#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z09 h ALA 2 N 0.00 0.79 -0.26 -5.12 0.00 -2.02 -2.38 119.26 110.27 1z09 h ALA 2 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1z09 h ALA 2 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1z09 h ALA 2 CO 0.00 0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.63 1z09 h GLU 3 N 0.88 0.41 -0.83 0.00 4.39 -2.05 -2.36 114.58 115.02 1z09 h GLU 3 Ca 0.18 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1z09 h GLU 3 Cb 0.40 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1z09 h GLU 3 CO 0.01 0.51 0.46 0.28 -1.16 0.00 0.00 179.01 179.11 1z09 h VAL 4 N 0.39 1.24 -0.33 3.13 2.07 -1.86 -1.84 116.25 119.06 1z09 h VAL 4 Ca 0.08 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1z09 h VAL 4 Cb 0.39 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1z09 h VAL 4 CO 0.02 0.27 -0.03 -0.33 0.02 0.00 0.00 177.57 177.52 1z09 h GLU 5 N 1.16 0.52 -0.82 1.57 4.39 -1.10 -2.10 114.58 118.18 1z09 h GLU 5 Ca 0.29 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1z09 h GLU 5 Cb 0.02 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1z09 h GLU 5 CO -0.05 0.57 0.37 1.49 -1.16 0.00 0.00 179.01 180.22 1z09 h GLU 6 N 0.49 1.20 -0.87 2.33 4.81 -1.10 -2.16 114.58 119.30 1z09 h GLU 6 Ca 0.10 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1z09 h GLU 6 Cb 0.37 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1z09 h GLU 6 CO 0.01 0.94 0.57 1.15 -0.73 0.00 0.00 179.01 180.95 1z09 h THR 7 N 1.18 1.18 -0.99 0.32 2.02 -0.91 -1.71 112.91 114.01 1z09 h THR 7 Ca 0.28 -0.39 0.14 0.00 0.77 0.00 0.00 66.41 67.22 1z09 h THR 7 Cb 0.16 -0.05 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 1z09 h THR 7 CO -0.03 0.21 0.62 0.25 0.37 0.00 0.00 175.52 176.94 1z09 h LEU 8 N 1.13 0.86 -1.43 2.58 5.85 -1.15 0.32 115.31 123.46 1z09 h LEU 8 Ca 0.33 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.21 1z09 h LEU 8 Cb -0.06 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1z09 h LEU 8 CO -0.09 0.41 0.49 0.50 -0.34 0.00 0.00 178.44 179.41 1z09 h LYS 9 N 0.89 0.62 0.00 1.25 3.64 -1.21 0.95 116.57 122.71 1z09 h LYS 9 Ca 0.52 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1z09 h LYS 9 Cb 0.64 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1z09 h LYS 9 CO -0.29 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1z09 h ARG 10 N 0.64 0.00 -0.00 1.90 2.47 -0.96 0.31 114.38 118.74 1z09 h ARG 10 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1z09 h ARG 10 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1z09 h ARG 10 CO -0.13 0.00 -0.05 1.28 0.56 0.00 0.00 179.97 181.63 1z09 n LEU 11 N -3.04 0.17 -0.30 3.04 4.77 0.33 -3.83 117.00 118.14 1z09 n LEU 11 Ca -0.02 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 1z09 n LEU 11 Cb 0.14 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1z09 n LEU 11 CO 0.22 0.03 1.19 -0.61 -1.33 0.00 0.00 177.39 176.89 1z09 h GLN 12 N 0.18 0.96 -5.70 3.23 4.15 -0.29 -3.48 115.11 114.15 1z09 h GLN 12 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1z09 h GLN 12 Cb 0.33 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1z09 h GLN 12 CO 0.00 0.63 -0.84 0.43 -1.93 0.00 0.00 178.83 177.12 1z09 n SER 13 N -4.60 -5.36 0.13 -0.69 7.64 -1.25 -4.80 113.62 104.69 1z09 n SER 13 Ca 0.11 1.05 0.13 0.00 1.01 0.00 0.00 58.87 