#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzj s PRO 2 N 0.00 3.00 0.00 1.09 0.04 -1.26 -4.94 135.00 132.93 1pzj s PRO 2 Ca 0.00 1.88 0.22 0.00 0.04 0.00 0.00 61.00 63.14 1pzj s PRO 2 Cb 0.00 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1pzj s PRO 2 CO 0.00 -1.20 0.98 1.04 0.04 0.00 0.00 177.00 177.86 1pzj n GLN 3 N -1.50 0.18 -3.80 4.56 6.02 -1.26 -4.96 117.38 116.62 1pzj n GLN 3 Ca 0.13 -0.15 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 1pzj n GLN 3 Cb 0.49 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 1pzj n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pzj s ASN 4 N -2.92 -0.27 0.35 1.08 2.20 -1.26 -5.06 114.94 109.06 1pzj s ASN 4 Ca 0.10 -0.56 0.09 0.00 -0.94 0.00 0.00 52.86 51.55 1pzj s ASN 4 Cb 0.16 0.66 0.66 0.00 -2.00 0.00 0.00 41.25 40.73 1pzj s ASN 4 CO 0.81 -1.20 1.83 -0.29 -2.94 0.00 0.00 177.10 175.30 1pzj h ILE 5 N 2.09 1.24 -0.27 0.54 2.10 -1.96 -2.02 117.51 119.22 1pzj h ILE 5 Ca -0.24 -1.12 -0.04 0.00 1.08 0.00 0.00 64.86 64.54 1pzj h ILE 5 Cb 1.26 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 1pzj h ILE 5 CO 0.30 0.34 0.02 0.74 -1.08 0.00 0.00 178.15 178.46 1pzj h THR 6 N 0.18 1.25 -0.48 2.19 2.02 -1.99 0.26 112.91 116.34 1pzj h THR 6 Ca 0.03 -0.87 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 1pzj h THR 6 Cb 0.57 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1pzj h THR 6 CO 0.04 0.28 -0.13 0.44 0.37 0.00 0.00 175.52 176.52 1pzj h ASP 7 N 0.26 0.89 -0.32 4.18 3.32 -1.96 -2.23 116.42 120.56 1pzj h ASP 7 Ca 0.08 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1pzj h ASP 7 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1pzj h ASP 7 CO 0.01 1.02 0.19 0.25 -1.72 0.00 0.00 179.24 178.99 1pzj h LEU 8 N 0.79 0.39 -0.98 1.55 6.46 -1.22 -2.83 115.31 119.48 1pzj h LEU 8 Ca 0.13 -0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1pzj h LEU 8 Cb 0.65 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1pzj h LEU 8 CO 0.05 0.34 0.64 0.00 -0.62 0.00 0.00 178.44 178.84 1pzj n ALA 10 N -2.36 1.80 0.93 0.00 0.00 -0.86 -2.24 120.51 117.77 1pzj n ALA 10 Ca 0.14 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1pzj n ALA 10 Cb 0.13 -1.27 0.55 0.00 0.00 0.00 0.00 19.45 18.86 1pzj n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pzj n GLU 11 N -1.47 0.09 -4.58 0.00 1.02 -0.69 -4.84 120.64 110.18 1pzj n GLU 11 Ca 0.05 0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 1pzj n GLU 11 Cb 0.19 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1pzj n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pzj s TYR 12 N -2.90 2.43 0.50 -0.32 1.51 -0.95 -5.12 117.35 112.49 1pzj s TYR 12 Ca 0.15 -0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1pzj s TYR 12 Cb 0.16 -1.36 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 1pzj s TYR 12 CO 0.43 0.27 1.06 -1.01 -1.11 0.00 0.00 175.55 175.19 1pzj s HIS 13 N -0.98 2.94 -1.05 2.71 3.76 -1.26 -4.20 115.29 117.20 1pzj s HIS 13 Ca 0.14 1.57 -0.02 0.00 -0.15 0.00 0.00 55.06 56.60 1pzj s HIS 13 Cb -0.10 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.48 1pzj s HIS 13 CO 0.06 -0.97 0.31 0.09 -0.85 0.00 0.00 174.74 173.38 1pzj n ASN 14 N -1.02 -4.48 -4.53 1.40 5.03 -1.26 -4.98 115.26 105.42 1pzj n ASN 14 Ca 0.10 -0.15 -0.25 0.00 0.87 0.00 0.00 54.58 55.15 1pzj n ASN 14 Cb 0.52 -3.41 -0.10 0.00 -1.02 0.00 0.00 39.78 35.76 1pzj n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pzj s THR 15 N -2.89 2.11 0.12 3.41 -4.23 -1.26 -1.11 115.64 111.80 1pzj s THR 