#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 0.63 -0.75 3.04 0.00 -2.06 -2.50 119.26 117.62 1z09 h ALA 2 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1z09 h ALA 2 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1z09 h ALA 2 CO 0.00 0.40 0.50 1.05 0.00 0.00 0.00 179.25 181.20 1z09 h GLU 3 N 0.66 0.91 -0.80 0.00 4.11 -2.05 -1.22 114.58 116.20 1z09 h GLU 3 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1z09 h GLU 3 Cb 0.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1z09 h GLU 3 CO 0.02 0.60 0.46 0.28 0.07 0.00 0.00 179.01 180.44 1z09 h VAL 4 N 0.94 1.23 -0.51 -1.06 2.07 -1.89 0.59 116.25 117.63 1z09 h VAL 4 Ca 0.30 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1z09 h VAL 4 Cb 0.02 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1z09 h VAL 4 CO -0.08 0.25 -0.08 -0.33 0.02 0.00 0.00 177.57 177.35 1z09 h GLU 5 N 1.10 0.95 -0.27 1.57 5.08 -0.92 -1.91 114.58 120.18 1z09 h GLU 5 Ca 0.28 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1z09 h GLU 5 Cb -0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1z09 h GLU 5 CO -0.05 1.01 -0.32 1.49 -1.00 0.00 0.00 179.01 180.14 1z09 h GLU 6 N 0.81 0.58 -0.66 2.33 4.81 -0.90 -2.77 114.58 118.78 1z09 h GLU 6 Ca 0.13 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1z09 h GLU 6 Cb 0.63 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1z09 h GLU 6 CO 0.04 0.82 0.42 1.15 -0.73 0.00 0.00 179.01 180.72 1z09 h THR 7 N 0.49 1.12 -0.16 0.32 2.02 0.62 -2.20 112.91 115.12 1z09 h THR 7 Ca 0.06 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1z09 h THR 7 Cb 0.79 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1z09 h THR 7 CO 0.06 0.15 -0.23 -0.07 0.37 0.00 0.00 175.52 175.81 1z09 h LEU 8 N 0.85 -0.72 -1.72 2.58 4.07 -1.06 0.27 115.31 119.57 1z09 h LEU 8 Ca 0.26 0.12 0.08 0.00 0.08 0.00 0.00 57.88 58.42 1z09 h LEU 8 Cb -0.03 0.33 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1z09 h LEU 8 CO -0.08 -0.28 0.34 0.11 -1.08 0.00 0.00 178.44 177.45 1z09 h LYS 9 N -0.28 0.32 0.00 1.13 1.57 -1.42 0.77 116.57 118.66 1z09 h LYS 9 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1z09 h LYS 9 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1z09 h LYS 9 CO -0.32 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 178.78 1z09 h ARG 10 N 0.33 0.00 0.00 3.15 3.08 -0.36 -1.28 114.38 119.30 1z09 h ARG 10 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1z09 h ARG 10 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1z09 h ARG 10 CO -0.05 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 1z09 n LEU 11 N -2.94 0.19 -0.34 3.04 4.77 0.27 -2.95 117.00 119.04 1z09 n LEU 11 Ca -0.00 0.54 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1z09 n LEU 11 Cb 0.21 -0.52 0.37 0.00 -2.33 0.00 0.00 43.42 41.15 1z09 n LEU 11 CO 0.23 -0.32 1.20 -0.61 -1.33 0.00 0.00 177.39 176.56 1z09 h GLN 12 N 0.00 0.65 0.00 3.23 4.15 -1.30 -3.43 115.11 118.41 1z09 h GLN 12 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1z09 h GLN 12 Cb 0.30 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1z09 h GLN 12 CO 0.00 0.43 0.00 0.45 -1.93 0.00 0.00 178.83 177.78 1z09 n SER 13 N -4.73 0.00 -3.15 -0.69 2.88 -1.15 -4.66 113.62 102.12 1z09 n SER 13 Ca 0.23 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.75 1z09 n SER 