61.16 1z09 n SER 13 Cb 0.12 -3.28 0.46 0.00 -1.01 0.00 0.00 64.21 60.51 1z09 n SER 13 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1z09 h GLN 14 N 4.17 0.00 0.00 1.43 3.07 -1.94 -3.35 115.11 118.49 1z09 h GLN 14 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 1z09 h GLN 14 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1z09 h GLN 14 CO 0.02 0.00 0.00 0.36 0.09 0.00 0.00 178.83 179.30 1z09 n LYS 15 N -2.33 0.00 -0.47 0.06 2.85 -1.26 -4.41 118.16 112.59 1z09 n LYS 15 Ca 0.03 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.22 1z09 n LYS 15 Cb 0.32 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.74 1z09 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1z09 n GLY 16 N 0.00 2.94 3.71 2.58 0.00 -1.26 -4.92 105.19 108.24 1z09 n GLY 16 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1z09 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z09 s VAL 17 N -1.05 2.41 -0.03 1.61 1.01 -1.26 -3.38 120.40 119.71 1z09 s VAL 17 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1z09 s VAL 17 Cb 0.14 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 33.16 1z09 s VAL 17 CO 0.02 0.01 0.72 1.56 0.00 0.00 0.00 175.10 177.40 1z09 h GLN 18 N 7.43 0.06 -1.02 2.72 4.20 -1.07 -3.48 115.11 123.96 1z09 h GLN 18 Ca -0.44 -0.10 0.24 0.00 0.06 0.00 0.00 58.65 58.41 1z09 h GLN 18 Cb 1.21 0.04 -0.29 0.00 0.30 0.00 0.00 27.48 28.73 1z09 h GLN 18 CO 0.94 0.71 0.97 0.20 -0.67 0.00 0.00 178.83 180.98 1z09 s GLY 19 N -5.11 0.19 -0.06 3.46 0.00 -0.92 -4.84 107.32 100.04 1z09 s GLY 19 Ca -0.07 3.08 0.05 0.00 0.00 0.00 0.00 44.72 47.79 1z09 s GLY 19 CO 0.82 1.33 -0.24 -0.42 0.00 0.00 0.00 173.10 174.60 1z09 s ILE 20 N -0.75 1.95 -0.20 0.90 1.01 -1.26 -0.93 121.20 121.92 1z09 s ILE 20 Ca 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1z09 s ILE 20 Cb -0.02 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1z09 s ILE 20 CO -0.11 0.54 -0.03 -0.63 0.00 0.00 0.00 174.94 174.71 1z09 s ILE 21 N -0.05 1.14 0.03 2.92 1.01 -1.06 -1.64 121.20 123.56 1z09 s ILE 21 Ca -0.06 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 1z09 s ILE 21 Cb -0.14 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 1z09 s ILE 21 CO 0.04 -0.05 0.49 -0.69 0.00 0.00 0.00 174.94 174.73 1z09 s VAL 22 N 1.59 4.89 0.01 2.92 1.01 0.24 -2.86 120.40 128.20 1z09 s VAL 22 Ca -0.02 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.01 1z09 s VAL 22 Cb -0.17 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1z09 s VAL 22 CO -0.07 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 1z09 s VAL 23 N -1.05 0.55 0.81 2.92 1.01 -1.18 0.00 120.40 123.45 1z09 s VAL 23 Ca 0.26 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1z09 s VAL 23 Cb -0.18 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.81 1z09 s VAL 23 CO 0.16 -0.01 1.15 0.20 0.00 0.00 0.00 175.10 176.60 1z09 s ASN 24 N -0.59 4.19 0.02 3.32 0.01 -1.22 -3.07 114.94 117.60 1z09 s ASN 24 Ca -0.01 0.41 0.02 0.00 -0.71 0.00 0.00 52.86 52.57 1z09 s ASN 24 Cb -0.05 -0.81 0.11 0.00 0.41 0.00 0.00 41.25 40.91 1z09 s ASN 24 CO 0.00 -2.04 1.07 0.35 -1.51 0.00 0.00 177.10 174.98 1z09 n THR 25 N -3.26 1.88 0.14 1.60 -2.24 -1.25 -1.86 114.28 109.27 1z09 n THR 25 Ca 0.11 0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 62.37 1z09 n THR 25 Cb 0.60 -1.48 0.17 0.00 -2.10 0.00 0.00 70.33 