15 Ca 0.15 -2.18 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 1pzj s THR 15 Cb -0.07 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1pzj s THR 15 CO 0.19 -0.21 0.38 0.00 -0.54 0.00 0.00 174.62 174.44 1pzj s GLN 16 N -3.64 1.05 0.02 3.99 -2.07 -0.49 -4.84 119.66 113.69 1pzj s GLN 16 Ca 0.32 -0.75 -0.18 0.00 -1.82 0.00 0.00 55.36 52.94 1pzj s GLN 16 Cb 0.03 0.46 -0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1pzj s GLN 16 CO 0.16 -0.41 0.51 0.96 -1.32 0.00 0.00 175.29 175.19 1pzj s ILE 17 N -3.81 4.90 -0.15 3.63 -4.36 -1.26 -1.33 121.20 118.81 1pzj s ILE 17 Ca 0.04 1.06 -0.04 0.00 -0.26 0.00 0.00 60.65 61.45 1pzj s ILE 17 Cb 0.02 -3.83 -0.03 0.00 1.25 0.00 0.00 42.46 39.87 1pzj s ILE 17 CO -0.11 0.53 -0.02 -1.00 0.24 0.00 0.00 174.94 174.58 1pzj s HIS 18 N -0.87 3.07 -0.33 1.37 3.76 -0.15 -4.99 115.29 117.14 1pzj s HIS 18 Ca 0.27 -0.19 -0.11 0.00 -0.15 0.00 0.00 55.06 54.88 1pzj s HIS 18 Cb -0.18 -1.96 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1pzj s HIS 18 CO 0.16 0.05 0.19 0.99 -0.85 0.00 0.00 174.74 175.28 1pzj s THR 19 N 0.23 4.79 -0.26 1.30 2.01 -1.26 -1.36 115.64 121.09 1pzj s THR 19 Ca -0.01 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1pzj s THR 19 Cb -0.14 -3.50 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 1pzj s THR 19 CO 0.02 -0.03 -0.27 0.18 -0.69 0.00 0.00 174.62 173.84 1pzj n LEU 20 N 5.02 2.50 -4.20 4.42 7.99 -0.05 -5.01 117.00 127.68 1pzj n LEU 20 Ca -0.13 0.06 -0.35 0.00 -0.01 0.00 0.00 56.01 55.58 1pzj n LEU 20 Cb 0.49 -0.83 -0.06 0.00 -0.11 0.00 0.00 43.42 42.90 1pzj n LEU 20 CO 0.35 0.76 -0.37 0.59 -1.51 0.00 0.00 177.39 177.22 1pzj n ASN 21 N -3.65 -0.64 -3.55 -1.43 3.02 -0.09 -4.94 115.26 103.98 1pzj n ASN 21 Ca -0.48 -1.24 -0.14 0.00 -0.03 0.00 0.00 54.58 52.69 1pzj n ASN 21 Cb 0.93 -1.52 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1pzj n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pzj s ASP 22 N -4.09 -0.46 0.75 6.41 2.15 -0.67 -4.90 116.67 115.85 1pzj s ASP 22 Ca 0.15 0.18 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 1pzj s ASP 22 Cb -0.09 0.51 0.04 0.00 -0.30 0.00 0.00 42.92 43.08 1pzj s ASP 22 CO 0.95 -0.75 1.08 -1.59 -0.17 0.00 0.00 175.17 174.70 1pzj s LYS 23 N -2.56 2.50 0.10 4.34 -2.85 -1.26 -0.74 119.74 119.27 1pzj s LYS 23 Ca -0.05 1.05 -0.31 0.00 -1.00 0.00 0.00 55.97 55.67 1pzj s LYS 23 Cb -0.01 -1.93 -0.07 0.00 -2.06 0.00 0.00 37.83 33.76 1pzj s LYS 23 CO -0.03 -1.44 1.26 0.42 0.10 0.00 0.00 175.35 175.66 1pzj s ILE 24 N -2.97 3.71 -0.01 3.79 1.01 -1.26 -4.68 121.20 120.79 1pzj s ILE 24 Ca 0.60 1.27 -0.10 0.00 0.00 0.00 0.00 60.65 62.42 1pzj s ILE 24 Cb -0.16 -3.81 -0.31 0.00 0.01 0.00 0.00 42.46 38.19 1pzj s ILE 24 CO 0.56 0.12 0.82 0.15 0.00 0.00 0.00 174.94 176.59 1pzj h PHE 25 N 6.47 0.71 -3.53 3.97 3.57 -0.79 -3.47 116.94 123.86 1pzj h PHE 25 Ca -0.42 -0.52 -0.14 0.00 3.53 0.00 0.00 57.97 60.42 1pzj h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1pzj h PHE 25 CO 0.66 1.56 -0.47 -1.54 -2.23 0.00 0.00 178.31 176.28 1pzj s SER 26 N -7.29 0.04 -0.08 0.41 1.04 -1.07 -4.97 113.70 101.79 1pzj s SER 26 Ca -0.12 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1pzj s SER 26 Cb 0.05 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1pzj s SER 26 CO 0.88 -0.41 -0.09 -0.47 0.98 0.00 0.00 173.24 174.13 1pzj s TYR 27 N -1.66 1.30 -0.03 5.02 5.04 -1.26 -1.86 117.35 123.91 1pzj s TYR 27 Ca -0.13 -0.53 0.04 0.00 -2.44 0.00 0.00 57.07 54.02 1pzj s TYR 27 Cb -0.06 -1.04 