#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 3.02 0.21 -2.82 0.04 -1.26 -4.94 135.00 129.25 1pzj s PRO 2 Ca 0.00 1.90 0.23 0.00 0.04 0.00 0.00 61.00 63.17 1pzj s PRO 2 Cb 0.00 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.71 1pzj s PRO 2 CO 0.00 -1.19 1.23 1.96 0.04 0.00 0.00 177.00 179.04 1pzj h GLN 3 N 1.03 0.00 -3.10 4.56 1.08 -2.02 -3.48 115.11 113.19 1pzj h GLN 3 Ca -0.50 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.73 1pzj h GLN 3 Cb 1.30 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.66 1pzj h GLN 3 CO 0.56 0.00 0.17 0.54 -0.95 0.00 0.00 178.83 179.15 1pzj s ASN 4 N -5.09 -0.28 0.37 1.46 2.20 -1.26 -5.05 114.94 107.28 1pzj s ASN 4 Ca 0.03 -0.56 0.08 0.00 -0.94 0.00 0.00 52.86 51.47 1pzj s ASN 4 Cb 0.10 0.69 0.71 0.00 -2.00 0.00 0.00 41.25 40.75 1pzj s ASN 4 CO 0.75 -1.26 1.90 -0.29 -2.94 0.00 0.00 177.10 175.26 1pzj h ILE 5 N 2.04 1.19 -0.33 0.54 2.10 -1.96 -1.85 117.51 119.24 1pzj h ILE 5 Ca -0.22 -0.80 -0.07 0.00 1.08 0.00 0.00 64.86 64.85 1pzj h ILE 5 Cb 1.26 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.11 1pzj h ILE 5 CO 0.27 0.26 -0.07 0.74 -1.08 0.00 0.00 178.15 178.28 1pzj h THR 6 N 0.32 1.28 -0.39 2.19 2.02 -1.99 -0.71 112.91 115.62 1pzj h THR 6 Ca 0.07 -1.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1pzj h THR 6 Cb 0.37 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1pzj h THR 6 CO 0.02 0.36 -0.20 0.44 0.37 0.00 0.00 175.52 176.51 1pzj h ASP 7 N 0.42 0.78 -0.15 4.18 3.32 -1.93 -2.43 116.42 120.59 1pzj h ASP 7 Ca 0.09 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1pzj h ASP 7 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1pzj h ASP 7 CO 0.03 0.96 0.08 0.25 -1.72 0.00 0.00 179.24 178.85 1pzj h LEU 8 N 0.67 0.20 -1.17 1.55 6.46 -1.21 -2.84 115.31 118.97 1pzj h LEU 8 Ca 0.10 -0.09 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1pzj h LEU 8 Cb 0.70 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.52 1pzj h LEU 8 CO 0.05 0.23 0.58 0.00 -0.62 0.00 0.00 178.44 178.69 1pzj n ALA 10 N -2.40 1.60 1.03 0.00 0.00 -0.93 -2.26 120.51 117.55 1pzj n ALA 10 Ca 0.14 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1pzj n ALA 10 Cb 0.25 -1.21 0.61 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.49 0.10 -4.54 0.00 1.02 -0.59 -4.87 120.64 110.27 1pzj n GLU 11 Ca 0.03 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 1pzj n GLU 11 Cb 0.15 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.89 2.36 0.54 -0.32 1.51 -0.96 -5.13 117.35 112.45 1pzj s TYR 12 Ca 0.16 -0.37 -0.16 0.00 -1.01 0.00 0.00 57.07 55.70 1pzj s TYR 12 Cb 0.18 -1.31 -0.07 0.00 -0.11 0.00 0.00 41.96 40.65 1pzj s TYR 12 CO 0.48 0.28 1.00 -1.01 -1.11 0.00 0.00 175.55 175.20 1pzj s HIS 13 N -0.99 3.35 -1.27 2.71 3.76 -1.26 -4.21 115.29 117.37 1pzj s HIS 13 Ca 0.14 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.50 1pzj s HIS 13 Cb -0.10 -2.84 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1pzj s HIS 13 CO 0.05 -0.56 0.25 0.09 -0.85 0.00 0.00 174.74 173.72 1pzj n ASN 14 N -1.73 -4.91 -4.44 1.40 5.03 -1.26 -4.96 115.26 104.38 1pzj n ASN 14 Ca 0.07 -0.12 -0.22 0.00 0.87 0.00 0.00 54.58 55.18 1pzj n ASN 14 Cb 0.54 -3.89 -0.10 0.00 -1.02 0.00 0.00 39.78 35.30 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 -2.92 2.04 0.11 3.41 -4.23 -1.26 -0.71 115.64 112.08 1pzj s THR 15 Ca 0.12 -2.26 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 1pzj s THR 15 