67.52 1z09 n THR 25 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1z09 h GLU 26 N 0.00 0.00 -0.13 -0.78 5.08 -1.94 -3.47 114.58 113.34 1z09 h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z09 h GLU 26 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1z09 h GLU 26 CO 0.00 0.62 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1z09 n GLY 27 N 0.30 1.21 2.94 -3.84 0.00 -0.78 -5.08 105.19 99.94 1z09 n GLY 27 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1z09 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1z09 s ILE 28 N -2.13 -0.53 0.30 -0.61 1.01 -1.26 -5.02 121.20 112.96 1z09 s ILE 28 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1z09 s ILE 28 Cb 0.00 -0.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 1z09 s ILE 28 CO 0.00 -0.08 1.56 -2.16 0.00 0.00 0.00 174.94 174.27 1z09 s PRO 29 N 2.49 4.13 0.00 2.79 0.04 -1.26 -3.45 135.00 139.74 1z09 s PRO 29 Ca 0.08 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1z09 s PRO 29 Cb -0.15 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1z09 s PRO 29 CO -0.14 -0.60 0.00 0.44 0.04 0.00 0.00 177.00 176.75 1z09 n ILE 30 N 1.88 0.00 -1.65 0.56 -5.35 0.10 -4.94 119.36 109.97 1z09 n ILE 30 Ca 0.07 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.18 1z09 n ILE 30 Cb 0.38 -0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.33 1z09 n ILE 30 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1z09 n LYS 31 N 0.00 0.97 -3.62 6.28 4.81 -1.22 -4.72 118.16 120.65 1z09 n LYS 31 Ca 0.00 0.39 -0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1z09 n LYS 31 Cb 0.00 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 32.57 1z09 n LYS 31 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1z09 s SER 32 N -1.41 -0.21 0.00 3.14 0.15 -1.26 0.81 113.70 114.92 1z09 s SER 32 Ca 0.80 0.31 0.18 0.00 0.70 0.00 0.00 55.95 57.95 1z09 s SER 32 Cb -0.38 0.29 0.52 0.00 -1.71 0.00 0.00 66.02 64.73 1z09 s SER 32 CO 0.43 -0.14 1.42 0.35 1.20 0.00 0.00 173.24 176.49 1z09 n THR 33 N 1.16 0.50 -2.79 6.45 -2.24 -0.65 -4.92 114.28 111.78 1z09 n THR 33 Ca -0.08 -0.57 -0.26 0.00 -2.27 0.00 0.00 64.05 60.87 1z09 n THR 33 Cb 0.58 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1z09 n THR 33 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1z09 s MET 34 N -1.50 3.28 0.09 -0.78 -1.94 -1.26 -4.76 119.30 112.43 1z09 s MET 34 Ca 0.33 -0.10 -0.26 0.00 -1.71 0.00 0.00 55.69 53.95 1z09 s MET 34 Cb 0.18 -2.45 -0.13 0.00 2.01 0.00 0.00 34.83 34.44 1z09 s MET 34 CO 0.25 -0.27 1.68 0.38 -0.01 0.00 0.00 175.02 177.05 1z09 h ASP 35 N 0.27 -0.40 0.00 3.03 2.03 -1.95 -3.47 116.42 115.93 1z09 h ASP 35 Ca -0.47 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1z09 h ASP 35 Cb 1.23 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1z09 h ASP 35 CO 0.60 -0.24 0.00 0.59 -1.03 0.00 0.00 179.24 179.16 1z09 n ASN 36 N -5.28 0.00 -0.12 4.15 5.03 -1.26 -4.97 115.26 112.81 1z09 n ASN 36 Ca -0.08 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.34 1z09 n ASN 36 Cb 0.19 0.00 0.20 0.00 -1.02 0.00 0.00 39.78 39.15 1z09 n ASN 36 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1z09 h PRO 37 N 0.00 0.81 -0.54 3.52 0.13 -2.01 -1.92 132.00 131.99 1z09 h PRO 37 Ca 0.00 -0.16 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 1z09 h PRO 37 Cb 0.00 