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 1pzj s TYR 27 CO 0.00 -0.34 -0.16 0.99 -1.34 0.00 0.00 175.55 174.71 1pzj s THR 28 N 1.12 1.27 0.02 4.34 2.01 0.00 -5.00 115.64 119.41 1pzj s THR 28 Ca -0.07 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1pzj s THR 28 Cb -0.14 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1pzj s THR 28 CO -0.01 0.37 -0.02 -1.83 -0.69 0.00 0.00 174.62 172.44 1pzj s GLU 29 N -0.13 0.36 0.00 4.92 -1.05 -1.26 -0.85 118.70 120.70 1pzj s GLU 29 Ca 0.01 -0.68 0.03 0.00 -0.15 0.00 0.00 54.97 54.18 1pzj s GLU 29 Cb -0.09 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.72 1pzj s GLU 29 CO 0.01 -0.06 -0.11 0.45 0.95 0.00 0.00 175.26 176.50 1pzj s SER 30 N -1.66 1.24 0.00 0.83 0.15 -0.71 -5.01 113.70 108.54 1pzj s SER 30 Ca -0.13 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.39 1pzj s SER 30 Cb -0.07 -0.12 0.21 0.00 -1.71 0.00 0.00 66.02 64.33 1pzj s SER 30 CO -0.02 0.09 1.08 0.00 1.20 0.00 0.00 173.24 175.59 1pzj n LEU 31 N 2.61 2.50 -4.77 3.45 -0.00 -1.26 -3.08 117.00 116.45 1pzj n LEU 31 Ca -0.15 -1.50 -0.39 0.00 -0.00 0.00 0.00 56.01 53.97 1pzj n LEU 31 Cb 0.56 -0.13 -0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1pzj n LEU 31 CO 0.24 0.56 0.96 0.00 -0.00 0.00 0.00 177.39 179.16 1pzj s ALA 32 N -1.00 3.24 0.20 1.47 0.00 -1.26 -4.82 121.76 119.59 1pzj s ALA 32 Ca 0.20 1.23 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 1pzj s ALA 32 Cb 0.12 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1pzj s ALA 32 CO 0.16 -0.85 1.70 0.20 0.00 0.00 0.00 175.76 176.98 1pzj s GLY 33 N -0.76 1.25 0.00 0.00 0.00 -1.26 -0.93 107.32 105.62 1pzj s GLY 33 Ca 0.58 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1pzj s GLY 33 CO 0.49 2.85 0.00 0.28 0.00 0.00 0.00 173.10 176.72 1pzj n LYS 34 N 3.99 -0.25 -2.56 2.90 4.76 -1.26 -4.82 118.16 120.91 1pzj n LYS 34 Ca 0.16 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 1pzj n LYS 34 Cb 0.36 -3.45 0.04 0.00 -1.84 0.00 0.00 35.03 30.13 1pzj n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pzj n ARG 35 N -1.82 2.32 -2.56 1.97 5.12 -0.10 -4.97 116.66 116.62 1pzj n ARG 35 Ca 0.00 -3.73 -0.41 0.00 -1.93 0.00 0.00 57.85 51.78 1pzj n ARG 35 Cb 0.06 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.53 1pzj n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pzj s GLU 36 N -3.68 3.70 0.22 5.56 8.01 -1.13 -4.33 118.70 127.04 1pzj s GLU 36 Ca 0.35 -1.37 -0.09 0.00 0.01 0.00 0.00 54.97 53.87 1pzj s GLU 36 Cb 0.36 -5.41 -0.01 0.00 -4.31 0.00 0.00 34.13 24.76 1pzj s GLU 36 CO -0.02 -2.24 0.36 0.00 0.01 0.00 0.00 175.26 173.37 1pzj s MET 37 N 4.78 1.39 0.13 1.61 0.23 -1.18 -4.17 119.30 122.09 1pzj s MET 37 Ca 0.49 -1.33 0.09 0.00 -1.03 0.00 0.00 55.69 53.91 1pzj s MET 37 Cb 0.01 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1pzj s MET 37 CO -0.05 -0.54 -0.20 0.00 -2.03 0.00 0.00 175.02 172.20 1pzj s ALA 38 N -4.04 1.91 -0.04 3.16 0.00 -1.18 -1.74 121.76 119.84 1pzj s ALA 38 Ca 0.25 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1pzj s ALA 38 Cb 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1pzj s ALA 38 CO 0.08 0.33 -0.08 0.42 0.00 0.00 0.00 175.76 176.51 1pzj s ILE 39 N -1.46 0.76 0.17 0.00 1.01 -0.03 -1.09 121.20 120.56 1pzj s ILE 39 Ca 0.10 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1pzj s ILE 39 Cb -0.09 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1pzj s ILE 39 CO 0.05 0.26 -0.22 0.27 0.00 0.00 0.00 174.94 175.30 1pzj s ILE 40 N 0.55 2.10 0.13 2.92 -4.36 -0.18 -0.82 121.20 121.54 1pzj s ILE 40 Ca -0.09 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1pzj s ILE 40 Cb -0.12 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1pzj s ILE 40 CO 0.01 -0.17 -0.09 0.42 0.24 0.00 0.00 174.94 175.35 1pzj s THR 41 N -1.72 0.99 0.29 8.37 -4.23 -0.78 -0.97 115.64 117.60 1pzj s THR 41 Ca 0.17 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.80 1pzj s THR 41 Cb -0.07 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1pzj s THR 41 CO 0.08 -0.78 -0.13 -0.36 -0.54 0.00 0.00 174.62 172.89 1pzj s PHE 42 N -3.36 2.40 0.48 3.99 0.08 -0.30 -0.05 117.98 121.22 1pzj s PHE 42 Ca 0.14 -0.34 0.30 0.00 0.12 0.00 0.00 56.93 57.15 1pzj s PHE 42 Cb 0.03 -1.13 1.65 0.00 -0.57 0.00 0.00 43.02 43.00 1pzj s PHE 42 CO -0.01 0.66 2.15 1.57 -0.10 0.00 0.00 175.22 179.49 1pzj h LYS 43 N 2.12 0.00 0.00 0.44 2.10 -1.89 0.36 116.57 119.70 1pzj h LYS 43 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1pzj h LYS 43 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1pzj h LYS 43 CO 0.62 0.07 0.00 0.27 -2.00 0.00 0.00 179.45 178.41 1pzj n ASN 44 N -3.64 0.00 0.00 7.07 6.94 -1.26 -4.86 115.26 119.51 1pzj n ASN 44 Ca -0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 1pzj n ASN 44 Cb 0.18 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1pzj n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pzj n GLY 45 N 0.29 0.76 3.75 4.83 0.00 0.12 -5.05 105.19 109.88 1pzj n GLY 45 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pzj n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzj s ALA 46 N -2.33 3.62 -0.02 4.61 0.00 -1.24 -4.79 121.76 121.61 1pzj s ALA 46 Ca 0.00 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.35 1pzj s ALA 46 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1pzj s ALA 46 CO 0.00 -0.73 -0.24 0.99 0.00 0.00 0.00 175.76 175.78 1pzj s THR 47 N -0.03 1.87 0.03 0.00 2.01 -1.26 -1.15 115.64 117.11 1pzj s THR 47 Ca 0.59 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1pzj s THR 47 Cb -0.42 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1pzj s THR 47 CO 0.43 0.53 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.49 1pzj s PHE 48 N -0.56 0.34 0.18 4.92 0.08 -0.14 -4.11 117.98 118.69 1pzj s PHE 48 Ca 0.09 -0.56 0.11 0.00 0.12 0.00 0.00 56.93 56.68 1pzj s PHE 48 Cb -0.09 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 1pzj s PHE 48 CO -0.01 -0.19 -0.20 1.14 -0.10 0.00 0.00 175.22 175.86 1pzj s GLN 49 N -1.66 1.65 -0.38 0.44 -2.07 -0.55 -1.01 119.66 116.08 1pzj s GLN 49 Ca -0.13 -1.43 -0.15 0.00 -1.82 0.00 0.00 55.36 51.83 1pzj s GLN 49 Cb -0.09 -1.94 0.01 0.00 -1.09 0.00 0.00 33.01 29.90 1pzj s GLN 49 CO -0.01 0.42 0.31 0.08 -1.32 0.00 0.00 175.29 174.76 1pzj s VAL 50 N -1.60 5.23 0.63 3.63 1.01 -0.25 -0.67 120.40 128.38 1pzj s VAL 50 Ca 0.21 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1pzj s VAL 50 Cb -0.08 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1pzj s VAL 50 CO 0.11 -0.21 1.31 -1.61 0.00 0.00 0.00 175.10 174.69 1pzj s GLU 51 N 1.79 2.67 0.29 2.72 2.02 -1.26 -3.10 118.70 123.83 1pzj s GLU 51 Ca 0.07 2.10 -0.30 0.00 0.02 0.00 0.00 54.97 56.86 1pzj s GLU 51 Cb -0.18 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 32.00 1pzj s GLU 51 CO 0.11 -1.52 1.55 0.28 0.02 0.00 0.00 175.26 175.70 1pzj n VAL 52 N -1.73 1.06 -1.78 2.63 0.31 -1.26 -4.88 118.33 112.68 1pzj n VAL 52 Ca 0.15 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 1pzj n VAL 52 Cb 0.47 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1pzj