13 Cb 0.63 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.11 1z09 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1z09 n GLN 14 N 0.00 0.58 -0.32 -1.46 10.64 -1.26 -5.16 117.38 120.40 1z09 n GLN 14 Ca 0.00 -1.34 -0.25 0.00 -1.83 0.00 0.00 57.00 53.57 1z09 n GLN 14 Cb 0.00 1.83 0.24 0.00 -0.86 0.00 0.00 30.24 31.45 1z09 n GLN 14 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1z09 n LYS 15 N -0.68 -4.01 0.00 2.61 5.02 -1.26 -3.87 118.16 115.96 1z09 n LYS 15 Ca -0.02 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1z09 n LYS 15 Cb 0.54 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1z09 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1z09 n GLY 16 N 2.09 2.86 3.72 0.72 0.00 -1.26 -4.96 105.19 108.36 1z09 n GLY 16 Ca 0.11 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1z09 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1z09 n VAL 17 N 0.00 0.12 -0.00 1.61 0.31 -1.25 -3.19 118.33 115.93 1z09 n VAL 17 Ca 0.00 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1z09 n VAL 17 Cb 0.00 -1.99 -0.14 0.00 -0.91 0.00 0.00 33.84 30.80 1z09 n VAL 17 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1z09 h GLN 18 N 6.55 0.07 -1.34 5.55 4.20 -1.43 -3.48 115.11 125.23 1z09 h GLN 18 Ca -0.44 -0.12 0.15 0.00 0.06 0.00 0.00 58.65 58.31 1z09 h GLN 18 Cb 1.20 0.04 -0.25 0.00 0.30 0.00 0.00 27.48 28.77 1z09 h GLN 18 CO 0.94 0.71 0.72 0.20 -0.67 0.00 0.00 178.83 180.73 1z09 s GLY 19 N -5.15 -0.10 -0.08 3.46 0.00 -1.01 -4.82 107.32 99.62 1z09 s GLY 19 Ca -0.08 2.42 0.02 0.00 0.00 0.00 0.00 44.72 47.09 1z09 s GLY 19 CO 0.82 1.11 -0.14 -0.42 0.00 0.00 0.00 173.10 174.46 1z09 s ILE 20 N -1.00 1.36 -0.22 0.90 1.01 -1.26 -0.49 121.20 121.50 1z09 s ILE 20 Ca 0.03 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1z09 s ILE 20 Cb -0.01 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.28 1z09 s ILE 20 CO -0.03 0.41 -0.07 -0.63 0.00 0.00 0.00 174.94 174.61 1z09 s ILE 21 N 0.74 1.55 -0.01 2.92 1.01 -0.74 -2.09 121.20 124.59 1z09 s ILE 21 Ca -0.12 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.26 1z09 s ILE 21 Cb -0.16 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 1z09 s ILE 21 CO 0.03 0.02 0.44 -0.69 0.00 0.00 0.00 174.94 174.74 1z09 s VAL 22 N 1.41 5.02 0.01 2.92 1.01 0.43 -1.70 120.40 129.50 1z09 s VAL 22 Ca -0.04 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1z09 s VAL 22 Cb -0.18 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1z09 s VAL 22 CO -0.07 0.53 -0.11 0.54 0.00 0.00 0.00 175.10 175.99 1z09 s VAL 23 N -0.80 0.88 0.86 2.92 0.11 0.42 -1.12 120.40 123.67 1z09 s VAL 23 Ca 0.25 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.54 1z09 s VAL 23 Cb -0.17 -0.77 0.16 0.00 -1.53 0.00 0.00 36.38 34.07 1z09 s VAL 23 CO 0.13 0.12 1.19 0.54 -3.33 0.00 0.00 175.10 173.75 1z09 s ASN 24 N -0.61 3.71 0.00 3.54 4.22 -1.26 -1.17 114.94 123.38 1z09 s ASN 24 Ca 0.02 0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.87 1z09 s ASN 24 Cb -0.06 -0.35 0.00 0.00 1.28 0.00 0.00 41.25 42.13 1z09 s ASN 24 CO 0.00 -2.32 0.85 1.07 -2.04 0.00 0.00 177.10 174.65 1z09 n THR 25 N -3.39 1.39 0.08 0.54 5.66 -1.24 -2.09 114.28 115.24 1z09 n THR 25 Ca 0.14 0.35 -0.08 0.00 -3.05 0.00 0.00 64.05 61.42 1z09 n THR 25 Cb 0.60 -1.35 0.03 0.00 -1.55 0.00 0.00 70.33 