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 30.98 1z09 h PRO 37 CO 0.00 0.73 0.08 1.15 -0.23 0.00 0.00 178.00 179.73 1z09 h THR 38 N 0.78 1.24 0.18 1.56 2.02 -1.95 -2.50 112.91 114.25 1z09 h THR 38 Ca 0.17 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.44 1z09 h THR 38 Cb 0.29 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1z09 h THR 38 CO -0.00 0.34 -0.34 0.74 0.37 0.00 0.00 175.52 176.63 1z09 h THR 39 N 0.82 0.29 0.16 3.16 2.02 -1.70 -2.61 112.91 115.05 1z09 h THR 39 Ca 0.17 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 67.05 1z09 h THR 39 Cb 0.38 0.29 0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1z09 h THR 39 CO 0.01 0.00 -1.28 0.74 0.37 0.00 0.00 175.52 175.35 1z09 h THR 40 N -0.61 1.29 -0.89 3.16 2.02 -1.55 -0.48 112.91 115.86 1z09 h THR 40 Ca 0.01 -2.52 0.09 0.00 0.77 0.00 0.00 66.41 64.76 1z09 h THR 40 Cb 0.61 2.82 -0.06 0.00 -1.74 0.00 0.00 68.15 69.77 1z09 h THR 40 CO -0.16 0.76 0.57 0.06 0.37 0.00 0.00 175.52 177.13 1z09 h GLN 41 N 0.20 0.88 0.04 6.66 3.07 -1.48 -1.16 115.11 123.32 1z09 h GLN 41 Ca -0.21 -0.05 -0.22 0.00 0.09 0.00 0.00 58.65 58.26 1z09 h GLN 41 Cb 1.97 -0.20 -0.02 0.00 0.08 0.00 0.00 27.48 29.31 1z09 h GLN 41 CO 0.24 0.58 -1.18 -0.92 0.09 0.00 0.00 178.83 177.65 1z09 h TYR 42 N 0.91 0.16 0.07 0.06 5.03 -1.55 -3.27 116.97 118.37 1z09 h TYR 42 Ca 0.41 -0.11 0.02 0.00 2.58 0.00 0.00 58.73 61.62 1z09 h TYR 42 Cb 0.37 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.59 1z09 h TYR 42 CO -0.00 1.46 -0.44 0.00 -1.32 0.00 0.00 178.16 177.86 1z09 h ALA 43 N -0.26 -0.77 -0.75 1.82 0.00 -0.90 -1.40 119.26 117.00 1z09 h ALA 43 Ca -0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1z09 h ALA 43 Cb 1.44 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 1z09 h ALA 43 CO -0.08 -1.01 0.39 0.77 0.00 0.00 0.00 179.25 179.32 1z09 h SER 44 N -0.64 0.95 0.21 0.00 0.02 -1.42 -0.78 113.55 111.89 1z09 h SER 44 Ca 0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1z09 h SER 44 Cb 0.69 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1z09 h SER 44 CO -0.29 0.78 -0.10 0.25 -1.14 0.00 0.00 176.83 176.33 1z09 h LEU 45 N 1.06 -0.24 -1.06 5.07 6.46 -1.48 -2.89 115.31 122.22 1z09 h LEU 45 Ca 0.26 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1z09 h LEU 45 Cb 0.06 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1z09 h LEU 45 CO -0.04 -0.15 -0.41 0.24 -0.62 0.00 0.00 178.44 177.46 1z09 h MET 46 N -0.32 0.11 -0.26 1.25 2.86 -1.15 -3.23 114.93 114.20 1z09 h MET 46 Ca -0.03 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1z09 h MET 46 Cb 0.24 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 1z09 h MET 46 CO 0.05 0.51 -0.33 1.25 1.06 0.00 0.00 176.91 179.44 1z09 h HIS 47 N 0.09 -0.92 -0.47 -0.22 -0.00 -0.92 0.12 115.15 112.83 1z09 h HIS 47 Ca 0.01 0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.52 1z09 h HIS 47 Cb 0.78 0.44 -0.08 0.00 -0.00 0.00 0.00 27.41 28.54 1z09 h HIS 47 CO 0.01 -0.40 -0.08 1.03 -0.00 0.00 0.00 177.93 178.49 1z09 h SER 48 N -0.34 -0.36 -0.57 3.26 0.87 -1.57 -2.05 113.55 112.79 1z09 h SER 48 Ca 0.13 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1z09 h SER 48 Cb 0.55 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1z09 h SER 48 CO -0.44 -0.13 0.35 0.15 -0.53 0.00 0.00 176.83 176.23 1z09 h PHE 49 N 0.03 0.65 -0.00 2.24 3.04 -1.11 -1.64 116.94 120.15 1z09 h PHE 49 Ca 0.23 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.21 1z09 h PHE 49 Cb 0.35 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 1z09 h PHE 49 CO -0.37 0.37 -0.07 0.82 -2.02 0.00 0.00 178.31 177.04 1z09 h ILE 50 N 0.69 0.81 -0.84 1.41 2.04 -0.16 -1.23 117.51 120.22 1z09 h ILE 50 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1z09 h ILE 50 Cb 0.02 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1z09 h ILE 50 CO -0.10 0.00 0.55 0.25 0.00 0.00 0.00 178.15 178.85 1z09 h LEU 51 N -0.13 0.74 -0.31 1.44 7.12 -1.21 -1.74 115.31 121.23 1z09 h LEU 51 Ca 0.03 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1z09 h LEU 51 Cb 0.16 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 1z09 h LEU 51 CO -0.08 0.44 0.16 0.11 -0.13 0.00 0.00 178.44 178.95 1z09 h LYS 52 N 0.82 0.44 -0.09 1.25 1.57 -0.28 -1.52 116.57 118.77 1z09 h LYS 52 Ca 0.39 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1z09 h LYS 52 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1z09 h LYS 52 CO -0.16 0.40 -0.02 0.00 -0.57 0.00 0.00 179.45 179.10 1z09 h ALA 53 N 1.02 0.05 -0.84 3.86 0.00 -0.48 0.33 119.26 123.20 1z09 h ALA 53 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1z09 h ALA 53 Cb 0.10 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1z09 h ALA 53 CO -0.01 -0.49 0.47 0.00 0.00 0.00 0.00 179.25 179.21 1z09 h ARG 54 N -0.00 0.71 0.07 0.00 3.08 -1.16 0.79 114.38 117.86 1z09 h ARG 54 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1z09 h ARG 54 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1z09 h ARG 54 CO -0.09 0.47 -0.03 1.03 -1.07 0.00 0.00 179.97 180.27 1z09 h SER 55 N 0.73 -0.08 0.39 7.04 0.87 -0.26 -1.37 113.55 120.88 1z09 h SER 55 Ca 0.43 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1z09 h SER 55 Cb 0.50 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1z09 h SER 55 CO -0.30 -0.01 -0.27 0.74 -0.53 0.00 0.00 176.83 176.46 1z09 h THR 56 N -0.14 0.43 -0.45 2.23 2.02 0.20 0.27 112.91 117.47 1z09 h THR 56 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1z09 h THR 56 Cb 0.11 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1z09 h THR 56 CO 0.02 0.00 0.26 -0.37 0.37 0.00 0.00 175.52 175.80 1z09 h VAL 57 N -0.65 1.03 -0.04 3.16 -1.51 0.50 -2.56 116.25 116.18 1z09 h VAL 57 Ca -0.04 -0.18 -0.14 0.00 -1.23 0.00 0.00 66.70 65.11 1z09 h VAL 57 Cb 0.55 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1z09 h VAL 57 CO 0.02 0.10 -0.61 -0.09 -1.23 0.00 0.00 177.57 175.75 1z09 h ARG 58 N 0.53 0.14 -1.01 5.19 2.43 -1.17 -2.84 114.38 117.65 1z09 h ARG 58 Ca 0.18 -0.10 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 1z09 h ARG 58 Cb 0.03 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1z09 h ARG 58 CO -0.09 0.71 0.63 0.22 -1.51 0.00 0.00 179.97 179.92 1z09 h ASP 59 N 0.10 0.89 0.00 -3.80 3.58 -0.02 -3.18 116.42 113.99 1z09 h ASP 59 Ca -0.01 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1z09 h ASP 59 Cb 1.10 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1z09 h ASP 59 CO 0.09 0.43 0.00 -0.38 -2.88 0.00 0.00 179.24 176.50 1z09 n ILE 60 N -4.66 0.00 -2.98 2.25 5.41 -1.15 -4.77 119.36 113.45 1z09 n ILE 60 Ca 0.20 0.64 -0.41 0.00 1.00 0.00 0.00 62.75 64.19 1z09 n ILE 60 Cb 0.42 -1.54 -0.05 0.00 -0.71 0.00 0.00 39.64 37.76 1z09 n