n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1pzj s PRO 53 N -0.56 4.13 0.10 5.55 0.02 -1.26 -4.97 135.00 138.01 1pzj s PRO 53 Ca 0.64 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 64.23 1pzj s PRO 53 Cb -0.53 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1pzj s PRO 53 CO 0.49 -0.67 0.13 0.41 -0.33 0.00 0.00 177.00 177.04 1pzj n GLY 54 N 2.90 2.95 0.18 0.52 0.00 -1.26 -5.04 105.19 105.44 1pzj n GLY 54 Ca 0.11 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.80 1pzj n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pzj h SER 55 N 0.55 0.00 1.05 1.61 0.02 -2.02 -1.64 113.55 113.12 1pzj h SER 55 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1pzj h SER 55 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1pzj h SER 55 CO 0.10 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.85 1pzj h GLN 56 N 0.00 0.00 -6.05 3.45 -0.00 -1.97 -3.44 115.11 107.10 1pzj h GLN 56 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 1pzj h GLN 56 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.77 1pzj h GLN 56 CO 0.00 0.00 -0.17 -1.01 -0.00 0.00 0.00 178.83 177.65 1pzj s HIS 57 N -3.41 3.74 0.56 0.06 3.76 -0.62 -5.09 115.29 114.29 1pzj s HIS 57 Ca 0.04 1.04 -0.07 0.00 -0.15 0.00 0.00 55.06 55.92 1pzj s HIS 57 Cb 0.09 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 1pzj s HIS 57 CO 0.50 0.64 0.90 0.96 -0.85 0.00 0.00 174.74 176.88 1pzj s ILE 58 N -1.08 4.43 0.24 0.60 -4.36 -1.26 -4.91 121.20 114.86 1pzj s ILE 58 Ca 0.25 0.33 -0.06 0.00 -0.26 0.00 0.00 60.65 60.90 1pzj s ILE 58 Cb -0.17 -3.73 0.21 0.00 1.25 0.00 0.00 42.46 40.02 1pzj s ILE 58 CO 0.14 -0.80 1.85 -0.78 0.24 0.00 0.00 174.94 175.59 1pzj h ASP 59 N -0.07 0.84 -0.01 4.36 3.58 -1.98 -0.80 116.42 122.34 1pzj h ASP 59 Ca -0.46 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1pzj h ASP 59 Cb 1.22 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1pzj h ASP 59 CO 0.62 0.54 0.02 0.77 -2.88 0.00 0.00 179.24 178.31 1pzj h SER 60 N 0.98 0.00 1.53 2.28 4.64 -2.05 -1.38 113.55 119.55 1pzj h SER 60 Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1pzj h SER 60 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pzj h SER 60 CO -0.16 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.29 1pzj h GLN 61 N 0.00 0.00 -0.09 4.77 4.20 -1.52 -3.37 115.11 119.10 1pzj h GLN 61 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pzj h GLN 61 Cb 0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1pzj h GLN 61 CO -0.00 0.06 0.06 0.87 -0.67 0.00 0.00 178.83 179.15 1pzj h LYS 62 N 0.00 0.12 -0.29 1.46 1.79 -1.32 0.14 116.57 118.46 1pzj h LYS 62 Ca -0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1pzj h LYS 62 Cb 0.85 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1pzj h LYS 62 CO 0.01 0.09 0.00 0.87 -1.08 0.00 0.00 179.45 179.34 1pzj h LYS 63 N 0.11 0.44 -0.09 3.15 1.57 -1.76 -2.58 116.57 117.42 1pzj h LYS 63 Ca 0.03 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1pzj h LYS 63 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1pzj h LYS 63 CO -0.01 0.47 -0.62 0.00 -0.57 0.00 0.00 179.45 178.72 1pzj h ALA 64 N 1.59 0.77 -0.28 3.86 0.00 -1.49 -0.75 119.26 122.96 1pzj h ALA 64 Ca 0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1pzj h ALA 64 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pzj h ALA 64 CO 0.01 0.73 0.14 0.82 0.00 0.00 0.00 179.25 180.95 1pzj h ILE 65 N 0.23 1.14 -0.57 0.00 2.04 -0.50 -0.48 117.51 119.38 1pzj h ILE 65 Ca -0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1pzj h ILE 65 Cb 1.15 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1pzj h ILE 65 CO 0.10 0.15 0.37 -0.33 0.00 0.00 0.00 178.15 178.43 1pzj h GLU 66 N 0.32 0.77 -0.62 2.37 4.39 -1.29 -2.48 114.58 118.04 1pzj h GLU 66 Ca 0.10 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1pzj h GLU 66 Cb 0.11 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 1pzj h GLU 66 CO -0.01 0.53 0.30 -0.09 -1.16 0.00 0.00 179.01 178.58 1pzj h ARG 67 N 0.78 0.54 -0.67 2.33 2.43 -0.97 -2.07 114.38 116.74 1pzj h ARG 67 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pzj h ARG 67 Cb -0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1pzj h ARG 67 CO -0.04 0.36 0.43 1.98 -1.51 0.00 0.00 179.97 181.19 1pzj h MET 68 N 0.55 0.89 -0.73 0.20 4.05 -0.71 0.80 114.93 119.98 1pzj h MET 68 Ca 0.29 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1pzj h MET 68 Cb 0.26 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1pzj h MET 68 CO -0.22 0.60 0.31 0.87 0.23 0.00 0.00 176.91 178.70 1pzj h LYS 69 N 0.91 1.06 -0.47 0.39 1.57 -1.19 0.07 116.57 118.91 1pzj h LYS 69 Ca 0.24 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1pzj h LYS 69 Cb -0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1pzj h LYS 69 CO -0.05 0.85 0.29 -0.44 -0.57 0.00 0.00 179.45 179.53 1pzj h ASP 70 N 1.05 0.56 -0.47 0.86 3.32 -0.63 -2.01 116.42 119.09 1pzj h ASP 70 Ca 0.25 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1pzj h ASP 70 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1pzj h ASP 70 CO -0.02 0.43 0.22 0.74 -1.72 0.00 0.00 179.24 178.88 1pzj h THR 71 N 0.63 1.19 -0.58 0.35 2.02 -0.26 -2.27 112.91 113.99 1pzj h THR 71 Ca 0.17 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1pzj h THR 71 Cb -0.03 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1pzj h THR 71 CO -0.03 0.22 0.01 -0.07 0.37 0.00 0.00 175.52 176.01 1pzj h LEU 72 N 0.62 0.97 0.11 2.58 3.38 -0.86 0.68 115.31 122.78 1pzj h LEU 72 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1pzj h LEU 72 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pzj h LEU 72 CO -0.02 1.02 -0.05 -0.09 0.09 0.00 0.00 178.44 179.39 1pzj h ARG 73 N 0.92 -0.14 -0.13 1.13 2.43 -1.22 -0.18 114.38 117.19 1pzj h ARG 73 Ca 0.17 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1pzj h ARG 73 Cb 0.52 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1pzj h ARG 73 CO 0.03 -0.06 -0.53 0.97 -1.51 0.00 0.00 179.97 178.86 1pzj h ILE 74 N -0.18 1.34 -0.59 1.20 6.09 -1.30 -0.79 117.51 123.28 1pzj h ILE 74 Ca -0.01 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.68 1pzj h ILE 74 Cb 0.14 1.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.24 1pzj h ILE 74 CO 0.02 0.54 0.38 0.00 -3.07 0.00 0.00 178.15 176.03 1pzj h ALA 75 N 1.15 0.76 -0.02 0.18 0.00 -0.77 -1.06 119.26 119.49 1pzj h ALA 75 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pzj h ALA 75 Cb 1.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pzj h ALA 75 CO 0.09 0.21 0.02 -0.92 0.00 0.00 0.00 179.25 178.64 1pzj h TYR 76 N 0.81 0.03 -0.05 0.00 3.20 -0.68 -1.47 116.97 118.81 1pzj h TYR 76 Ca 0.22 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1pzj h TYR 76 Cb -0.