Cb -0.05 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.50 1pzj s THR 15 CO 0.15 -0.40 0.37 0.00 -0.54 0.00 0.00 174.62 174.20 1pzj s GLN 16 N -3.61 1.00 -0.13 3.99 -2.07 -0.49 -4.88 119.66 113.47 1pzj s GLN 16 Ca 0.28 -0.69 -0.14 0.00 -1.82 0.00 0.00 55.36 52.99 1pzj s GLN 16 Cb -0.01 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 1pzj s GLN 16 CO 0.12 -0.37 0.33 0.42 -1.32 0.00 0.00 175.29 174.46 1pzj s ILE 17 N -3.58 5.27 -0.16 3.63 -1.09 -1.26 -1.30 121.20 122.71 1pzj s ILE 17 Ca 0.02 0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 59.02 1pzj s ILE 17 Cb 0.02 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1pzj s ILE 17 CO -0.10 0.41 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.01 1pzj s HIS 18 N 0.23 3.10 -0.32 3.97 3.76 0.03 -4.99 115.29 121.08 1pzj s HIS 18 Ca 0.19 -0.14 -0.06 0.00 -0.15 0.00 0.00 55.06 54.89 1pzj s HIS 18 Cb -0.14 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1pzj s HIS 18 CO 0.06 0.07 0.09 0.99 -0.85 0.00 0.00 174.74 175.10 1pzj s THR 19 N 0.23 3.85 -0.20 1.30 2.01 -1.26 -1.15 115.64 120.42 1pzj s THR 19 Ca -0.00 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1pzj s THR 19 Cb -0.13 -3.08 -0.11 0.00 0.01 0.00 0.00 72.50 69.19 1pzj s THR 19 CO 0.02 -0.05 -0.22 0.18 -0.69 0.00 0.00 174.62 173.86 1pzj n LEU 20 N 4.84 2.25 -4.15 4.42 7.99 0.22 -5.01 117.00 127.56 1pzj n LEU 20 Ca -0.14 0.07 -0.36 0.00 -0.01 0.00 0.00 56.01 55.58 1pzj n LEU 20 Cb 0.46 -0.66 -0.04 0.00 -0.11 0.00 0.00 43.42 43.08 1pzj n LEU 20 CO 0.31 0.64 -0.32 0.59 -1.51 0.00 0.00 177.39 177.11 1pzj n ASN 21 N -3.50 -1.33 -3.48 -1.43 3.02 -0.06 -4.95 115.26 103.53 1pzj n ASN 21 Ca -0.38 -1.24 -0.14 0.00 -0.03 0.00 0.00 54.58 52.79 1pzj n ASN 21 Cb 0.83 -1.91 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 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 -4.04 -0.57 0.67 6.41 2.15 -0.64 -4.90 116.67 115.75 1pzj s ASP 22 Ca 0.20 0.25 -0.12 0.00 0.43 0.00 0.00 52.55 53.32 1pzj s ASP 22 Cb -0.10 0.56 -0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1pzj s ASP 22 CO 0.97 -0.81 1.06 -1.59 -0.17 0.00 0.00 175.17 174.63 1pzj s LYS 23 N -2.71 3.03 0.17 4.34 -2.85 -1.26 -1.12 119.74 119.35 1pzj s LYS 23 Ca -0.04 1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 55.64 1pzj s LYS 23 Cb -0.01 -2.00 -0.09 0.00 -2.06 0.00 0.00 37.83 33.68 1pzj s LYS 23 CO -0.04 -1.03 1.36 0.42 0.10 0.00 0.00 175.35 176.17 1pzj s ILE 24 N -2.91 3.18 -0.01 3.79 1.01 -1.26 -4.68 121.20 120.32 1pzj s ILE 24 Ca 0.59 0.91 -0.18 0.00 0.00 0.00 0.00 60.65 61.98 1pzj s ILE 24 Cb -0.14 -3.58 -0.33 0.00 0.01 0.00 0.00 42.46 38.41 1pzj s ILE 24 CO 0.51 0.11 0.91 0.15 0.00 0.00 0.00 174.94 176.61 1pzj h PHE 25 N 5.99 0.79 -3.63 3.97 3.57 -1.15 -3.48 116.94 122.99 1pzj h PHE 25 Ca -0.44 -0.57 -0.15 0.00 3.53 0.00 0.00 57.97 60.34 1pzj h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 1pzj h PHE 25 CO 0.64 1.49 -0.53 -1.54 -2.23 0.00 0.00 178.31 176.14 1pzj s SER 26 N -7.33 0.09 -0.09 0.41 1.04 -0.97 -4.98 113.70 101.87 1pzj s SER 26 Ca -0.12 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1pzj s SER 26 Cb 0.03 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1pzj s SER 26 CO 0.89 -0.38 -0.06 -0.47 0.98 0.00 0.00 173.24 174.20 1pzj s TYR 27 N -1.60 1.24 -0.02 5.02 5.04 -1.26 -1.84 117.35 123.93 1pzj s TYR 27 Ca -0.13 -0.55 0.06 0.00 -2.44 0.00 0.00 57.07 54.01 1pzj s TYR 27 Cb -0.07 -1.08 -0.02 