#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzk s PRO 2 N 0.00 2.98 0.23 -2.82 0.04 -1.26 -4.94 135.00 129.22 1pzk s PRO 2 Ca 0.00 1.84 0.23 0.00 0.04 0.00 0.00 61.00 63.11 1pzk s PRO 2 Cb 0.00 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.81 1pzk s PRO 2 CO 0.00 -1.20 1.27 1.96 0.04 0.00 0.00 177.00 179.07 1pzk h GLN 3 N 0.91 0.00 -3.09 4.56 1.08 -2.02 -3.48 115.11 113.07 1pzk h GLN 3 Ca -0.50 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 56.74 1pzk h GLN 3 Cb 1.30 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.68 1pzk h GLN 3 CO 0.55 0.00 0.19 0.54 -0.95 0.00 0.00 178.83 179.16 1pzk s ASN 4 N -5.17 -0.22 0.33 1.46 2.20 -1.26 -5.05 114.94 107.23 1pzk s ASN 4 Ca 0.03 -0.69 0.05 0.00 -0.94 0.00 0.00 52.86 51.31 1pzk s ASN 4 Cb 0.10 0.72 0.58 0.00 -2.00 0.00 0.00 41.25 40.65 1pzk s ASN 4 CO 0.74 -1.35 1.85 -0.29 -2.94 0.00 0.00 177.10 175.11 1pzk h ILE 5 N 2.03 1.21 -0.34 0.54 2.10 -1.96 -1.67 117.51 119.42 1pzk h ILE 5 Ca -0.21 -0.88 -0.07 0.00 1.08 0.00 0.00 64.86 64.79 1pzk h ILE 5 Cb 1.25 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 1pzk h ILE 5 CO 0.26 0.29 -0.05 0.74 -1.08 0.00 0.00 178.15 178.31 1pzk h THR 6 N 0.46 1.27 -0.59 2.19 2.02 -1.99 -0.27 112.91 116.01 1pzk h THR 6 Ca 0.09 -1.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.11 1pzk h THR 6 Cb 0.40 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1pzk h THR 6 CO 0.02 0.35 0.01 0.44 0.37 0.00 0.00 175.52 176.71 1pzk h ASP 7 N 0.44 1.01 -0.35 4.18 3.32 -1.95 -2.38 116.42 120.69 1pzk h ASP 7 Ca 0.09 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1pzk h ASP 7 Cb 0.53 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1pzk h ASP 7 CO 0.03 1.07 0.18 0.25 -1.72 0.00 0.00 179.24 179.05 1pzk h LEU 8 N 0.92 0.28 -1.42 1.55 6.46 -1.16 -2.82 115.31 119.12 1pzk h LEU 8 Ca 0.17 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1pzk h LEU 8 Cb 0.54 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1pzk h LEU 8 CO 0.03 0.21 0.32 0.00 -0.62 0.00 0.00 178.44 178.38 1pzk n ALA 10 N -2.46 1.76 1.01 0.00 0.00 -0.92 -2.28 120.51 117.63 1pzk n ALA 10 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1pzk n ALA 10 Cb 0.07 -1.29 0.59 0.00 0.00 0.00 0.00 19.45 18.82 1pzk n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pzk n GLU 11 N -1.61 0.12 -4.49 0.00 1.02 -0.57 -4.86 120.64 110.26 1pzk n GLU 11 Ca 0.04 0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.93 1pzk n GLU 11 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 1pzk n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pzk s TYR 12 N -2.86 2.42 0.62 -0.32 1.51 -0.97 -5.13 117.35 112.62 1pzk s TYR 12 Ca 0.17 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 55.77 1pzk s TYR 12 Cb 0.17 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1pzk s TYR 12 CO 0.45 0.31 1.04 -1.01 -1.11 0.00 0.00 175.55 175.22 1pzk s HIS 13 N -1.02 3.29 -1.57 2.71 3.76 -1.26 -4.25 115.29 116.94 1pzk s HIS 13 Ca 0.15 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.43 1pzk s HIS 13 Cb -0.10 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1pzk s HIS 13 CO 0.07 -0.88 0.56 0.09 -0.85 0.00 0.00 174.74 173.72 1pzk n ASN 14 N -2.47 -6.11 -4.38 1.40 5.03 -1.26 -4.96 115.26 102.51 1pzk n ASN 14 Ca 0.07 -0.26 -0.21 0.00 0.87 0.00 0.00 54.58 55.05 1pzk n ASN 14 Cb 0.54 -4.94 -0.10 0.00 -1.02 0.00 0.00 39.78 34.25 1pzk n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pzk s THR 15 N -3.17 2.00 0.10 3.41 -4.23 -1.26 -0.72 