ILE 60 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1z09 s ASP 61 N -2.58 6.88 0.00 4.38 1.11 -1.08 -4.92 116.67 120.46 1z09 s ASP 61 Ca 0.00 1.08 0.23 0.00 0.18 0.00 0.00 52.55 54.04 1z09 s ASP 61 Cb 0.00 -2.42 1.24 0.00 1.07 0.00 0.00 42.92 42.81 1z09 s ASP 61 CO 0.00 -0.31 1.76 -0.81 1.18 0.00 0.00 175.17 176.99 1z09 n PRO 62 N 4.90 0.47 -0.30 8.23 -0.04 -1.26 -3.30 135.00 143.70 1z09 n PRO 62 Ca 0.02 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1z09 n PRO 62 Cb 0.50 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 1z09 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z09 n GLN 63 N -1.19 0.58 -3.88 0.54 10.64 -1.26 -5.09 117.38 117.73 1z09 n GLN 63 Ca 0.13 -1.66 -0.25 0.00 -1.83 0.00 0.00 57.00 53.40 1z09 n GLN 63 Cb 0.15 -0.92 -0.03 0.00 -0.86 0.00 0.00 30.24 28.58 1z09 n GLN 63 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1z09 s ASN 64 N -1.76 4.67 -0.26 2.61 0.02 -1.21 -5.14 114.94 113.87 1z09 s ASN 64 Ca 0.13 -1.12 -0.26 0.00 -1.02 0.00 0.00 52.86 50.60 1z09 s ASN 64 Cb 0.12 0.04 0.10 0.00 0.02 0.00 0.00 41.25 41.52 1z09 s ASN 64 CO 0.01 -0.90 0.88 -0.62 0.02 0.00 0.00 177.10 176.50 1z09 s ASP 65 N -4.17 -0.58 -0.10 -1.22 2.15 -1.26 -4.68 116.67 106.81 1z09 s ASP 65 Ca 0.38 1.07 -0.29 0.00 0.43 0.00 0.00 52.55 54.13 1z09 s ASP 65 Cb -0.01 1.06 -0.07 0.00 -0.30 0.00 0.00 42.92 43.60 1z09 s ASP 65 CO 0.22 -0.23 2.11 -0.11 -0.17 0.00 0.00 175.17 177.00 1z09 n LEU 66 N 2.24 3.69 -0.00 -1.34 7.94 -1.26 -4.82 117.00 123.45 1z09 n LEU 66 Ca -0.13 0.53 0.02 0.00 -1.11 0.00 0.00 56.01 55.32 1z09 n LEU 66 Cb 0.56 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 42.85 1z09 n LEU 66 CO 0.05 -0.27 -0.60 0.41 -1.11 0.00 0.00 177.39 175.87 1z09 n THR 67 N 6.73 0.81 -3.60 1.96 -1.04 -1.26 -4.86 114.28 113.03 1z09 n THR 67 Ca 0.25 -0.66 -0.05 0.00 -2.04 0.00 0.00 64.05 61.55 1z09 n THR 67 Cb 0.43 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 1z09 n THR 67 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1z09 s PHE 68 N -3.05 -0.17 0.13 -1.42 5.36 -1.26 -4.79 117.98 112.78 1z09 s PHE 68 Ca -0.06 0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 1z09 s PHE 68 Cb 0.10 0.50 0.01 0.00 -0.34 0.00 0.00 43.02 43.28 1z09 s PHE 68 CO 0.84 -0.22 0.29 -1.17 -1.46 0.00 0.00 175.22 173.51 1z09 s LEU 69 N -1.79 0.96 -0.29 6.12 0.20 -1.26 -5.05 118.68 117.58 1z09 s LEU 69 Ca 0.07 -0.65 0.02 0.00 0.69 0.00 0.00 54.13 54.26 1z09 s LEU 69 Cb -0.01 1.33 0.18 0.00 -0.43 0.00 0.00 46.19 47.27 1z09 s LEU 69 CO -0.05 -0.84 0.54 -0.60 -0.29 0.00 0.00 176.35 175.12 1z09 s ARG 70 N -3.89 0.52 0.35 1.98 3.52 -1.26 -3.58 118.95 116.59 1z09 s ARG 70 Ca 0.09 0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1z09 s ARG 70 Cb 0.03 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.58 1z09 s ARG 70 CO -0.07 -0.85 0.58 0.42 -0.81 0.00 0.00 175.30 174.57 1z09 s ILE 71 N 2.77 5.07 -0.30 4.11 1.01 0.32 -4.96 121.20 129.21 1z09 s ILE 71 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1z09 s ILE 71 Cb -0.13 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.63 1z09 s ILE 71 CO -0.24 -0.56 0.24 -0.60 0.00 0.00 0.00 174.94 173.79 1z09 s ARG 72 N -4.24 0.32 -0.41 2.79 3.52 -1.26 -1.40 118.95 118.27 1z09 s ARG 72 Ca 0.42 -0.41 -0.20 0.00 -0.13 0.00 0.00 55.73 55.40 1z09 s ARG 72 Cb -0.10 -0.87 0.02 