0.00 0.35 0.00 0.00 41.96 41.15 1pzj s TYR 27 CO 0.00 -0.42 -0.21 0.99 -1.34 0.00 0.00 175.55 174.57 1pzj s THR 28 N 1.59 1.67 -0.01 4.34 2.01 0.36 -5.01 115.64 120.59 1pzj s THR 28 Ca 0.02 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1pzj s THR 28 Cb -0.13 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.99 1pzj s THR 28 CO -0.06 0.47 0.09 -1.83 -0.69 0.00 0.00 174.62 172.61 1pzj s GLU 29 N -0.47 0.33 -0.01 4.92 -1.05 -1.26 -0.69 118.70 120.47 1pzj s GLU 29 Ca 0.07 -0.27 0.02 0.00 -0.15 0.00 0.00 54.97 54.65 1pzj s GLU 29 Cb -0.08 0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 1pzj s GLU 29 CO -0.01 -0.07 -0.08 0.45 0.95 0.00 0.00 175.26 176.51 1pzj s SER 30 N -0.94 0.90 0.00 0.83 0.15 -0.68 -5.01 113.70 108.95 1pzj s SER 30 Ca -0.10 -0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.52 1pzj s SER 30 Cb -0.06 -0.11 0.20 0.00 -1.71 0.00 0.00 66.02 64.34 1pzj s SER 30 CO 0.01 0.09 1.07 0.00 1.20 0.00 0.00 173.24 175.60 1pzj n LEU 31 N 2.92 2.46 -4.77 3.45 -0.00 -1.26 -2.74 117.00 117.06 1pzj n LEU 31 Ca -0.14 -1.53 -0.40 0.00 -0.00 0.00 0.00 56.01 53.95 1pzj n LEU 31 Cb 0.57 -0.12 -0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1pzj n LEU 31 CO 0.25 0.56 0.99 0.00 -0.00 0.00 0.00 177.39 179.19 1pzj s ALA 32 N -0.97 3.31 0.24 1.47 0.00 -1.26 -4.80 121.76 119.74 1pzj s ALA 32 Ca 0.19 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1pzj s ALA 32 Cb 0.11 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1pzj s ALA 32 CO 0.15 -0.86 1.62 0.20 0.00 0.00 0.00 175.76 176.87 1pzj s GLY 33 N -0.64 1.71 0.00 0.00 0.00 -1.26 -1.14 107.32 105.99 1pzj s GLY 33 Ca 0.56 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1pzj s GLY 33 CO 0.51 2.66 0.00 0.28 0.00 0.00 0.00 173.10 176.55 1pzj n LYS 34 N 3.14 -0.44 -2.62 2.90 5.02 -1.26 -4.82 118.16 120.08 1pzj n LYS 34 Ca 0.12 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1pzj n LYS 34 Cb 0.37 -3.63 0.04 0.00 -0.02 0.00 0.00 35.03 31.78 1pzj n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pzj n ARG 35 N -1.62 2.10 -2.62 1.97 5.12 -0.29 -4.96 116.66 116.35 1pzj n ARG 35 Ca 0.00 -3.66 -0.42 0.00 -1.93 0.00 0.00 57.85 51.85 1pzj n ARG 35 Cb 0.11 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.67 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 -3.61 3.59 0.24 5.56 8.01 -1.15 -4.30 118.70 127.06 1pzj s GLU 36 Ca 0.33 -1.24 -0.14 0.00 0.01 0.00 0.00 54.97 53.94 1pzj s GLU 36 Cb 0.37 -5.28 0.00 0.00 -4.31 0.00 0.00 34.13 24.91 1pzj s GLU 36 CO -0.02 -2.13 0.50 0.00 0.01 0.00 0.00 175.26 173.62 1pzj s MET 37 N 4.57 1.55 0.13 1.61 0.23 -1.11 -4.24 119.30 122.04 1pzj s MET 37 Ca 0.44 -1.19 0.09 0.00 -1.03 0.00 0.00 55.69 54.01 1pzj s MET 37 Cb -0.01 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 1pzj s MET 37 CO -0.10 -0.65 -0.23 0.00 -2.03 0.00 0.00 175.02 172.01 1pzj s ALA 38 N -3.99 2.08 -0.05 3.16 0.00 -1.22 -1.69 121.76 120.05 1pzj s ALA 38 Ca 0.20 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1pzj s ALA 38 Cb -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1pzj s ALA 38 CO 0.07 0.41 -0.08 0.42 0.00 0.00 0.00 175.76 176.59 1pzj s ILE 39 N -1.30 0.75 0.14 0.00 1.01 0.13 -1.18 121.20 120.75 1pzj s ILE 39 Ca 0.11 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.60 1pzj s ILE 39 Cb -0.09 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1pzj s ILE 39 CO 0.06 0.26 -0.24 0.27 0.00 0.00 0.00 174.94 175.29 