115.64 111.76 1pzk s THR 15 Ca 0.28 -2.19 -0.13 0.00 -1.18 0.00 0.00 61.69 58.47 1pzk s THR 15 Cb -0.12 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1pzk s THR 15 CO 0.34 -0.45 0.30 0.00 -0.54 0.00 0.00 174.62 174.27 1pzk s GLN 16 N -3.35 0.93 -0.14 3.99 -2.07 -0.62 -4.88 119.66 113.52 1pzk s GLN 16 Ca 0.23 -0.78 -0.15 0.00 -1.82 0.00 0.00 55.36 52.84 1pzk s GLN 16 Cb -0.03 0.40 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 1pzk s GLN 16 CO 0.09 -0.33 0.36 0.42 -1.32 0.00 0.00 175.29 174.51 1pzk s ILE 17 N -3.61 5.26 -0.17 3.63 -1.09 -1.26 -1.36 121.20 122.60 1pzk s ILE 17 Ca 0.02 0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1pzk s ILE 17 Cb 0.03 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1pzk s ILE 17 CO -0.10 0.38 0.01 -1.00 -1.23 0.00 0.00 174.94 172.99 1pzk s HIS 18 N 0.44 3.12 -0.34 3.97 3.76 -0.10 -4.99 115.29 121.16 1pzk s HIS 18 Ca 0.20 -0.14 -0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1pzk s HIS 18 Cb -0.14 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.57 1pzk s HIS 18 CO 0.06 0.05 0.14 0.99 -0.85 0.00 0.00 174.74 175.13 1pzk s THR 19 N 0.37 4.10 -0.22 1.30 2.01 -1.26 -1.15 115.64 120.78 1pzk s THR 19 Ca -0.01 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1pzk s THR 19 Cb -0.13 -3.27 -0.12 0.00 0.01 0.00 0.00 72.50 68.98 1pzk s THR 19 CO 0.02 -0.15 -0.24 0.18 -0.69 0.00 0.00 174.62 173.74 1pzk n LEU 20 N 4.89 2.39 -4.19 4.42 7.99 0.11 -5.00 117.00 127.61 1pzk n LEU 20 Ca -0.13 0.06 -0.35 0.00 -0.01 0.00 0.00 56.01 55.59 1pzk n LEU 20 Cb 0.46 -0.72 -0.05 0.00 -0.11 0.00 0.00 43.42 42.99 1pzk n LEU 20 CO 0.33 0.70 -0.35 0.59 -1.51 0.00 0.00 177.39 177.15 1pzk n ASN 21 N -3.53 -0.83 -3.50 -1.43 3.02 -0.02 -4.94 115.26 104.04 1pzk n ASN 21 Ca -0.42 -1.24 -0.15 0.00 -0.03 0.00 0.00 54.58 52.74 1pzk n ASN 21 Cb 0.87 -1.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 1pzk n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pzk s ASP 22 N -4.12 -0.57 0.74 6.41 2.15 -0.64 -4.91 116.67 115.73 1pzk s ASP 22 Ca 0.16 0.32 -0.11 0.00 0.43 0.00 0.00 52.55 53.35 1pzk s ASP 22 Cb -0.08 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1pzk s ASP 22 CO 0.97 -0.77 1.08 -1.59 -0.17 0.00 0.00 175.17 174.69 1pzk s LYS 23 N -2.45 2.59 0.15 4.34 -2.85 -1.26 -1.12 119.74 119.13 1pzk s LYS 23 Ca -0.05 1.03 -0.31 0.00 -1.00 0.00 0.00 55.97 55.65 1pzk s LYS 23 Cb -0.01 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.74 1pzk s LYS 23 CO -0.01 -1.37 1.32 0.42 0.10 0.00 0.00 175.35 175.80 1pzk s ILE 24 N -2.99 3.38 -0.04 3.79 1.01 -1.26 -4.70 121.20 120.39 1pzk s ILE 24 Ca 0.60 1.06 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 1pzk s ILE 24 Cb -0.15 -3.68 -0.31 0.00 0.01 0.00 0.00 42.46 38.32 1pzk s ILE 24 CO 0.55 0.12 0.78 0.15 0.00 0.00 0.00 174.94 176.54 1pzk h PHE 25 N 6.09 0.69 -3.61 3.97 3.57 -1.10 -3.48 116.94 123.07 1pzk h PHE 25 Ca -0.43 -0.50 -0.16 0.00 3.53 0.00 0.00 57.97 60.41 1pzk h PHE 25 Cb 1.21 -0.03 -0.22 0.00 2.79 0.00 0.00 35.95 39.71 1pzk h PHE 25 CO 0.64 1.53 -0.56 -1.54 -2.23 0.00 0.00 178.31 176.16 1pzk s SER 26 N -7.24 0.05 -0.08 0.41 1.04 -0.99 -4.97 113.70 101.92 1pzk s SER 26 Ca -0.15 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1pzk s SER 26 Cb 0.04 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1pzk s SER 26 CO 0.85 -0.29 -0.12 -0.47 0.98 0.00 0.00 173.24 174.19 1pzk s TYR 27 N -1.13 1.56 -0.03 5.02 5.04 -1.26 -1.71 117.35 124.83 1pzk s TYR 27 Ca -0.12 -0.65 0.04 0.00 -2.44 0.00 