01 52.27 2kz5 n LEU 86 Cb 0.54 -1.47 -0.04 0.00 -1.62 0.00 0.00 43.42 40.84 2kz5 n LEU 86 CO 0.71 -0.13 0.46 -1.61 -1.22 0.00 0.00 177.39 175.59 2kz5 s GLU 87 N 4.64 3.82 -0.87 3.23 2.02 -1.26 -4.99 118.70 125.29 2kz5 s GLU 87 Ca 0.56 0.53 -0.25 0.00 0.02 0.00 0.00 54.97 55.83 2kz5 s GLU 87 Cb 0.10 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 2kz5 s GLU 87 CO 0.06 -0.03 1.70 0.95 0.02 0.00 0.00 175.26 177.96 2kz5 s THR 88 N -2.34 3.61 -0.12 3.63 -4.23 -1.26 -4.72 115.64 110.22 2kz5 s THR 88 Ca 0.52 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 2kz5 s THR 88 Cb -0.10 -4.44 -0.26 0.00 1.34 0.00 0.00 72.50 69.04 2kz5 s THR 88 CO 0.29 -1.36 0.39 0.40 -0.54 0.00 0.00 174.62 173.80 2kz5 h ILE 89 N 6.91 0.72 -0.98 2.99 1.08 -1.99 -3.41 117.51 122.82 2kz5 h ILE 89 Ca 0.03 -2.34 -0.55 0.00 -0.39 0.00 0.00 64.86 61.61 2kz5 h ILE 89 Cb 1.04 2.51 -0.09 0.00 -3.07 0.00 0.00 36.82 37.21 2kz5 h ILE 89 CO 1.29 0.81 1.44 -0.69 -0.69 0.00 0.00 178.15 180.31 2kz5 s VAL 90 N -2.53 3.85 -2.00 1.67 1.01 -1.26 -5.35 120.40 115.79 2kz5 s VAL 90 Ca -0.22 -0.85 0.28 0.00 0.00 0.00 0.00 61.98 61.18 2kz5 s VAL 90 Cb 0.06 -4.87 0.79 0.00 0.00 0.00 0.00 36.38 32.36 2kz5 s VAL 90 CO 0.75 -1.74 2.00 0.00 0.00 0.00 0.00 175.10 176.11