68.05 1z09 n THR 25 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1z09 h GLU 26 N 0.00 0.21 0.00 1.09 4.39 -1.92 -3.47 114.58 114.88 1z09 h GLU 26 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1z09 h GLU 26 Cb 0.01 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1z09 h GLU 26 CO 0.00 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.16 1z09 n GLY 27 N 0.71 3.19 3.60 -3.84 0.00 -0.89 -5.01 105.19 102.95 1z09 n GLY 27 Ca -0.03 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.13 3.51 0.02 -0.61 -1.09 -1.26 -4.78 121.20 116.85 1z09 s ILE 28 Ca 0.00 0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 1z09 s ILE 28 Cb 0.00 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1z09 s ILE 28 CO 0.00 -0.45 1.89 -2.16 -1.23 0.00 0.00 174.94 172.99 1z09 s PRO 29 N 5.63 4.15 0.00 2.79 0.04 -1.26 -4.02 135.00 142.34 1z09 s PRO 29 Ca 0.78 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.33 1z09 s PRO 29 Cb -0.21 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1z09 s PRO 29 CO 0.33 -0.93 0.00 -0.89 0.04 0.00 0.00 177.00 175.55 1z09 n ILE 30 N 5.52 0.00 -1.81 0.56 5.41 -0.28 -4.89 119.36 123.87 1z09 n ILE 30 Ca 0.19 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.56 1z09 n ILE 30 Cb 0.41 -0.01 0.04 0.00 -0.71 0.00 0.00 39.64 39.38 1z09 n ILE 30 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1z09 s LYS 31 N 0.02 3.14 -0.29 0.38 2.47 -1.21 -4.78 119.74 119.48 1z09 s LYS 31 Ca 0.00 2.19 -0.24 0.00 -1.56 0.00 0.00 55.97 56.35 1z09 s LYS 31 Cb 0.00 -2.23 0.15 0.00 -1.46 0.00 0.00 37.83 34.29 1z09 s LYS 31 CO 0.00 -1.18 1.17 -1.54 0.16 0.00 0.00 175.35 173.96 1z09 s SER 32 N -1.02 -0.32 0.00 1.43 1.04 -1.26 0.16 113.70 113.74 1z09 s SER 32 Ca 0.72 0.60 0.16 0.00 0.48 0.00 0.00 55.95 57.91 1z09 s SER 32 Cb -0.39 0.66 0.39 0.00 0.10 0.00 0.00 66.02 66.77 1z09 s SER 32 CO 0.46 -0.10 1.30 0.35 0.98 0.00 0.00 173.24 176.23 1z09 n THR 33 N 2.13 0.78 -0.66 2.02 -2.24 -0.89 -4.62 114.28 110.81 1z09 n THR 33 Ca -0.12 -0.89 0.08 0.00 -2.27 0.00 0.00 64.05 60.85 1z09 n THR 33 Cb 0.56 0.69 0.29 0.00 -2.10 0.00 0.00 70.33 69.77 1z09 n THR 33 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1z09 n MET 34 N 1.00 3.44 0.00 -0.78 0.00 -1.26 -4.77 117.12 114.75 1z09 n MET 34 Ca 0.16 -2.73 0.00 0.00 0.00 0.00 0.00 57.70 55.13 1z09 n MET 34 Cb 0.49 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.93 1z09 n MET 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1z09 n ASP 35 N 0.50 -0.41 -0.20 3.17 2.03 -1.26 -4.50 116.55 115.87 1z09 n ASP 35 Ca 0.22 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.54 1z09 n ASP 35 Cb 0.82 0.21 0.11 0.00 -0.72 0.00 0.00 41.12 41.54 1z09 n ASP 35 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1z09 h ASN 36 N 0.00 -0.17 -0.25 1.67 4.21 -1.97 0.30 115.58 119.36 1z09 h ASN 36 Ca 0.00 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 1z09 h ASN 36 Cb 0.00 0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1z09 h ASN 36 CO 0.00 -0.07 0.09 1.55 -1.29 0.00 0.00 177.43 177.70 1z09 h PRO 37 N 0.16 0.38 -0.71 0.81 0.13 -2.00 -2.21 132.00 128.56 1z09 h PRO 37 Ca 0.32 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.33 1z09 h PRO 37 Cb 0.51 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1z09 h PRO 37 CO -0.48 0.44 0.26 1.15 -0.23 0.00 0.00 178.00 179.15 1z09 h THR 38 N 0.24 1.25 -0.49 1.56 2.02 -1.67 -1.31 112.91 114.50 1z09 h THR 38 Ca 0.08 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.53 1z09 h THR 38 Cb 0.22 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 1z09 h THR 38 CO -0.00 0.32 0.15 0.74 0.37 0.00 0.00 175.52 177.09 1z09 h THR 39 N 1.04 0.79 0.14 3.16 2.02 0.01 -2.88 112.91 117.19 1z09 h THR 39 Ca 0.24 -0.11 -0.33 0.00 0.77 0.00 0.00 66.41 66.98 1z09 h THR 39 Cb 0.23 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1z09 h THR 39 CO -0.02 0.06 -1.72 0.74 0.37 0.00 0.00 175.52 174.95 1z09 h THR 40 N 0.31 0.95 -0.93 3.16 2.02 -1.24 -2.64 112.91 114.54 1z09 h THR 40 Ca 0.24 -2.60 0.06 0.00 0.77 0.00 0.00 66.41 64.89 1z09 h THR 40 Cb 0.28 2.69 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 1z09 h THR 40 CO -0.27 0.82 0.59 0.06 0.37 0.00 0.00 175.52 177.09 1z09 h GLN 41 N 0.08 1.04 0.17 6.66 3.07 -1.21 -1.36 115.11 123.56 1z09 h GLN 41 Ca -0.32 -0.06 -0.33 0.00 0.09 0.00 0.00 58.65 58.03 1z09 h GLN 41 Cb 2.05 -0.23 0.01 0.00 0.08 0.00 0.00 27.48 29.39 1z09 h GLN 41 CO 0.15 0.69 -1.63 1.88 0.09 0.00 0.00 178.83 180.01 1z09 h TYR 42 N 1.07 0.67 -0.18 0.06 -1.99 -1.67 -3.28 116.97 111.66 1z09 h TYR 42 Ca 0.40 -0.49 0.05 0.00 2.00 0.00 0.00 58.73 60.70 1z09 h TYR 42 Cb 0.17 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 38.81 1z09 h TYR 42 CO -0.02 1.63 -0.29 0.00 -0.00 0.00 0.00 178.16 179.49 1z09 h ALA 43 N 0.07 -0.27 -0.84 3.88 0.00 -1.22 0.43 119.26 121.31 1z09 h ALA 43 Ca -0.32 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1z09 h ALA 43 Cb 2.01 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 20.32 1z09 h ALA 43 CO 0.15 -0.74 0.47 0.77 0.00 0.00 0.00 179.25 179.90 1z09 h SER 44 N -0.33 1.04 -0.23 0.00 0.02 -1.42 0.82 113.55 113.45 1z09 h SER 44 Ca 0.11 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1z09 h SER 44 Cb 0.51 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1z09 h SER 44 CO -0.37 0.84 0.05 -0.07 -1.14 0.00 0.00 176.83 176.14 1z09 h LEU 45 N 1.17 0.35 -0.64 5.07 3.38 -1.44 -2.95 115.31 120.25 1z09 h LEU 45 Ca 0.30 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1z09 h LEU 45 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1z09 h LEU 45 CO -0.05 0.50 0.00 0.24 0.09 0.00 0.00 178.44 179.23 1z09 h MET 46 N 0.19 1.07 0.17 1.13 2.86 -0.73 -2.95 114.93 116.66 1z09 h MET 46 Ca 0.07 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1z09 h MET 46 Cb 0.29 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1z09 h MET 46 CO 0.00 1.04 -0.47 1.25 1.06 0.00 0.00 176.91 179.79 1z09 h HIS 47 N 0.97 -1.33 -0.38 -0.22 6.17 -0.72 0.14 115.15 119.77 1z09 h HIS 47 Ca 0.17 0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.36 1z09 h HIS 47 Cb 0.56 0.56 -0.08 0.00 2.52 0.00 0.00 27.41 30.97 1z09 h HIS 47 CO 0.04 -0.57 -0.13 1.03 0.71 0.00 0.00 177.93 179.01 1z09 h SER 48 N -0.74 -0.47 -0.32 3.26 0.87 -1.53 -2.45 113.55 112.18 1z09 h SER 48 Ca 0.00 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1z09 h SER 48 Cb 0.74 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1z09 h SER 48 CO -0.24 -0.17 0.19 0.15 -0.53 0.00 0.00 176.83 176.24 1z09 h PHE 49 N -0.05 0.36 -0.51 2.24 3.04 -1.24 -2.89 116.94 117.90 1z09 h PHE 49 Ca 0.19 