1pzj s ILE 40 N 0.70 2.13 0.19 2.92 -4.36 -0.12 -0.49 121.20 122.17 1pzj s ILE 40 Ca -0.11 -1.79 0.07 0.00 -0.26 0.00 0.00 60.65 58.55 1pzj s ILE 40 Cb -0.14 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 1pzj s ILE 40 CO 0.01 -0.03 -0.12 0.42 0.24 0.00 0.00 174.94 175.46 1pzj s THR 41 N -1.31 1.55 0.35 8.37 -4.23 -0.77 -0.97 115.64 118.64 1pzj s THR 41 Ca 0.14 -2.16 0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1pzj s THR 41 Cb -0.09 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 1pzj s THR 41 CO 0.07 -0.62 0.06 -0.36 -0.54 0.00 0.00 174.62 173.22 1pzj s PHE 42 N -3.09 2.58 0.49 3.99 0.40 -0.46 -0.58 117.98 121.31 1pzj s PHE 42 Ca 0.21 -0.46 0.14 0.00 -0.60 0.00 0.00 56.93 56.22 1pzj s PHE 42 Cb 0.01 -1.60 1.15 0.00 0.51 0.00 0.00 43.02 43.09 1pzj s PHE 42 CO 0.05 0.41 2.11 -0.22 0.70 0.00 0.00 175.22 178.27 1pzj h LYS 43 N 1.71 0.17 0.00 0.44 1.63 -1.90 -0.02 116.57 118.60 1pzj h LYS 43 Ca -0.43 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1pzj h LYS 43 Cb 1.25 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1pzj h LYS 43 CO 0.67 0.11 0.00 0.27 -3.45 0.00 0.00 179.45 177.06 1pzj n ASN 44 N -4.51 0.00 0.00 4.20 6.94 -1.26 -4.87 115.26 115.76 1pzj n ASN 44 Ca 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.21 1pzj n ASN 44 Cb 0.13 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 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 0.00 2.64 3.74 4.83 0.00 -0.02 -5.03 105.19 111.35 1pzj n GLY 45 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1pzj n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzj n ALA 46 N -1.42 2.70 -2.40 4.61 0.00 -1.26 -4.71 120.51 118.04 1pzj n ALA 46 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.54 1pzj n ALA 46 Cb 0.00 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 16.80 1pzj n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pzj s THR 47 N 0.41 1.71 0.02 0.00 2.01 -1.26 -1.36 115.64 117.17 1pzj s THR 47 Ca 0.68 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1pzj s THR 47 Cb -0.49 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1pzj s THR 47 CO 0.43 0.48 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.47 1pzj s PHE 48 N -0.51 0.22 0.22 4.92 0.08 -0.14 -3.90 117.98 118.86 1pzj s PHE 48 Ca 0.08 -0.45 0.11 0.00 0.12 0.00 0.00 56.93 56.80 1pzj s PHE 48 Cb -0.08 -0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 1pzj s PHE 48 CO -0.01 -0.20 -0.22 1.14 -0.10 0.00 0.00 175.22 175.83 1pzj s GLN 49 N -1.38 1.59 -0.35 0.44 -2.07 -0.35 -0.94 119.66 116.59 1pzj s GLN 49 Ca -0.15 -1.58 -0.15 0.00 -1.82 0.00 0.00 55.36 51.66 1pzj s GLN 49 Cb -0.09 -1.84 -0.01 0.00 -1.09 0.00 0.00 33.01 29.98 1pzj s GLN 49 CO -0.01 0.38 0.33 0.08 -1.32 0.00 0.00 175.29 174.76 1pzj s VAL 50 N -1.90 5.20 0.64 3.63 1.01 -0.33 -0.79 120.40 127.86 1pzj s VAL 50 Ca 0.23 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1pzj s VAL 50 Cb -0.07 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1pzj s VAL 50 CO 0.11 -0.10 1.25 -1.61 0.00 0.00 0.00 175.10 174.76 1pzj s GLU 51 N 1.94 2.63 0.33 2.72 2.02 -1.26 -3.42 118.70 123.66 1pzj s GLU 51 Ca 0.10 1.95 -0.29 0.00 0.02 0.00 0.00 54.97 56.75 1pzj s GLU 51 Cb -0.17 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 1pzj s GLU 51 CO 0.11 -1.50 1.50 0.28 0.02 0.00 0.00 175.26 175.68 1pzj n VAL 52 N -1.91 1.56 -1.72 2.63 0.31 -1.26 -4.91 118.33 113.03 1pzj n VAL 52 Ca 0.15 