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1pzj h TYR 76 CO -0.03 0.04 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.14 1pzj h LEU 77 N 0.01 0.09 -0.88 2.82 3.38 -0.94 -2.56 115.31 117.22 1pzj h LEU 77 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pzj h LEU 77 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pzj h LEU 77 CO -0.00 0.41 -0.12 0.35 0.09 0.00 0.00 178.44 179.17 1pzj n THR 78 N -4.13 0.00 -3.07 0.22 -2.24 -0.42 -4.95 114.28 99.69 1pzj n THR 78 Ca -0.02 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 1pzj n THR 78 Cb 0.38 0.60 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1pzj n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pzj n GLU 79 N -0.03 -4.96 -2.06 -0.78 1.02 -0.64 -4.94 120.64 108.25 1pzj n GLU 79 Ca 0.15 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.76 1pzj n GLU 79 Cb 0.38 -5.75 -0.03 0.00 -0.02 0.00 0.00 31.44 26.03 1pzj n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pzj s ALA 80 N -3.17 3.63 -0.00 0.62 0.00 -0.67 -4.76 121.76 117.41 1pzj s ALA 80 Ca 0.32 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1pzj s ALA 80 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1pzj s ALA 80 CO 0.40 -0.69 1.49 0.21 0.00 0.00 0.00 175.76 177.17 1pzj s LYS 81 N 0.13 4.25 -0.15 0.00 2.20 -1.26 -4.23 119.74 120.68 1pzj s LYS 81 Ca 0.61 2.07 -0.23 0.00 -0.36 0.00 0.00 55.97 58.06 1pzj s LYS 81 Cb -0.40 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1pzj s LYS 81 CO 0.38 -0.66 0.72 0.08 -0.36 0.00 0.00 175.35 175.52 1pzj s VAL 82 N 2.75 4.98 -0.00 4.02 1.01 0.08 -3.69 120.40 129.54 1pzj s VAL 82 Ca 0.67 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 64.07 1pzj s VAL 82 Cb -0.33 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1pzj s VAL 82 CO 0.28 0.12 0.01 -0.08 0.00 0.00 0.00 175.10 175.42 1pzj h GLU 83 N 7.21 -0.00 -5.17 2.72 4.81 -1.19 0.03 114.58 122.99 1pzj h GLU 83 Ca -0.33 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.53 1pzj h GLU 83 Cb 1.15 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 1pzj h GLU 83 CO 0.79 -0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.47 1pzj s LYS 84 N -1.03 0.91 -0.06 1.92 1.02 -1.14 -0.87 119.74 120.49 1pzj s LYS 84 Ca -0.00 -1.16 0.06 0.00 0.02 0.00 0.00 55.97 54.88 1pzj s LYS 84 Cb 0.00 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1pzj s LYS 84 CO 0.00 0.13 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.81 1pzj s LEU 85 N -2.37 2.04 -0.18 3.17 1.43 -0.46 -0.86 118.68 121.45 1pzj s LEU 85 Ca 0.06 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1pzj s LEU 85 Cb -0.04 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1pzj s LEU 85 CO 0.01 0.23 0.41 0.00 0.23 0.00 0.00 176.35 177.23 1pzj s VAL 87 N 1.09 0.97 -0.22 0.00 -7.23 -0.44 -0.44 120.40 114.14 1pzj s VAL 87 Ca 0.20 -1.64 -0.26 0.00 -1.81 0.00 0.00 61.98 58.47 1pzj s VAL 87 Cb -0.15 -1.37 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 1pzj s VAL 87 CO 0.08 -0.55 0.90 0.26 -0.31 0.00 0.00 175.10 175.49 1pzj s TRP 88 N -2.41 3.35 -0.34 2.82 0.51 0.39 -1.40 118.94 121.86 1pzj s TRP 88 Ca 0.06 1.29 0.10 0.00 -2.12 0.00 0.00 56.10 55.42 1pzj s TRP 88 Cb -0.03 -3.12 0.72 0.00 -0.81 0.00 0.00 33.47 30.23 1pzj s TRP 88 CO 0.00 -0.38 1.74 0.27 -0.51 0.00 0.00 176.95 178.07 1pzj n ASN 89 N 5.89 4.82 -1.62 2.95 0.23 -0.26 -1.74 115.26 125.52 1pzj n ASN 89 Ca 0.07 -3.10 0.08 0.00 -0.53 0.00 0.00 54.58 51.10 1pzj n ASN 89 Cb 0.47 -0.73 0.37 0.00 -2.08 0.00 0.00 39.78 37.81 1pzj n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pzj n ASN 90 N 0.00 5.22 -4.14 0.53 6.94 -1.25 -4.95 115.26 117.62 1pzj n ASN 90 Ca 0.37 -2.92 -0.11 0.00 -0.02 0.00 0.00 54.58 51.90 1pzj n ASN 90 Cb 1.31 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.98 1pzj