0.00 57.07 53.90 1pzk s TYR 27 Cb -0.07 -1.17 -0.00 0.00 0.35 0.00 0.00 41.96 41.07 1pzk s TYR 27 CO 0.01 -0.36 -0.16 0.99 -1.34 0.00 0.00 175.55 174.69 1pzk s THR 28 N 0.92 1.28 0.02 4.34 2.01 0.31 -5.01 115.64 119.51 1pzk s THR 28 Ca -0.09 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1pzk s THR 28 Cb -0.15 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1pzk s THR 28 CO 0.00 0.37 -0.03 -1.83 -0.69 0.00 0.00 174.62 172.44 1pzk s GLU 29 N -0.06 0.29 -0.01 4.92 -1.05 -1.26 -0.66 118.70 120.88 1pzk s GLU 29 Ca -0.01 -0.51 0.04 0.00 -0.15 0.00 0.00 54.97 54.34 1pzk s GLU 29 Cb -0.09 0.01 -0.01 0.00 -0.44 0.00 0.00 34.13 33.60 1pzk s GLU 29 CO 0.01 -0.02 -0.13 0.45 0.95 0.00 0.00 175.26 176.52 1pzk s SER 30 N -1.18 1.50 0.00 0.83 0.15 -0.61 -5.01 113.70 109.38 1pzk s SER 30 Ca -0.12 -0.24 0.13 0.00 0.70 0.00 0.00 55.95 56.42 1pzk s SER 30 Cb -0.08 -0.16 0.24 0.00 -1.71 0.00 0.00 66.02 64.30 1pzk s SER 30 CO -0.01 0.15 1.12 0.00 1.20 0.00 0.00 173.24 175.70 1pzk n LEU 31 N 2.72 2.61 -4.77 3.45 -0.00 -1.26 -2.78 117.00 116.98 1pzk n LEU 31 Ca -0.14 -1.53 -0.40 0.00 -0.00 0.00 0.00 56.01 53.95 1pzk n LEU 31 Cb 0.56 -0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1pzk n LEU 31 CO 0.24 0.59 0.93 0.00 -0.00 0.00 0.00 177.39 179.16 1pzk s ALA 32 N -1.04 3.30 0.20 1.47 0.00 -1.26 -4.81 121.76 119.62 1pzk s ALA 32 Ca 0.21 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 53.03 1pzk s ALA 32 Cb 0.13 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1pzk s ALA 32 CO 0.17 -0.70 1.71 0.20 0.00 0.00 0.00 175.76 177.15 1pzk s GLY 33 N -0.76 1.25 0.00 0.00 0.00 -1.26 -0.87 107.32 105.67 1pzk s GLY 33 Ca 0.55 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.83 1pzk s GLY 33 CO 0.47 2.87 0.00 0.28 0.00 0.00 0.00 173.10 176.72 1pzk n LYS 34 N 4.08 -0.17 -2.62 2.90 5.02 -1.26 -4.84 118.16 121.27 1pzk n LYS 34 Ca 0.16 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 1pzk n LYS 34 Cb 0.36 -3.26 0.03 0.00 -0.02 0.00 0.00 35.03 32.14 1pzk n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pzk n ARG 35 N -1.93 2.06 -2.67 1.97 5.12 -0.05 -4.97 116.66 116.19 1pzk n ARG 35 Ca 0.00 -3.65 -0.42 0.00 -1.93 0.00 0.00 57.85 51.85 1pzk n ARG 35 Cb 0.04 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 29.63 1pzk n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pzk s GLU 36 N -3.56 3.50 0.24 5.56 8.01 -1.16 -4.31 118.70 126.99 1pzk s GLU 36 Ca 0.33 -1.13 -0.17 0.00 0.01 0.00 0.00 54.97 54.02 1pzk s GLU 36 Cb 0.38 -5.01 0.01 0.00 -4.31 0.00 0.00 34.13 25.21 1pzk s GLU 36 CO -0.02 -2.07 0.58 0.00 0.01 0.00 0.00 175.26 173.76 1pzk s MET 37 N 4.48 1.59 0.14 1.61 0.23 -1.12 -4.20 119.30 122.03 1pzk s MET 37 Ca 0.40 -1.05 0.09 0.00 -1.03 0.00 0.00 55.69 54.09 1pzk s MET 37 Cb -0.03 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 1pzk s MET 37 CO -0.05 -0.69 -0.21 0.00 -2.03 0.00 0.00 175.02 172.04 1pzk s ALA 38 N -3.94 2.02 -0.03 3.16 0.00 -1.21 -1.57 121.76 120.18 1pzk s ALA 38 Ca 0.15 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1pzk s ALA 38 Cb -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1pzk s ALA 38 CO 0.05 0.35 -0.05 0.42 0.00 0.00 0.00 175.76 176.53 1pzk s ILE 39 N -1.50 0.53 0.18 0.00 1.01 0.17 -0.98 121.20 120.60 1pzk s ILE 39 Ca 0.12 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.71 1pzk s ILE 39 Cb -0.08 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1pzk s ILE 39 CO 0.06 0.20 -0.22 0.27 0.00 0.00 0.00 174.94 175.25 1pzk s ILE 40 N 