#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 3.63 0.34 -2.82 0.02 -1.26 -4.93 135.00 129.98 1pzk s PRO 2 Ca 0.00 2.27 0.22 0.00 0.02 0.00 0.00 61.00 63.50 1pzk s PRO 2 Cb 0.00 -2.57 0.20 0.00 0.02 0.00 0.00 34.50 32.15 1pzk s PRO 2 CO 0.00 -0.81 1.41 1.96 -0.33 0.00 0.00 177.00 179.23 1pzk h GLN 3 N 2.19 0.00 -2.66 5.54 1.08 -2.02 -3.49 115.11 115.75 1pzk h GLN 3 Ca -0.50 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.82 1pzk h GLN 3 Cb 1.27 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.63 1pzk h GLN 3 CO 0.60 0.07 0.36 0.54 -0.95 0.00 0.00 178.83 179.46 1pzk s ASN 4 N -6.00 -0.23 0.43 1.46 2.20 -1.26 -5.05 114.94 106.49 1pzk s ASN 4 Ca 0.04 -0.48 0.11 0.00 -0.94 0.00 0.00 52.86 51.59 1pzk s ASN 4 Cb 0.07 0.60 0.93 0.00 -2.00 0.00 0.00 41.25 40.85 1pzk s ASN 4 CO 0.72 -1.10 2.00 -0.29 -2.94 0.00 0.00 177.10 175.49 1pzk h ILE 5 N 2.00 1.12 -0.14 0.54 2.10 -1.96 -2.01 117.51 119.16 1pzk h ILE 5 Ca -0.22 -0.47 -0.04 0.00 1.08 0.00 0.00 64.86 65.21 1pzk h ILE 5 Cb 1.24 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1pzk h ILE 5 CO 0.25 0.15 -0.07 0.74 -1.08 0.00 0.00 178.15 178.14 1pzk h THR 6 N 0.21 1.32 -0.69 2.19 2.02 -1.99 0.69 112.91 116.66 1pzk h THR 6 Ca 0.05 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1pzk h THR 6 Cb 0.20 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1pzk h THR 6 CO 0.01 0.33 0.14 0.44 0.37 0.00 0.00 175.52 176.81 1pzk h ASP 7 N -0.05 1.08 -0.32 4.18 3.32 -1.95 -2.31 116.42 120.38 1pzk h ASP 7 Ca 0.03 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1pzk h ASP 7 Cb 0.55 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1pzk h ASP 7 CO 0.02 1.04 0.18 0.25 -1.72 0.00 0.00 179.24 179.02 1pzk h LEU 8 N 1.06 0.39 -1.40 1.55 6.46 -1.23 -2.86 115.31 119.28 1pzk h LEU 8 Ca 0.22 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1pzk h LEU 8 Cb 0.41 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1pzk h LEU 8 CO 0.01 0.34 0.42 0.00 -0.62 0.00 0.00 178.44 178.58 1pzk n ALA 10 N -2.44 1.86 0.94 0.00 0.00 -0.89 -2.59 120.51 117.38 1pzk n ALA 10 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1pzk n ALA 10 Cb 0.07 -1.33 0.54 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.67 0.15 -4.38 0.00 1.02 -0.66 -4.83 120.64 110.26 1pzk n GLU 11 Ca 0.04 0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 1pzk n GLU 11 Cb 0.24 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.81 2.34 0.58 -0.32 1.51 -1.07 -5.14 117.35 112.43 1pzk s TYR 12 Ca 0.16 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1pzk s TYR 12 Cb 0.15 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1pzk s TYR 12 CO 0.39 0.37 0.94 -1.01 -1.11 0.00 0.00 175.55 175.13 1pzk s HIS 13 N -1.15 3.53 -1.64 2.71 3.76 -1.26 -4.25 115.29 116.98 1pzk s HIS 13 Ca 0.15 1.03 -0.02 0.00 -0.15 0.00 0.00 55.06 56.07 1pzk s HIS 13 Cb -0.10 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.97 1pzk s HIS 13 CO 0.07 -0.63 0.29 0.09 -0.85 0.00 0.00 174.74 173.72 1pzk n ASN 14 N -2.60 -5.94 -4.47 1.40 5.03 -1.26 -4.95 115.26 102.47 1pzk n ASN 14 Ca 0.04 -0.15 -0.24 0.00 0.87 0.00 0.00 54.58 55.10 1pzk n ASN 14 Cb 0.55 -4.86 -0.10 0.00 -1.02 0.00 0.00 39.78 34.35 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 -3.09 2.46 0.10 3.41 -4.23 -1.26 -0.68 115.64 112.35 1pzk s THR 15 Ca 0.14 -2.38 -0.14 0.00 -1.18 0.00 0.00 61.69 58.13 1pzk s THR 15 Cb -0.06 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1pzk s THR 15 CO 0.18 -0.38 0.34 0.00 -0.54 0.00 0.00 174.62 174.22 1pzk s GLN 16 N -3.45 0.98 -0.13 3.99 -2.07 -0.43 -4.89 119.66 113.66 1pzk s GLN 16 Ca 0.29 -0.71 -0.15 0.00 -1.82 0.00 0.00 55.36 52.97 