0.00 -1.56 0.00 0.00 34.95 32.44 1z09 s ARG 72 CO 0.36 -1.05 0.62 0.45 -0.81 0.00 0.00 175.30 174.87 1z09 s SER 73 N 2.11 6.34 0.00 -2.12 0.15 -0.31 -4.94 113.70 114.94 1z09 s SER 73 Ca 0.10 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1z09 s SER 73 Cb -0.15 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1z09 s SER 73 CO -0.29 -0.69 0.00 1.17 1.20 0.00 0.00 173.24 174.62 1z09 n LYS 74 N 6.13 0.00 -0.27 5.44 0.00 -1.26 0.24 118.16 128.44 1z09 n LYS 74 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.32 1z09 n LYS 74 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.66 1z09 n LYS 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1z09 n LYS 75 N 0.00 2.19 -3.38 1.64 5.02 -1.26 -4.94 118.16 117.43 1z09 n LYS 75 Ca 0.00 -1.15 0.02 0.00 -2.02 0.00 0.00 58.31 55.16 1z09 n LYS 75 Cb 0.00 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.44 1z09 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1z09 n ASN 76 N 0.28 -0.84 -3.61 4.39 2.85 0.66 -5.12 115.26 113.87 1z09 n ASN 76 Ca 0.10 -1.16 -0.04 0.00 -0.11 0.00 0.00 54.58 53.38 1z09 n ASN 76 Cb 0.47 1.29 -0.06 0.00 1.24 0.00 0.00 39.78 42.73 1z09 n ASN 76 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1z09 s GLU 77 N -2.01 0.47 0.12 1.20 -1.05 -1.26 -1.16 118.70 115.02 1z09 s GLU 77 Ca 0.22 1.24 -0.04 0.00 -0.15 0.00 0.00 54.97 56.24 1z09 s GLU 77 Cb -0.00 0.61 -0.05 0.00 -0.44 0.00 0.00 34.13 34.24 1z09 s GLU 77 CO -0.01 -0.26 0.34 0.42 0.95 0.00 0.00 175.26 176.70 1z09 s ILE 78 N 2.78 5.22 -0.16 1.83 1.01 -0.50 -4.45 121.20 126.93 1z09 s ILE 78 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1z09 s ILE 78 Cb -0.12 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.80 1z09 s ILE 78 CO -0.17 0.06 0.29 -0.32 0.00 0.00 0.00 174.94 174.81 1z09 s MET 79 N -2.63 0.20 -0.18 2.79 1.75 -1.26 0.12 119.30 120.09 1z09 s MET 79 Ca 0.40 0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 55.55 1z09 s MET 79 Cb -0.12 -0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.44 1z09 s MET 79 CO 0.25 -0.35 -0.06 0.08 -0.65 0.00 0.00 175.02 174.29 1z09 s VAL 80 N 2.45 1.21 -0.49 10.11 1.01 -1.23 -2.25 120.40 131.20 1z09 s VAL 80 Ca 0.02 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1z09 s VAL 80 Cb -0.13 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1z09 s VAL 80 CO -0.10 0.12 0.80 0.00 0.00 0.00 0.00 175.10 175.92 1z09 s ALA 81 N 1.58 3.26 0.36 5.51 0.00 -1.22 -4.08 121.76 127.18 1z09 s ALA 81 Ca -0.00 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1z09 s ALA 81 Cb -0.16 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1z09 s ALA 81 CO -0.08 -2.09 0.52 -1.25 0.00 0.00 0.00 175.76 172.86 1z09 s PRO 82 N 3.38 3.11 -0.17 0.00 0.04 -1.26 -3.41 135.00 136.69 1z09 s PRO 82 Ca 0.27 -0.87 -0.02 0.00 0.04 0.00 0.00 61.00 60.42 1z09 s PRO 82 Cb -0.14 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1z09 s PRO 82 CO 0.20 -0.01 0.09 -3.47 0.04 0.00 0.00 177.00 173.84 1z09 n ASP 83 N -1.74 -5.01 0.00 6.66 -0.08 -1.22 -4.87 116.55 110.28 1z09 n ASP 83 Ca -0.00 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1z09 n ASP 83 Cb 0.58 -3.19 0.00 0.00 2.34 0.00 0.00 41.12 40.85 1z09 n ASP 83 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1z09 n LYS 84 N 0.13 0.00 0.00 -0.67 3.00 -1.26 -4.89 118.16 114.47 1z09 n LYS 84 