0.59 2.15 0.15 2.92 -4.36 -0.17 -0.53 121.20 121.95 1pzk s ILE 40 Ca -0.08 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 1pzk s ILE 40 Cb -0.11 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1pzk s ILE 40 CO 0.00 -0.18 -0.12 0.42 0.24 0.00 0.00 174.94 175.30 1pzk s THR 41 N -1.77 1.34 0.33 8.37 -4.23 -0.69 -1.03 115.64 117.97 1pzk s THR 41 Ca 0.18 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1pzk s THR 41 Cb -0.07 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1pzk s THR 41 CO 0.09 -0.60 0.18 -0.36 -0.54 0.00 0.00 174.62 173.38 1pzk s PHE 42 N -2.84 2.77 0.48 3.99 0.40 -0.30 -0.49 117.98 122.00 1pzk s PHE 42 Ca 0.15 -0.35 0.13 0.00 -0.60 0.00 0.00 56.93 56.26 1pzk s PHE 42 Cb -0.01 -1.66 1.11 0.00 0.51 0.00 0.00 43.02 42.97 1pzk s PHE 42 CO 0.03 0.31 2.11 -0.22 0.70 0.00 0.00 175.22 178.14 1pzk h LYS 43 N 1.48 0.17 0.00 0.44 1.63 -1.89 0.68 116.57 119.08 1pzk h LYS 43 Ca -0.44 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1pzk h LYS 43 Cb 1.25 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1pzk h LYS 43 CO 0.62 0.13 0.00 0.27 -3.45 0.00 0.00 179.45 177.02 1pzk n ASN 44 N -4.50 0.00 0.00 4.20 6.94 -1.26 -4.88 115.26 115.76 1pzk n ASN 44 Ca -0.01 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 1pzk n ASN 44 Cb 0.09 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1pzk n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pzk n GLY 45 N -0.16 1.98 3.72 4.83 0.00 0.23 -5.03 105.19 110.76 1pzk n GLY 45 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1pzk n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzk n ALA 46 N -1.14 2.34 -2.53 4.61 0.00 -1.26 -4.73 120.51 117.80 1pzk n ALA 46 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1pzk n ALA 46 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.84 1pzk n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pzk s THR 47 N 0.54 1.63 0.02 0.00 2.01 -1.26 -1.14 115.64 117.44 1pzk s THR 47 Ca 0.70 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1pzk s THR 47 Cb -0.54 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1pzk s THR 47 CO 0.41 0.46 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.44 1pzk s PHE 48 N -0.37 0.21 0.14 4.92 0.08 -0.19 -3.97 117.98 118.80 1pzk s PHE 48 Ca 0.05 -0.44 0.10 0.00 0.12 0.00 0.00 56.93 56.76 1pzk s PHE 48 Cb -0.09 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 1pzk s PHE 48 CO 0.00 -0.19 -0.21 1.14 -0.10 0.00 0.00 175.22 175.86 1pzk s GLN 49 N -1.36 1.63 -0.35 0.44 -2.07 -0.36 -1.00 119.66 116.60 1pzk s GLN 49 Ca -0.15 -1.30 -0.17 0.00 -1.82 0.00 0.00 55.36 51.92 1pzk s GLN 49 Cb -0.09 -2.00 -0.01 0.00 -1.09 0.00 0.00 33.01 29.82 1pzk s GLN 49 CO -0.01 0.45 0.44 0.08 -1.32 0.00 0.00 175.29 174.94 1pzk s VAL 50 N -1.25 5.09 0.58 3.63 1.01 -0.16 -0.62 120.40 128.70 1pzk s VAL 50 Ca 0.18 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 1pzk s VAL 50 Cb -0.10 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1pzk s VAL 50 CO 0.09 -0.16 1.33 -1.61 0.00 0.00 0.00 175.10 174.75 1pzk s GLU 51 N 2.21 2.92 0.22 2.72 2.02 -1.26 -3.33 118.70 124.20 1pzk s GLU 51 Ca 0.15 2.16 -0.32 0.00 0.02 0.00 0.00 54.97 56.98 1pzk s GLU 51 Cb -0.16 -2.10 -0.14 0.00 0.10 0.00 0.00 34.13 31.84 1pzk s GLU 51 CO 0.12 -1.34 1.46 0.28 0.02 0.00 0.00 175.26 175.80 1pzk n VAL 52 N -1.37 0.69 -1.70 2.63 0.31 -1.26 -4.90 118.33 112.74 1pzk n VAL 52 Ca 0.12 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 1pzk n VAL 52 Cb 0.46 