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 1pzj n VAL 52 Cb 0.49 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 1pzj n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pzj n PRO 53 N 1.20 2.57 -3.04 5.55 -0.02 -1.26 -4.96 135.00 135.04 1pzj n PRO 53 Ca 0.05 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1pzj n PRO 53 Cb 0.37 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.14 1pzj n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pzj n GLY 54 N 2.52 2.64 0.28 -1.23 0.00 -1.26 -5.04 105.19 103.10 1pzj n GLY 54 Ca 0.11 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 44.75 1pzj n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pzj h SER 55 N 1.18 0.00 1.48 1.61 4.64 -2.04 -1.28 113.55 119.14 1pzj h SER 55 Ca -0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1pzj h SER 55 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1pzj h SER 55 CO 0.22 0.00 -0.06 0.06 -0.87 0.00 0.00 176.83 176.18 1pzj h GLN 56 N 0.00 0.00 -6.82 4.77 -0.00 -1.97 -3.45 115.11 107.64 1pzj h GLN 56 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.17 1pzj h GLN 56 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.78 1pzj h GLN 56 CO 0.00 0.06 0.26 -1.01 -0.00 0.00 0.00 178.83 178.14 1pzj s HIS 57 N -3.41 3.58 0.32 0.06 3.76 -0.49 -5.08 115.29 114.03 1pzj s HIS 57 Ca 0.04 1.60 0.03 0.00 -0.15 0.00 0.00 55.06 56.58 1pzj s HIS 57 Cb 0.07 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1pzj s HIS 57 CO 0.62 0.18 0.48 0.96 -0.85 0.00 0.00 174.74 176.13 1pzj s ILE 58 N -1.73 4.76 0.27 0.60 -4.36 -1.26 -4.92 121.20 114.55 1pzj s ILE 58 Ca 0.51 -0.78 -0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1pzj s ILE 58 Cb -0.16 -3.70 0.25 0.00 1.25 0.00 0.00 42.46 40.10 1pzj s ILE 58 CO 0.20 -0.35 1.78 0.44 0.24 0.00 0.00 174.94 177.26 1pzj h ASP 59 N 0.88 0.64 0.25 4.36 3.32 -1.98 -0.63 116.42 123.25 1pzj h ASP 59 Ca -0.49 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1pzj h ASP 59 Cb 1.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1pzj h ASP 59 CO 0.59 0.30 0.00 0.77 -1.72 0.00 0.00 179.24 179.17 1pzj h SER 60 N 0.72 0.00 1.63 6.45 4.64 -2.05 -1.42 113.55 123.53 1pzj h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1pzj h SER 60 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1pzj h SER 60 CO -0.33 0.00 -0.21 1.56 -0.87 0.00 0.00 176.83 176.99 1pzj h GLN 61 N 0.00 0.00 -0.10 4.77 4.20 -1.50 -3.39 115.11 119.09 1pzj h GLN 61 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1pzj h GLN 61 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1pzj h GLN 61 CO 0.00 0.00 0.04 0.87 -0.67 0.00 0.00 178.83 179.07 1pzj h LYS 62 N 0.00 0.09 -0.08 1.46 1.57 -1.33 0.19 116.57 118.46 1pzj h LYS 62 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1pzj h LYS 62 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1pzj h LYS 62 CO 0.00 0.06 -0.32 0.87 -0.57 0.00 0.00 179.45 179.49 1pzj h LYS 63 N 0.09 0.16 -0.12 3.15 1.57 -1.77 -2.70 116.57 116.94 1pzj h LYS 63 Ca 0.04 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1pzj h LYS 63 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pzj h LYS 63 CO -0.04 0.47 -0.61 0.00 -0.57 0.00 0.00 179.45 178.70 1pzj h ALA 64 N 1.54 0.72 -0.34 3.86 0.00 -1.56 -0.53 119.26 122.95 1pzj h ALA 64 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1pzj h ALA 64 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pzj h ALA 64 CO 0.05 0.71 0.17 0.82 