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.21 1z09 h PHE 49 Cb 0.34 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.68 1z09 h PHE 49 CO -0.38 0.22 0.20 0.82 -2.02 0.00 0.00 178.31 177.15 1z09 h ILE 50 N 0.39 0.86 -0.56 1.41 2.04 -0.29 0.14 117.51 121.51 1z09 h ILE 50 Ca 0.12 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1z09 h ILE 50 Cb -0.01 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1z09 h ILE 50 CO -0.05 0.07 0.38 -0.07 0.00 0.00 0.00 178.15 178.48 1z09 h LEU 51 N 0.39 0.31 -0.49 1.44 3.38 -1.28 -0.95 115.31 118.12 1z09 h LEU 51 Ca 0.24 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1z09 h LEU 51 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1z09 h LEU 51 CO -0.23 0.19 0.29 0.50 0.09 0.00 0.00 178.44 179.28 1z09 h LYS 52 N 0.34 0.66 0.75 1.13 1.63 -0.77 0.19 116.57 120.50 1z09 h LYS 52 Ca 0.26 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1z09 h LYS 52 Cb 0.56 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1z09 h LYS 52 CO -0.06 0.48 -0.46 0.00 -3.45 0.00 0.00 179.45 175.96 1z09 h ALA 53 N 1.14 -1.18 -0.86 5.00 0.00 -0.98 0.96 119.26 123.34 1z09 h ALA 53 Ca 0.17 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1z09 h ALA 53 Cb -0.01 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1z09 h ALA 53 CO -0.03 -1.18 0.45 0.00 0.00 0.00 0.00 179.25 178.49 1z09 h ARG 54 N -1.14 0.63 0.13 0.00 3.08 -1.34 0.79 114.38 116.53 1z09 h ARG 54 Ca -0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1z09 h ARG 54 Cb 0.91 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1z09 h ARG 54 CO 0.10 0.41 -0.06 0.77 -1.07 0.00 0.00 179.97 180.12 1z09 h SER 55 N 0.65 -0.15 0.38 7.04 0.02 -0.43 -1.39 113.55 119.67 1z09 h SER 55 Ca 0.46 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1z09 h SER 55 Cb 0.64 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1z09 h SER 55 CO -0.35 -0.07 -0.28 0.74 -1.14 0.00 0.00 176.83 175.73 1z09 h THR 56 N -0.21 0.42 -0.58 -2.27 2.02 0.39 0.17 112.91 112.85 1z09 h THR 56 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1z09 h THR 56 Cb 0.16 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1z09 h THR 56 CO 0.03 0.00 0.35 -0.37 0.37 0.00 0.00 175.52 175.89 1z09 h VAL 57 N -0.65 1.04 0.00 3.16 -1.51 0.45 -2.18 116.25 116.57 1z09 h VAL 57 Ca -0.03 -0.23 -0.10 0.00 -1.23 0.00 0.00 66.70 65.10 1z09 h VAL 57 Cb 0.56 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1z09 h VAL 57 CO 0.01 0.12 -0.48 -0.09 -1.23 0.00 0.00 177.57 175.90 1z09 h ARG 58 N 0.68 0.00 -0.95 5.19 2.43 -1.14 -3.13 114.38 117.45 1z09 h ARG 58 Ca 0.24 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.53 1z09 h ARG 58 Cb 0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1z09 h ARG 58 CO -0.12 0.48 0.58 0.22 -1.51 0.00 0.00 179.97 179.62 1z09 h ASP 59 N 0.00 0.84 0.24 -3.80 3.58 0.02 -2.84 116.42 114.45 1z09 h ASP 59 Ca -0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1z09 h ASP 59 Cb 1.01 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1z09 h ASP 59 CO 0.06 0.44 -0.11 0.40 -2.88 0.00 0.00 179.24 177.15 1z09 h ILE 60 N 0.92 0.49 -1.94 2.25 2.04 -1.55 -3.47 117.51 116.24 1z09 h ILE 60 Ca 0.47 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1z09 h ILE 60 Cb 0.47 0.83 -0.22 0.00 -0.74 0.00 0.00 36.82 37.16 1z09 h ILE 60 CO -0.27 