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1pzk n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pzk n PRO 53 N 2.40 2.22 -2.96 5.55 -0.02 -1.26 -4.96 135.00 135.97 1pzk n PRO 53 Ca 0.13 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 1pzk n PRO 53 Cb 0.31 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 1pzk n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pzk n GLY 54 N 1.79 2.17 0.33 -1.23 0.00 -1.26 -5.03 105.19 101.95 1pzk n GLY 54 Ca 0.09 -1.42 0.19 0.00 0.00 0.00 0.00 46.02 44.88 1pzk n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pzk h SER 55 N 1.22 0.00 1.28 1.61 0.02 -2.04 -1.05 113.55 114.60 1pzk h SER 55 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1pzk h SER 55 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1pzk h SER 55 CO 0.24 0.00 0.00 0.06 -1.14 0.00 0.00 176.83 175.99 1pzk h GLN 56 N 0.00 0.00 -6.32 3.45 -0.00 -1.97 -3.45 115.11 106.83 1pzk h GLN 56 Ca 0.02 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 58.11 1pzk h GLN 56 Cb 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.62 1pzk h GLN 56 CO -0.00 0.00 -0.03 -1.01 -0.00 0.00 0.00 178.83 177.79 1pzk s HIS 57 N -3.53 3.71 0.36 0.06 3.76 -0.40 -5.09 115.29 114.15 1pzk s HIS 57 Ca 0.03 1.21 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 1pzk s HIS 57 Cb 0.08 -2.47 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 1pzk s HIS 57 CO 0.57 0.49 0.54 0.96 -0.85 0.00 0.00 174.74 176.46 1pzk s ILE 58 N -1.30 4.69 0.24 0.60 -4.36 -1.26 -4.91 121.20 114.89 1pzk s ILE 58 Ca 0.34 -0.62 -0.05 0.00 -0.26 0.00 0.00 60.65 60.05 1pzk s ILE 58 Cb -0.17 -3.70 0.20 0.00 1.25 0.00 0.00 42.46 40.04 1pzk s ILE 58 CO 0.19 -0.41 1.74 -0.78 0.24 0.00 0.00 174.94 175.93 1pzk h ASP 59 N 0.74 0.32 0.07 4.36 3.58 -1.98 0.04 116.42 123.54 1pzk h ASP 59 Ca -0.49 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1pzk h ASP 59 Cb 1.23 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1pzk h ASP 59 CO 0.59 0.15 0.00 0.77 -2.88 0.00 0.00 179.24 177.87 1pzk h SER 60 N 0.48 0.00 1.11 2.28 4.64 -2.05 -1.60 113.55 118.41 1pzk h SER 60 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1pzk h SER 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pzk h SER 60 CO -0.36 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.24 1pzk n GLN 61 N -2.77 0.27 0.02 4.77 6.02 -0.00 -4.32 117.38 121.38 1pzk n GLN 61 Ca -0.02 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 1pzk n GLN 61 Cb 0.07 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.53 1pzk n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1pzk h LYS 62 N 0.00 0.02 -0.33 -1.09 1.57 -1.36 -0.23 116.57 115.16 1pzk h LYS 62 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1pzk h LYS 62 Cb 0.74 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1pzk h LYS 62 CO 0.00 0.12 -0.02 0.87 -0.57 0.00 0.00 179.45 179.85 1pzk h LYS 63 N -0.08 0.51 -0.18 3.15 1.57 -1.77 -2.82 116.57 116.95 1pzk h LYS 63 Ca 0.01 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1pzk h LYS 63 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1pzk h LYS 63 CO -0.00 0.56 -0.41 0.00 -0.57 0.00 0.00 179.45 179.02 1pzk h ALA 64 N 1.49 0.96 -0.48 3.86 0.00 -1.60 0.27 119.26 123.78 1pzk h ALA 64 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1pzk h ALA 64 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pzk h ALA 64 CO 0.01 0.62 0.23 0.82 0.00 0.00 0.00 179.25 180.93 1pzk h ILE 65 N 0.34 1.19 -0.60 0.00 2.04 -0.88 -0.82 117.51 118.78 1pzk h ILE 65 Ca 0.03 