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1z09 n LYS 84 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1z09 n LYS 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1z09 n ASP 85 N 0.00 0.00 -3.70 3.14 8.00 -1.26 -4.83 116.55 117.89 1z09 n ASP 85 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1z09 n ASP 85 Cb 0.00 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1z09 n ASP 85 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1z09 s TYR 86 N -1.37 -0.24 -0.19 1.24 2.02 -1.26 -3.88 117.35 113.66 1z09 s TYR 86 Ca 0.00 -0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 1z09 s TYR 86 Cb 0.00 0.55 0.06 0.00 -0.40 0.00 0.00 41.96 42.17 1z09 s TYR 86 CO 0.00 -1.02 0.46 -0.59 -1.57 0.00 0.00 175.55 172.83 1z09 s PHE 87 N -3.86 -0.68 0.03 2.71 -0.71 -1.17 -3.40 117.98 110.89 1z09 s PHE 87 Ca 0.08 1.44 -0.03 0.00 -1.04 0.00 0.00 56.93 57.38 1z09 s PHE 87 Cb -0.03 0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 1z09 s PHE 87 CO -0.02 -0.37 0.03 -0.48 -1.34 0.00 0.00 175.22 173.04 1z09 s LEU 88 N 1.41 2.08 -0.27 -1.99 2.34 -1.22 -3.13 118.68 117.90 1z09 s LEU 88 Ca -0.09 -0.60 -0.15 0.00 0.06 0.00 0.00 54.13 53.34 1z09 s LEU 88 Cb -0.08 0.35 -0.04 0.00 -0.56 0.00 0.00 46.19 45.87 1z09 s LEU 88 CO -0.14 -0.45 0.39 -0.63 -1.06 0.00 0.00 176.35 174.46 1z09 s ILE 89 N -2.44 5.16 -0.52 1.48 1.01 -1.13 -3.37 121.20 121.39 1z09 s ILE 89 Ca -0.07 0.61 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 1z09 s ILE 89 Cb -0.03 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.85 1z09 s ILE 89 CO -0.04 0.15 0.46 -0.69 0.00 0.00 0.00 174.94 174.83 1z09 s VAL 90 N 2.07 5.14 -0.30 2.92 1.01 -0.96 -2.55 120.40 127.73 1z09 s VAL 90 Ca 0.16 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.46 1z09 s VAL 90 Cb -0.16 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.98 1z09 s VAL 90 CO 0.10 -0.80 0.91 -0.63 0.00 0.00 0.00 175.10 174.68 1z09 s ILE 91 N 1.59 4.68 0.07 2.22 1.09 -0.11 -4.11 121.20 126.63 1z09 s ILE 91 Ca 0.03 1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 61.03 1z09 s ILE 91 Cb -0.28 -4.26 0.01 0.00 -1.06 0.00 0.00 42.46 36.86 1z09 s ILE 91 CO 0.04 -0.33 0.11 0.00 -0.10 0.00 0.00 174.94 174.66 1z09 n GLN 92 N 6.45 0.16 -3.63 2.79 10.64 -1.26 -0.43 117.38 132.11 1z09 n GLN 92 Ca 0.07 -0.44 -0.04 0.00 -1.83 0.00 0.00 57.00 54.77 1z09 n GLN 92 Cb 0.48 0.48 -0.04 0.00 -0.86 0.00 0.00 30.24 30.30 1z09 n GLN 92 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1z09 s ASN 93 N -1.37 -0.10 -0.10 2.61 2.47 -1.22 -4.42 114.94 112.82 1z09 s ASN 93 Ca 0.04 0.09 0.05 0.00 0.42 0.00 0.00 52.86 53.45 1z09 s ASN 93 Cb -0.01 0.08 0.29 0.00 -1.45 0.00 0.00 41.25 40.17 1z09 s ASN 93 CO 0.03 -0.10 1.00 -0.81 -3.72 0.00 0.00 177.10 173.50 1z09 n PRO 94 N 0.43 2.30 -2.41 0.43 -0.04 -1.26 -4.08 135.00 130.37 1z09 n PRO 94 Ca -0.01 -1.14 -0.19 0.00 -0.04 0.00 0.00 63.50 62.12 1z09 n PRO 94 Cb 0.58 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1z09 n PRO 94 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1z09 n THR 95 N 0.19 -0.89 -1.95 0.52 -1.04 -1.26 -5.07 114.28 104.78 1z09 n THR 95 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1z09 n THR 95 Cb 0.64 -2.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 1z09 n THR 95 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64