n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pzj s LYS 91 N -2.71 0.74 -0.08 -3.83 -0.14 -1.25 -5.09 119.74 107.37 1pzj s LYS 91 Ca 0.51 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1pzj s LYS 91 Cb 0.39 -0.24 0.02 0.00 -1.68 0.00 0.00 37.83 36.33 1pzj s LYS 91 CO 0.15 0.00 -0.07 0.99 -0.76 0.00 0.00 175.35 175.66 1pzj s THR 92 N -2.91 0.86 0.96 2.17 2.01 -1.26 -2.93 115.64 114.54 1pzj s THR 92 Ca 0.05 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 1pzj s THR 92 Cb 0.00 -0.87 0.14 0.00 0.01 0.00 0.00 72.50 71.78 1pzj s THR 92 CO -0.03 0.32 0.93 -2.65 -0.69 0.00 0.00 174.62 172.50 1pzj n PRO 93 N 4.52 -0.71 -1.62 4.92 -0.02 -1.26 -5.04 135.00 135.79 1pzj n PRO 93 Ca -0.17 -0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 60.73 1pzj n PRO 93 Cb 0.51 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1pzj n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pzj n HIS 94 N -4.21 1.55 -3.72 6.00 8.25 -1.15 -4.49 115.22 117.44 1pzj n HIS 94 Ca 0.09 0.64 -0.36 0.00 -0.26 0.00 0.00 57.72 57.84 1pzj n HIS 94 Cb 0.53 -2.29 -0.09 0.00 1.12 0.00 0.00 29.99 29.25 1pzj n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pzj s ALA 95 N -1.10 3.59 0.02 -1.41 0.00 -0.71 -1.48 121.76 120.68 1pzj s ALA 95 Ca 0.58 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 1pzj s ALA 95 Cb -0.64 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 1pzj s ALA 95 CO 0.60 -0.07 1.40 0.42 0.00 0.00 0.00 175.76 178.11 1pzj s ILE 96 N 0.83 3.63 -0.21 0.00 1.01 0.16 -0.46 121.20 126.15 1pzj s ILE 96 Ca 0.07 1.06 0.09 0.00 0.00 0.00 0.00 60.65 61.87 1pzj s ILE 96 Cb -0.13 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 1pzj s ILE 96 CO 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 174.94 174.91 1pzj n ALA 97 N 5.09 1.53 -3.30 9.38 0.00 0.42 -4.83 120.51 128.80 1pzj n ALA 97 Ca 0.13 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 1pzj n ALA 97 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1pzj n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pzj s ALA 98 N -2.45 -1.39 -0.00 0.00 0.00 -0.81 -4.97 121.76 112.13 1pzj s ALA 98 Ca -0.20 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1pzj s ALA 98 Cb 0.07 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1pzj s ALA 98 CO 0.64 -0.67 -0.08 -1.50 0.00 0.00 0.00 175.76 174.16 1pzj s ILE 99 N -3.39 0.59 0.05 0.00 2.07 -1.26 -1.07 121.20 118.19 1pzj s ILE 99 Ca -0.00 -0.38 0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1pzj s ILE 99 Cb -0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1pzj s ILE 99 CO -0.09 0.12 -0.26 -0.94 -1.91 0.00 0.00 174.94 171.86 1pzj s SER 100 N -0.29 3.19 -0.05 4.50 1.04 -0.04 -5.01 113.70 117.05 1pzj s SER 100 Ca 0.02 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1pzj s SER 100 Cb -0.03 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1pzj s SER 100 CO -0.00 0.25 -0.14 -0.04 0.98 0.00 0.00 173.24 174.29 1pzj s MET 101 N -1.30 1.68 0.00 4.02 -1.94 -1.26 -0.75 119.30 119.76 1pzj s MET 101 Ca 0.12 -0.50 -0.20 0.00 -1.71 0.00 0.00 55.69 53.40 1pzj s MET 101 Cb -0.10 -1.43 0.04 0.00 2.01 0.00 0.00 34.83 35.35 1pzj s MET 101 CO 0.02 0.13 0.44 0.00 -0.01 0.00 0.00 175.02 175.61 1pzj s ALA 102 N 0.33 -1.11 0.00 3.03 0.00 -1.24 -4.88 121.76 117.88 1pzj s ALA 102 Ca -0.09 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1pzj s ALA 102 Cb -0.13 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1pzj s ALA 102 CO 0.03 -0.37 0.00 0.09 0.00 0.00 0.00 175.76 175.51