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1pzk h ILE 65 Cb 0.87 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1pzk h ILE 65 CO 0.07 0.21 0.26 -0.33 0.00 0.00 0.00 178.15 178.36 1pzk h GLU 66 N 0.63 0.89 -0.89 2.37 4.39 -1.23 -2.61 114.58 118.12 1pzk h GLU 66 Ca 0.16 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1pzk h GLU 66 Cb 0.12 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1pzk h GLU 66 CO -0.02 0.74 0.58 -0.09 -1.16 0.00 0.00 179.01 179.06 1pzk h ARG 67 N 0.83 1.18 -0.68 2.33 2.43 -0.75 -2.01 114.38 117.71 1pzk h ARG 67 Ca 0.20 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1pzk h ARG 67 Cb 0.17 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1pzk h ARG 67 CO -0.02 0.79 0.27 1.98 -1.51 0.00 0.00 179.97 181.48 1pzk h MET 68 N 1.21 1.02 -0.84 0.20 4.05 -0.79 0.11 114.93 119.89 1pzk h MET 68 Ca 0.32 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1pzk h MET 68 Cb -0.12 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.48 1pzk h MET 68 CO -0.07 0.85 0.44 0.87 0.23 0.00 0.00 176.91 179.22 1pzk h LYS 69 N 0.96 1.18 -0.31 0.39 1.57 -1.25 -0.33 116.57 118.79 1pzk h LYS 69 Ca 0.23 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1pzk h LYS 69 Cb 0.21 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1pzk h LYS 69 CO -0.02 0.88 0.16 -0.44 -0.57 0.00 0.00 179.45 179.46 1pzk h ASP 70 N 1.18 0.23 -0.44 0.86 3.32 -0.58 -2.23 116.42 118.76 1pzk h ASP 70 Ca 0.29 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1pzk h ASP 70 Cb 0.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1pzk h ASP 70 CO -0.04 0.17 0.24 0.74 -1.72 0.00 0.00 179.24 178.63 1pzk h THR 71 N 0.33 1.16 -0.50 0.35 2.02 -0.33 -2.24 112.91 113.70 1pzk h THR 71 Ca 0.13 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1pzk h THR 71 Cb 0.04 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1pzk h THR 71 CO -0.09 0.17 0.02 -0.07 0.37 0.00 0.00 175.52 175.93 1pzk h LEU 72 N 0.58 0.78 -0.13 2.58 3.38 -0.94 0.59 115.31 122.15 1pzk h LEU 72 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pzk h LEU 72 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1pzk h LEU 72 CO -0.02 0.83 0.02 -0.09 0.09 0.00 0.00 178.44 179.26 1pzk h ARG 73 N 0.77 0.22 -0.04 1.13 2.43 -1.18 -0.24 114.38 117.47 1pzk h ARG 73 Ca 0.15 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1pzk h ARG 73 Cb 0.43 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1pzk h ARG 73 CO 0.02 0.43 -0.71 0.97 -1.51 0.00 0.00 179.97 179.16 1pzk h ILE 74 N -0.01 1.44 -0.41 1.20 2.10 -1.26 -1.24 117.51 119.33 1pzk h ILE 74 Ca 0.04 -2.25 0.00 0.00 1.08 0.00 0.00 64.86 63.73 1pzk h ILE 74 Cb 0.32 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 38.23 1pzk h ILE 74 CO 0.00 0.66 0.27 0.00 -1.08 0.00 0.00 178.15 178.00 1pzk h ALA 75 N 1.12 0.53 -0.13 0.18 0.00 -0.80 -1.07 119.26 119.09 1pzk h ALA 75 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pzk h ALA 75 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1pzk h ALA 75 CO 0.11 -0.01 -0.03 -0.92 0.00 0.00 0.00 179.25 178.40 1pzk h TYR 76 N 0.56 -0.06 0.00 0.00 3.20 -0.74 -1.36 116.97 118.57 1pzk h TYR 76 Ca 0.15 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1pzk h TYR 76 Cb -0.05 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1pzk h TYR 76 CO -0.04 -0.05 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.97 1pzk h LEU 77 N 0.00 0.00 -1.03 2.82 3.38 -1.00 -2.47 115.31 117.01 1pzk h LEU 77 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pzk