0.00 0.00 0.00 179.25 181.00 1pzj h ILE 65 N 0.31 1.15 -0.82 0.00 2.04 -0.75 -0.50 117.51 118.94 1pzj h ILE 65 Ca -0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1pzj h ILE 65 Cb 1.14 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1pzj h ILE 65 CO 0.11 0.15 0.37 -0.33 0.00 0.00 0.00 178.15 178.45 1pzj h GLU 66 N 0.41 1.19 -0.77 2.37 4.39 -1.22 -2.54 114.58 118.41 1pzj h GLU 66 Ca 0.12 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1pzj h GLU 66 Cb 0.09 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1pzj h GLU 66 CO -0.02 0.93 0.34 -0.09 -1.16 0.00 0.00 179.01 179.02 1pzj h ARG 67 N 1.17 1.12 -0.69 2.33 2.43 -0.87 -2.15 114.38 117.71 1pzj h ARG 67 Ca 0.28 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1pzj h ARG 67 Cb 0.15 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1pzj h ARG 67 CO -0.03 0.88 0.26 1.98 -1.51 0.00 0.00 179.97 181.55 1pzj h MET 68 N 1.10 1.05 -0.52 0.20 4.05 -0.71 0.34 114.93 120.43 1pzj h MET 68 Ca 0.26 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1pzj h MET 68 Cb 0.15 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1pzj h MET 68 CO -0.03 0.88 0.02 0.87 0.23 0.00 0.00 176.91 178.88 1pzj h LYS 69 N 1.00 0.87 -0.44 0.39 1.57 -1.22 -0.49 116.57 118.25 1pzj h LYS 69 Ca 0.23 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1pzj h LYS 69 Cb 0.23 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1pzj h LYS 69 CO -0.02 0.85 0.26 -0.44 -0.57 0.00 0.00 179.45 179.54 1pzj h ASP 70 N 0.81 0.43 -0.41 0.86 3.32 -0.69 -2.38 116.42 118.35 1pzj h ASP 70 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1pzj h ASP 70 Cb 0.45 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1pzj h ASP 70 CO 0.02 0.30 0.15 0.74 -1.72 0.00 0.00 179.24 178.74 1pzj h THR 71 N 0.53 1.21 -0.85 0.35 2.02 -0.38 -2.36 112.91 113.42 1pzj h THR 71 Ca 0.18 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1pzj h THR 71 Cb 0.01 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1pzj h THR 71 CO -0.08 0.23 0.41 -0.07 0.37 0.00 0.00 175.52 176.39 1pzj h LEU 72 N 0.52 1.11 -0.07 2.58 3.38 -1.01 0.55 115.31 122.37 1pzj h LEU 72 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pzj h LEU 72 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pzj h LEU 72 CO -0.01 0.93 0.02 -0.09 0.09 0.00 0.00 178.44 179.38 1pzj h ARG 73 N 1.21 0.10 -0.16 1.13 2.43 -1.26 -0.19 114.38 117.65 1pzj h ARG 73 Ca 0.29 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1pzj h ARG 73 Cb 0.11 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1pzj h ARG 73 CO -0.04 0.25 -0.49 0.97 -1.51 0.00 0.00 179.97 179.15 1pzj h ILE 74 N -0.07 1.33 -0.24 1.20 2.10 -1.32 -1.21 117.51 119.31 1pzj h ILE 74 Ca 0.02 -1.72 0.01 0.00 1.08 0.00 0.00 64.86 64.25 1pzj h ILE 74 Cb 0.19 1.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.65 1pzj h ILE 74 CO -0.00 0.53 0.14 0.00 -1.08 0.00 0.00 178.15 177.73 1pzj h ALA 75 N 1.14 0.29 -0.20 0.18 0.00 -0.78 -1.21 119.26 118.69 1pzj h ALA 75 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pzj h ALA 75 Cb 0.99 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1pzj h ALA 75 CO 0.09 -0.26 -0.09 -0.92 0.00 0.00 0.00 179.25 178.06 1pzj h TYR 76 N 0.28 -0.22 0.00 0.00 3.20 -0.73 -1.60 116.97 117.89 1pzj h TYR 76 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1pzj h TYR 76 Cb -0.00 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1pzj h TYR 76 CO -0.08 -0.15 