0.13 0.15 1.51 0.00 0.00 0.00 178.15 179.67 1z09 s ASP 61 N -5.29 -0.76 0.16 1.72 -4.77 -1.07 -5.01 116.67 101.64 1z09 s ASP 61 Ca -0.10 1.38 0.19 0.00 -3.30 0.00 0.00 52.55 50.72 1z09 s ASP 61 Cb 0.00 1.38 0.81 0.00 -1.09 0.00 0.00 42.92 44.02 1z09 s ASP 61 CO 0.36 -0.23 1.57 -0.81 0.70 0.00 0.00 175.17 176.75 1z09 n PRO 62 N 3.10 0.11 0.05 2.11 -0.04 -1.26 -3.25 135.00 135.81 1z09 n PRO 62 Ca -0.16 0.39 0.20 0.00 -0.04 0.00 0.00 63.50 63.89 1z09 n PRO 62 Cb 0.56 -1.73 0.73 0.00 -0.04 0.00 0.00 33.50 33.02 1z09 n PRO 62 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1z09 h GLN 63 N 0.00 0.00 -5.82 0.54 4.20 -1.93 -3.43 115.11 108.67 1z09 h GLN 63 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1z09 h GLN 63 Cb 0.27 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1z09 h GLN 63 CO 0.00 0.00 -0.38 0.54 -0.67 0.00 0.00 178.83 178.32 1z09 s ASN 64 N -5.90 4.54 -0.17 1.46 2.20 -1.20 -5.15 114.94 110.72 1z09 s ASN 64 Ca -0.05 -1.24 -0.29 0.00 -0.94 0.00 0.00 52.86 50.35 1z09 s ASN 64 Cb 0.18 0.17 0.10 0.00 -2.00 0.00 0.00 41.25 39.70 1z09 s ASN 64 CO 0.66 -0.91 0.86 -0.62 -2.94 0.00 0.00 177.10 174.15 1z09 s ASP 65 N -4.12 -0.53 -0.15 3.54 2.15 -1.26 -4.82 116.67 111.47 1z09 s ASP 65 Ca 0.32 0.76 -0.29 0.00 0.43 0.00 0.00 52.55 53.77 1z09 s ASP 65 Cb -0.00 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.26 1z09 s ASP 65 CO 0.19 -0.37 1.55 -0.76 -0.17 0.00 0.00 175.17 175.61 1z09 s LEU 66 N -0.62 4.10 0.01 -1.34 1.43 -1.26 -4.86 118.68 116.15 1z09 s LEU 66 Ca -0.03 1.84 0.22 0.00 -1.03 0.00 0.00 54.13 55.12 1z09 s LEU 66 Cb -0.02 -3.53 -0.25 0.00 0.03 0.00 0.00 46.19 42.42 1z09 s LEU 66 CO 0.02 -1.04 0.59 1.07 0.23 0.00 0.00 176.35 177.23 1z09 n THR 67 N 5.87 0.31 -3.20 5.49 5.66 -1.26 -4.89 114.28 122.26 1z09 n THR 67 Ca 0.17 -0.55 0.04 0.00 -3.05 0.00 0.00 64.05 60.66 1z09 n THR 67 Cb 0.44 -0.15 -0.03 0.00 -1.55 0.00 0.00 70.33 69.04 1z09 n THR 67 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1z09 s PHE 68 N -3.37 -0.27 0.43 1.09 5.36 -1.26 -4.73 117.98 115.24 1z09 s PHE 68 Ca -0.06 0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 56.25 1z09 s PHE 68 Cb 0.12 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.89 1z09 s PHE 68 CO 0.87 -0.14 0.72 -1.17 -1.46 0.00 0.00 175.22 174.04 1z09 s LEU 69 N 2.51 3.75 -0.28 6.12 1.98 -1.25 -5.05 118.68 126.46 1z09 s LEU 69 Ca -0.03 0.85 0.01 0.00 -2.89 0.00 0.00 54.13 52.07 1z09 s LEU 69 Cb -0.05 -3.77 0.17 0.00 0.66 0.00 0.00 46.19 43.20 1z09 s LEU 69 CO -0.13 -0.48 0.50 -0.60 -1.89 0.00 0.00 176.35 173.74 1z09 s ARG 70 N -4.48 0.48 0.48 1.98 3.00 -1.26 -4.09 118.95 115.06 1z09 s ARG 70 Ca 0.46 0.54 0.02 0.00 -1.00 0.00 0.00 55.73 55.74 1z09 s ARG 70 Cb -0.10 0.01 0.01 0.00 0.00 0.00 0.00 34.95 34.87 1z09 s ARG 70 CO 0.41 -0.86 0.70 0.42 0.00 0.00 0.00 175.30 175.97 1z09 s ILE 71 N 2.69 3.34 -0.30 4.11 1.01 0.12 -5.01 121.20 127.16 1z09 s ILE 71 Ca 0.13 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1z09 s ILE 71 Cb -0.13 -3.23 0.14 0.00 0.01 0.00 0.00 42.46 39.25 1z09 s ILE 71 CO -0.24 -0.15 0.30 -0.60 0.00 0.00 0.00 174.94 174.25 1z09 s ARG 72 N -4.61 0.36 0.27 2.79 3.52 -1.26 -3.24 118.95 116.78 1z09 s ARG 72 Ca 0.53 -0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1z09 s ARG 72 Cb -0.10 -0.69 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1z09 s ARG 72 CO 0.37 -1.06 0.45 -1.12 -0.81 0.00 0.00 175.30 173.14 1z09 s SER 73 N 2.21 6.34 0.24 -2.12 0.01 -0.46 -4.98 113.70 114.94 1z09 s SER 73 Ca 0.10 0.