h LEU 77 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pzk h LEU 77 CO -0.13 0.38 -0.11 0.35 0.09 0.00 0.00 178.44 179.02 1pzk n THR 78 N -3.74 0.00 -2.81 0.22 -2.24 -0.42 -4.95 114.28 100.33 1pzk n THR 78 Ca -0.01 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.28 1pzk n THR 78 Cb 0.46 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1pzk n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pzk n GLU 79 N 0.17 -3.85 -2.17 -0.78 1.02 -0.70 -4.94 120.64 109.39 1pzk n GLU 79 Ca 0.15 0.95 -0.41 0.00 -0.02 0.00 0.00 57.16 57.83 1pzk n GLU 79 Cb 0.41 -5.76 -0.03 0.00 -0.02 0.00 0.00 31.44 26.05 1pzk n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pzk s ALA 80 N -3.14 3.55 0.06 0.62 0.00 -0.60 -4.75 121.76 117.51 1pzk s ALA 80 Ca 0.20 1.16 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1pzk s ALA 80 Cb -0.09 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1pzk s ALA 80 CO 0.25 -0.59 1.41 0.21 0.00 0.00 0.00 175.76 177.05 1pzk s LYS 81 N -0.11 4.30 -0.22 0.00 2.20 -1.26 -4.31 119.74 120.34 1pzk s LYS 81 Ca 0.58 2.04 -0.22 0.00 -0.36 0.00 0.00 55.97 58.01 1pzk s LYS 81 Cb -0.38 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1pzk s LYS 81 CO 0.39 -0.52 0.68 0.08 -0.36 0.00 0.00 175.35 175.62 1pzk s VAL 82 N 1.80 4.97 -0.00 4.02 1.01 -0.28 -3.55 120.40 128.36 1pzk s VAL 82 Ca 0.65 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.90 1pzk s VAL 82 Cb -0.35 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pzk s VAL 82 CO 0.29 0.04 0.16 -0.08 0.00 0.00 0.00 175.10 175.51 1pzk h GLU 83 N 7.64 -0.00 -5.03 2.72 4.81 -1.06 0.25 114.58 123.90 1pzk h GLU 83 Ca -0.28 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.60 1pzk h GLU 83 Cb 1.13 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.32 1pzk h GLU 83 CO 0.80 -0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.48 1pzk s LYS 84 N -1.33 0.81 -0.06 1.92 1.02 -1.14 -0.71 119.74 120.24 1pzk s LYS 84 Ca -0.00 -1.05 0.05 0.00 0.02 0.00 0.00 55.97 54.99 1pzk s LYS 84 Cb 0.00 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1pzk s LYS 84 CO 0.00 0.11 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.81 1pzk s LEU 85 N -2.14 2.22 -0.24 3.17 1.43 -0.30 -1.15 118.68 121.66 1pzk s LEU 85 Ca 0.02 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1pzk s LEU 85 Cb -0.06 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1pzk s LEU 85 CO 0.01 0.25 0.33 0.00 0.23 0.00 0.00 176.35 177.17 1pzk s VAL 87 N 1.57 1.32 -0.12 0.00 -7.23 -0.46 -0.21 120.40 115.26 1pzk s VAL 87 Ca 0.14 -1.55 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1pzk s VAL 87 Cb -0.15 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 1pzk s VAL 87 CO 0.08 -0.29 0.85 0.26 -0.31 0.00 0.00 175.10 175.69 1pzk s TRP 88 N -1.67 3.49 -1.61 2.82 0.51 0.80 -1.58 118.94 121.70 1pzk s TRP 88 Ca 0.05 1.35 0.20 0.00 -2.12 0.00 0.00 56.10 55.58 1pzk s TRP 88 Cb -0.08 -3.02 0.62 0.00 -0.81 0.00 0.00 33.47 30.19 1pzk s TRP 88 CO 0.03 -0.15 1.53 0.27 -0.51 0.00 0.00 176.95 178.11 1pzk n ASN 89 N 4.80 4.04 -1.42 2.95 0.23 0.10 -1.74 115.26 124.21 1pzk n ASN 89 Ca 0.04 -2.13 0.06 0.00 -0.53 0.00 0.00 54.58 52.03 1pzk n ASN 89 Cb 0.49 -0.48 0.29 0.00 -2.08 0.00 0.00 39.78 38.00 1pzk n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pzk n ASN 90 N 1.35 4.18 -4.14 0.53 6.94 -1.26 -4.89 115.26 117.97 1pzk n ASN 90 Ca 0.23 -2.54 -0.13 0.00 -0.02 0.00 0.00 54.58 52.13 1pzk n ASN 90 Cb 0.67 -0.58 -0.11 0.00 -2.36 0.00 