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.90 1pzj h LEU 77 N -0.07 0.00 -1.34 2.82 3.38 -1.00 -2.51 115.31 116.58 1pzj h LEU 77 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pzj h LEU 77 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pzj h LEU 77 CO -0.24 0.32 -0.05 0.35 0.09 0.00 0.00 178.44 178.91 1pzj n THR 78 N -3.99 0.00 -2.93 0.22 -2.24 -0.48 -4.96 114.28 99.91 1pzj n THR 78 Ca -0.02 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.20 1pzj n THR 78 Cb 0.38 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.59 -4.15 -2.10 -0.78 1.02 -0.68 -4.94 120.64 109.61 1pzj n GLU 79 Ca 0.16 0.88 -0.41 0.00 -0.02 0.00 0.00 57.16 57.77 1pzj n GLU 79 Cb 0.47 -5.69 -0.03 0.00 -0.02 0.00 0.00 31.44 26.17 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 -3.12 3.58 -0.00 0.62 0.00 -0.75 -4.75 121.76 117.33 1pzj s ALA 80 Ca 0.25 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1pzj s ALA 80 Cb -0.11 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1pzj s ALA 80 CO 0.31 -0.65 1.35 0.21 0.00 0.00 0.00 175.76 176.98 1pzj s LYS 81 N -0.34 4.31 -0.18 0.00 2.20 -1.26 -4.27 119.74 120.20 1pzj s LYS 81 Ca 0.58 1.90 -0.21 0.00 -0.36 0.00 0.00 55.97 57.88 1pzj s LYS 81 Cb -0.39 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1pzj s LYS 81 CO 0.42 -0.52 0.61 0.08 -0.36 0.00 0.00 175.35 175.57 1pzj s VAL 82 N 2.22 5.05 -0.01 4.02 1.01 -0.27 -3.42 120.40 128.99 1pzj s VAL 82 Ca 0.62 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.76 1pzj s VAL 82 Cb -0.30 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1pzj s VAL 82 CO 0.26 0.15 0.07 -0.08 0.00 0.00 0.00 175.10 175.50 1pzj h GLU 83 N 7.34 -0.01 -4.86 2.72 4.81 -1.04 0.13 114.58 123.67 1pzj h GLU 83 Ca -0.33 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.60 1pzj h GLU 83 Cb 1.15 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.36 1pzj h GLU 83 CO 0.77 -0.01 -0.73 0.15 -0.73 0.00 0.00 179.01 178.46 1pzj s LYS 84 N -1.21 0.80 -0.03 1.92 1.02 -1.15 -0.61 119.74 120.48 1pzj s LYS 84 Ca -0.00 -1.13 0.07 0.00 0.02 0.00 0.00 55.97 54.93 1pzj s LYS 84 Cb 0.00 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.85 1pzj s LYS 84 CO 0.00 0.06 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.74 1pzj s LEU 85 N -2.42 2.04 -0.20 3.17 1.43 -0.30 -1.09 118.68 121.31 1pzj s LEU 85 Ca 0.04 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 1pzj s LEU 85 Cb -0.03 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1pzj s LEU 85 CO -0.01 0.27 0.24 0.00 0.23 0.00 0.00 176.35 177.08 1pzj s VAL 87 N 0.83 0.71 -0.11 0.00 -7.23 -0.42 -0.18 120.40 114.00 1pzj s VAL 87 Ca 0.12 -1.26 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 1pzj s VAL 87 Cb -0.13 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1pzj s VAL 87 CO 0.04 -0.41 0.88 0.26 -0.31 0.00 0.00 175.10 175.55 1pzj s TRP 88 N -1.67 3.51 -1.35 2.82 0.51 0.68 -1.40 118.94 122.04 1pzj s TRP 88 Ca -0.05 1.42 0.19 0.00 -2.12 0.00 0.00 56.10 55.54 1pzj s TRP 88 Cb -0.08 -3.04 0.67 0.00 -0.81 0.00 0.00 33.47 30.21 1pzj s TRP 88 CO 0.00 -0.14 1.58 0.27 -0.51 0.00 0.00 176.95 178.14 1pzj n ASN 89 N 4.71 4.39 -1.53 2.95 0.23 0.11 -1.67 115.26 124.46 1pzj n ASN 89 Ca 0.05 -2.30 0.07 0.00 -0.53 0.00 0.00 54.58 51.88 1pzj n ASN 89 Cb 0.50 -0.53 0.33 0.00 -2.08 0.00 0.00 39.78 37.99 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 1.20 4.52 -4.19 0.53 6.94 -1.26 -4.88 115.26 118.12 