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.66 1z09 s SER 73 Cb -0.14 -1.99 0.30 0.00 0.21 0.00 0.00 66.02 64.40 1z09 s SER 73 CO -0.29 -0.15 1.88 0.11 0.41 0.00 0.00 173.24 175.21 1z09 h LYS 74 N 1.32 1.10 0.00 12.44 1.79 -2.03 -2.86 116.57 128.33 1z09 h LYS 74 Ca -0.50 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1z09 h LYS 74 Cb 1.21 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1z09 h LYS 74 CO 0.64 0.73 -0.35 -0.22 -1.08 0.00 0.00 179.45 179.17 1z09 h LYS 75 N 1.13 0.00 -1.31 3.15 1.63 -2.02 -3.49 116.57 115.67 1z09 h LYS 75 Ca 0.37 0.00 0.34 0.00 -0.85 0.00 0.00 60.65 60.51 1z09 h LYS 75 Cb 0.03 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.53 1z09 h LYS 75 CO -0.13 0.00 0.88 1.21 -3.45 0.00 0.00 179.45 177.96 1z09 s ASN 76 N -5.09 -0.05 -0.14 4.20 3.84 -1.08 -5.04 114.94 111.58 1z09 s ASN 76 Ca 0.06 -0.08 -0.12 0.00 0.21 0.00 0.00 52.86 52.94 1z09 s ASN 76 Cb 0.10 0.11 -0.05 0.00 -0.55 0.00 0.00 41.25 40.86 1z09 s ASN 76 CO 0.69 -0.20 0.24 -1.61 -2.79 0.00 0.00 177.10 173.43 1z09 s GLU 77 N -2.29 4.04 -0.18 0.43 2.02 -1.22 -1.35 118.70 120.15 1z09 s GLU 77 Ca 0.14 0.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.09 1z09 s GLU 77 Cb 0.05 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1z09 s GLU 77 CO -0.05 0.41 0.03 0.42 0.02 0.00 0.00 175.26 176.10 1z09 s ILE 78 N -0.03 4.47 -0.12 -1.63 1.01 -1.20 -4.15 121.20 119.53 1z09 s ILE 78 Ca 0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 1z09 s ILE 78 Cb -0.13 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.38 1z09 s ILE 78 CO 0.04 0.46 0.32 -0.04 0.00 0.00 0.00 174.94 175.72 1z09 s MET 79 N 0.44 0.35 -0.17 2.79 -1.94 -1.26 0.14 119.30 119.64 1z09 s MET 79 Ca 0.01 0.49 -0.04 0.00 -1.71 0.00 0.00 55.69 54.44 1z09 s MET 79 Cb -0.13 0.11 0.06 0.00 2.01 0.00 0.00 34.83 36.87 1z09 s MET 79 CO 0.01 -0.08 0.07 0.08 -0.01 0.00 0.00 175.02 175.10 1z09 s VAL 80 N 0.48 0.09 -0.46 -6.03 1.01 -1.26 -1.35 120.40 112.88 1z09 s VAL 80 Ca -0.03 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1z09 s VAL 80 Cb -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1z09 s VAL 80 CO -0.03 -0.23 0.64 0.00 0.00 0.00 0.00 175.10 175.48 1z09 s ALA 81 N 2.06 3.35 -0.41 5.51 0.00 -1.03 -3.82 121.76 127.42 1z09 s ALA 81 Ca 0.01 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1z09 s ALA 81 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1z09 s ALA 81 CO -0.08 -1.86 1.38 -1.25 0.00 0.00 0.00 175.76 173.94 1z09 s PRO 82 N 2.78 3.61 0.00 0.00 0.04 -1.26 -3.82 135.00 136.36 1z09 s PRO 82 Ca 0.20 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1z09 s PRO 82 Cb -0.16 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1z09 s PRO 82 CO 0.17 -1.