0.00 39.78 37.40 1pzk n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pzk s LYS 91 N -2.07 0.74 -0.07 -3.83 -0.14 -1.25 -5.10 119.74 108.01 1pzk s LYS 91 Ca 0.40 -1.07 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1pzk s LYS 91 Cb 0.28 -0.37 0.02 0.00 -1.68 0.00 0.00 37.83 36.08 1pzk s LYS 91 CO 0.15 0.05 -0.08 0.99 -0.76 0.00 0.00 175.35 175.70 1pzk s THR 92 N -2.37 0.87 0.91 2.17 2.01 -1.26 -2.89 115.64 115.07 1pzk s THR 92 Ca 0.02 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1pzk s THR 92 Cb -0.03 -0.85 0.10 0.00 0.01 0.00 0.00 72.50 71.72 1pzk s THR 92 CO -0.01 0.31 0.90 -2.65 -0.69 0.00 0.00 174.62 172.47 1pzk n PRO 93 N 4.23 -0.31 -1.62 4.92 -0.02 -1.26 -5.05 135.00 135.89 1pzk n PRO 93 Ca -0.20 -0.03 -0.45 0.00 -2.02 0.00 0.00 63.50 60.80 1pzk n PRO 93 Cb 0.51 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1pzk n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pzk n HIS 94 N -3.88 1.65 -3.64 6.00 8.25 -1.14 -4.48 115.22 117.98 1pzk n HIS 94 Ca 0.10 0.62 -0.36 0.00 -0.26 0.00 0.00 57.72 57.82 1pzk n HIS 94 Cb 0.52 -2.33 -0.08 0.00 1.12 0.00 0.00 29.99 29.22 1pzk n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pzk s ALA 95 N -0.70 3.64 0.03 -1.41 0.00 -0.71 -1.22 121.76 121.38 1pzk s ALA 95 Ca 0.63 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1pzk s ALA 95 Cb -0.69 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1pzk s ALA 95 CO 0.57 0.03 1.31 0.42 0.00 0.00 0.00 175.76 178.09 1pzk s ILE 96 N 0.60 3.83 -0.20 0.00 1.01 0.21 -0.14 121.20 126.52 1pzk s ILE 96 Ca 0.11 1.26 0.08 0.00 0.00 0.00 0.00 60.65 62.09 1pzk s ILE 96 Cb -0.12 -3.81 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 1pzk s ILE 96 CO 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 174.94 174.91 1pzk n ALA 97 N 4.68 1.55 -3.37 9.38 0.00 0.71 -4.84 120.51 128.62 1pzk n ALA 97 Ca 0.11 -1.03 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 1pzk n ALA 97 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1pzk n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pzk s ALA 98 N -2.43 -1.50 0.02 0.00 0.00 -0.86 -4.98 121.76 112.01 1pzk s ALA 98 Ca -0.21 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1pzk s ALA 98 Cb 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1pzk s ALA 98 CO 0.59 -0.59 -0.08 -1.50 0.00 0.00 0.00 175.76 174.18 1pzk s ILE 99 N -2.78 0.61 0.02 0.00 2.07 -1.26 -1.21 121.20 118.65 1pzk s ILE 99 Ca -0.03 -0.67 0.08 0.00 -1.41 0.00 0.00 60.65 58.62 1pzk s ILE 99 Cb -0.00 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 1pzk s ILE 99 CO -0.04 -0.06 -0.24 -0.94 -1.91 0.00 0.00 174.94 171.75 1pzk s SER 100 N -0.80 2.80 -0.05 4.50 1.04 -0.30 -5.00 113.70 115.88 1pzk s SER 100 Ca -0.02 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.95 1pzk s SER 100 Cb -0.06 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1pzk s SER 100 CO 0.00 0.24 -0.17 -0.04 0.98 0.00 0.00 173.24 174.26 1pzk s MET 101 N -0.93 1.90 0.02 4.02 -1.94 -1.26 -0.50 119.30 120.60 1pzk s MET 101 Ca 0.09 -0.59 -0.16 0.00 -1.71 0.00 0.00 55.69 53.32 1pzk s MET 101 Cb -0.09 -1.60 0.03 0.00 2.01 0.00 0.00 34.83 35.17 1pzk s MET 101 CO 0.01 0.19 0.35 0.00 -0.01 0.00 0.00 175.02 175.56 1pzk s ALA 102 N 0.21 -0.86 -0.88 3.03 0.00 -1.23 -4.88 121.76 117.15 1pzk s ALA 102 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1pzk s ALA 102 Cb -0.13 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1pzk s ALA 102 CO 0.03 -0.36 0.22 0.09 0.00 0.00 0.00 175.76 175.74