1pzj n ASN 90 Ca 0.24 -2.53 -0.15 0.00 -0.02 0.00 0.00 54.58 52.12 1pzj n ASN 90 Cb 0.78 -0.58 -0.11 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.05 0.90 -0.07 -3.83 -0.14 -1.25 -5.10 119.74 108.18 1pzj s LYS 91 Ca 0.46 -1.19 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1pzj s LYS 91 Cb 0.31 -0.63 0.02 0.00 -1.68 0.00 0.00 37.83 35.85 1pzj s LYS 91 CO 0.19 0.10 -0.07 0.99 -0.76 0.00 0.00 175.35 175.81 1pzj s THR 92 N -2.39 0.81 0.97 2.17 2.01 -1.26 -2.90 115.64 115.05 1pzj s THR 92 Ca 0.07 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1pzj s THR 92 Cb -0.03 -0.82 0.15 0.00 0.01 0.00 0.00 72.50 71.80 1pzj s THR 92 CO 0.01 0.31 0.95 -2.65 -0.69 0.00 0.00 174.62 172.54 1pzj n PRO 93 N 4.40 -0.77 -1.70 4.92 -0.02 -1.26 -5.05 135.00 135.52 1pzj n PRO 93 Ca -0.18 -0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 60.72 1pzj n PRO 93 Cb 0.51 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 -4.25 2.15 -3.74 6.00 8.25 -1.14 -4.48 115.22 118.00 1pzj n HIS 94 Ca 0.09 0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 57.71 1pzj n HIS 94 Cb 0.53 -2.38 -0.09 0.00 1.12 0.00 0.00 29.99 29.16 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 -1.17 3.58 0.00 -1.41 0.00 -0.67 -1.21 121.76 120.89 1pzj s ALA 95 Ca 0.59 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1pzj s ALA 95 Cb -0.53 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1pzj s ALA 95 CO 0.59 -0.04 1.38 0.42 0.00 0.00 0.00 175.76 178.11 1pzj s ILE 96 N 0.77 3.75 -0.24 0.00 1.01 0.03 -0.23 121.20 126.28 1pzj s ILE 96 Ca 0.07 1.14 0.04 0.00 0.00 0.00 0.00 60.65 61.90 1pzj s ILE 96 Cb -0.13 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.44 1pzj s ILE 96 CO 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 174.94 174.78 1pzj n ALA 97 N 5.25 1.46 -3.24 9.38 0.00 0.75 -4.84 120.51 129.27 1pzj n ALA 97 Ca 0.13 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 1pzj n ALA 97 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.50 -1.26 0.02 0.00 0.00 -0.81 -4.97 121.76 112.24 1pzj s ALA 98 Ca -0.31 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1pzj s ALA 98 Cb 0.08 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1pzj s ALA 98 CO 0.61 -0.58 -0.09 -1.50 0.00 0.00 0.00 175.76 174.21 1pzj s ILE 99 N -2.98 0.69 0.01 0.00 2.07 -1.26 -1.03 121.20 118.70 1pzj s ILE 99 Ca -0.02 -0.65 0.07 0.00 -1.41 0.00 0.00 60.65 58.64 1pzj s ILE 99 Cb -0.00 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 1pzj s ILE 99 CO -0.06 -0.00 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.81 1pzj s SER 100 N -0.72 2.56 -0.08 4.50 1.04 -0.25 -5.00 113.70 115.75 1pzj s SER 100 Ca -0.00 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1pzj s SER 100 Cb -0.06 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1pzj s SER 100 CO 0.00 0.22 -0.18 -0.04 0.98 0.00 0.00 173.24 174.22 1pzj s MET 101 N -0.85 2.30 0.03 4.02 -1.94 -1.26 -0.50 119.30 121.10 1pzj s MET 101 Ca 0.08 -0.65 -0.22 0.00 -1.71 0.00 0.00 55.69 53.20 1pzj s MET 101 Cb -0.09 -1.82 0.05 0.00 2.01 0.00 0.00 34.83 34.98 1pzj s MET 101 CO 0.01 0.13 0.49 0.00 -0.01 0.00 0.00 175.02 175.64 1pzj s ALA 102 N 0.41 -1.25 -2.00 3.03 0.00 -1.22 -4.88 121.76 115.85 1pzj s ALA 102 Ca -0.14 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1pzj s ALA 102 Cb -0.16 0.31 0.43 0.00 0.00 0.00 0.00 23.12 23.70 1pzj s ALA 102 CO 0.06 -0.46 0.89 0.27 0.00 0.00 0.00 175.76 176.52