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.22 1z09 n ASP 83 N 8.65 0.00 -0.24 6.66 2.03 -1.09 -4.89 116.55 127.67 1z09 n ASP 83 Ca 0.16 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.40 1z09 n ASP 83 Cb 0.48 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.92 1z09 n ASP 83 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1z09 h LYS 84 N 0.00 1.04 0.00 -0.67 1.57 -2.02 -3.42 116.57 113.06 1z09 h LYS 84 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1z09 h LYS 84 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1z09 h LYS 84 CO 0.00 0.90 0.00 -3.47 -0.57 0.00 0.00 179.45 176.31 1z09 n ASP 85 N -4.34 0.00 -4.92 0.86 2.03 -1.26 -5.10 116.55 103.82 1z09 n ASP 85 Ca 0.05 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.09 1z09 n ASP 85 Cb 0.22 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.68 1z09 n ASP 85 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1z09 s TYR 86 N -0.35 3.04 -0.21 -0.67 2.02 -1.26 -3.68 117.35 116.24 1z09 s TYR 86 Ca 0.00 0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 57.20 1z09 s TYR 86 Cb 0.00 -3.14 0.08 0.00 -0.40 0.00 0.00 41.96 38.50 1z09 s TYR 86 CO 0.00 -1.33 0.49 -0.06 -1.57 0.00 0.00 175.55 173.09 1z09 s PHE 87 N -3.26 -0.80 0.02 2.71 0.08 -0.32 -2.66 117.98 113.75 1z09 s PHE 87 Ca 0.59 1.61 -0.05 0.00 0.12 0.00 0.00 56.93 59.20 1z09 s PHE 87 Cb -0.11 0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 42.73 1z09 s PHE 87 CO 0.46 -0.44 0.09 -0.48 -0.10 0.00 0.00 175.22 174.75 1z09 s LEU 88 N 1.82 1.80 -0.23 -0.37 -0.00 -1.25 -0.43 118.68 120.02 1z09 s LEU 88 Ca -0.08 -0.40 -0.07 0.00 -0.00 0.00 0.00 54.13 53.58 1z09 s LEU 88 Cb -0.09 0.52 -0.03 0.00 -0.00 0.00 0.00 46.19 46.60 1z09 s LEU 88 CO -0.15 -0.41 0.07 -0.63 -0.00 0.00 0.00 176.35 175.23 1z09 s ILE 89 N -1.88 4.44 -0.47 1.48 1.01 -0.69 -2.46 121.20 122.63 1z09 s ILE 89 Ca -0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 1z09 s ILE 89 Cb -0.06 -3.05 0.11 0.00 0.01 0.00 0.00 42.46 39.47 1z09 s ILE 89 CO -0.01 0.38 0.36 -0.69 0.00 0.00 0.00 174.94 174.97 1z09 s VAL 90 N 1.22 4.49 -0.24 2.92 1.01 -0.46 -1.80 120.40 127.55 1z09 s VAL 90 Ca 0.05 -1.56 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 1z09 s VAL 90 Cb -0.14 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1z09 s VAL 90 CO 0.03 -0.70 0.86 -0.63 0.00 0.00 0.00 175.10 174.66 1z09 s ILE 91 N 1.45 4.81 0.23 2.22 1.09 0.36 -4.27 121.20 127.10 1z09 s ILE 91 Ca 0.04 1.63 -0.13 0.00 -1.10 0.00 0.00 60.65 61.09 1z09 s ILE 91 Cb -0.26 -4.15 -0.00 0.00 -1.06 0.00 0.00 42.46 36.99 1z09 s ILE 91 CO 0.01 -0.09 0.46 -1.58 -0.10 0.00 0.00 174.94 173.64 1z09 s GLN 92 N 2.90 1.49 -0.29 2.79 0.74 -1.26 -1.08 119.66 124.95 1z09 s GLN 92 Ca 0.36 -1.20 -0.24 0.00 0.05 0.00 0.00 55.36 54.33 1z09 s GLN 92 Cb -0.15 0.47 0.17 0.00 1.10 0.00 0.00 33.01 34.60 1z09 s GLN 92 CO 0.07 -0.62 1.33 1.21 -0.55 0.00 0.00 175.29 176.73 1z09 s ASN 93 N -3.00 -0.16 -0.13 6.67 2.47 -1.19 -3.46 114.94 116.14 1z09 s ASN 93 Ca 0.20 0.30 0.04 0.00 0.42 0.00 0.00 52.86 53.83 1z09 s ASN 93 Cb -0.00 0.36 0.32 0.00 -1.45 0.00 0.00 41.25 40.47 1z09 s ASN 93 CO 0.07 -0.05 1.16 -0.81 -3.72 0.00 0.00 177.10 173.75 1z09 n PRO 94 N 1.85 2.20 0.00 0.43 -0.04 -1.26 -4.51 135.00 133.67 1z09 n PRO 94 Ca -0.11 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1z09 n PRO 94 Cb 0.57 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.09 0.00 -0.34 0.52 -1.04 -1.26 -5.14 114.28 107.10 1z09 n THR 95 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1z09 n THR 95 Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1z09 n THR 95 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81