1pzk s GLN 16 Cb -0.05 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1pzk s GLN 16 CO 0.15 -0.36 0.35 0.42 -1.32 0.00 0.00 175.29 174.53 1pzk s ILE 17 N -3.56 5.24 -0.16 3.63 -1.09 -1.26 -1.04 121.20 122.96 1pzk s ILE 17 Ca 0.02 0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1pzk s ILE 17 Cb 0.02 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1pzk s ILE 17 CO -0.10 0.40 -0.04 -1.00 -1.23 0.00 0.00 174.94 172.97 1pzk s HIS 18 N 0.26 3.02 -0.28 3.97 3.76 -0.27 -4.98 115.29 120.77 1pzk s HIS 18 Ca 0.20 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 54.72 1pzk s HIS 18 Cb -0.14 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 1pzk s HIS 18 CO 0.07 -0.04 0.10 0.99 -0.85 0.00 0.00 174.74 175.01 1pzk s THR 19 N 0.37 4.33 -0.18 1.30 2.01 -1.26 -1.06 115.64 121.15 1pzk s THR 19 Ca -0.04 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1pzk s THR 19 Cb -0.14 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 1pzk s THR 19 CO 0.03 0.18 -0.21 0.18 -0.69 0.00 0.00 174.62 174.11 1pzk n LEU 20 N 4.93 1.88 -4.18 4.42 4.77 -0.19 -5.01 117.00 123.62 1pzk n LEU 20 Ca -0.15 0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1pzk n LEU 20 Cb 0.50 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1pzk n LEU 20 CO 0.32 0.53 -0.33 0.59 -1.33 0.00 0.00 177.39 177.17 1pzk n ASN 21 N -3.56 -0.04 -3.56 -1.43 3.02 -0.04 -4.95 115.26 104.71 1pzk n ASN 21 Ca -0.35 -1.15 -0.13 0.00 -0.03 0.00 0.00 54.58 52.92 1pzk n ASN 21 Cb 0.79 -2.26 -0.04 0.00 -0.61 0.00 0.00 39.78 37.66 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 -4.23 -0.42 0.67 6.41 2.15 -0.77 -4.91 116.67 115.57 1pzk s ASP 22 Ca 0.11 0.04 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1pzk s ASP 22 Cb -0.06 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1pzk s ASP 22 CO 0.95 -0.80 1.06 -1.59 -0.17 0.00 0.00 175.17 174.63 1pzk s LYS 23 N -2.99 2.98 0.16 4.34 -2.85 -1.26 -1.04 119.74 119.09 1pzk s LYS 23 Ca -0.02 1.04 -0.31 0.00 -1.00 0.00 0.00 55.97 55.68 1pzk s LYS 23 Cb -0.00 -1.99 -0.08 0.00 -2.06 0.00 0.00 37.83 33.69 1pzk s LYS 23 CO -0.06 -1.07 1.34 0.42 0.10 0.00 0.00 175.35 176.08 1pzk s ILE 24 N -2.88 3.26 -0.03 3.79 1.01 -1.26 -4.66 121.20 120.43 1pzk s ILE 24 Ca 0.60 0.98 -0.11 0.00 0.00 0.00 0.00 60.65 62.12 1pzk s ILE 24 Cb -0.15 -3.63 -0.31 0.00 0.01 0.00 0.00 42.46 38.38 1pzk s ILE 24 CO 0.50 0.12 0.73 0.15 0.00 0.00 0.00 174.94 176.43 1pzk h PHE 25 N 5.99 0.73 -3.49 3.97 3.57 -1.07 -3.48 116.94 123.16 1pzk h PHE 25 Ca -0.44 -0.54 -0.15 0.00 3.53 0.00 0.00 57.97 60.38 1pzk h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1pzk h PHE 25 CO 0.64 1.64 -0.49 -1.54 -2.23 0.00 0.00 178.31 176.33 1pzk s SER 26 N -7.31 0.01 -0.06 0.41 1.04 -1.00 -4.98 113.70 101.81 1pzk s SER 26 Ca -0.14 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1pzk s SER 26 Cb 0.05 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1pzk s SER 26 CO 0.87 -0.35 -0.10 -0.47 0.98 0.00 0.00 173.24 174.17 1pzk s TYR 27 N -1.29 1.27 -0.02 5.02 5.04 -1.26 -1.80 117.35 124.31 1pzk s TYR 27 Ca -0.14 -0.47 0.04 0.00 -2.44 0.00 0.00 57.07 54.07 1pzk s TYR 27 Cb -0.07 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.25 1pzk s TYR 27 CO 0.02 -0.28 -0.14 0.99 -1.34 0.00 0.00 175.55 174.80 1pzk s THR 28 N 0.83 1.13 -0.00 4.34 2.01 0.04 -5.01 115.64 118.98 1pzk s THR 28 Ca -0.12 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1pzk s THR 28 Cb -0.15 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1pzk s THR 28 CO 0.02 0.32 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.56 1pzk s GLU 29 N -0.20 0.13 -0.02 4.92 2.12 -1.26 -0.64 118.70 123.75 1pzk s GLU 29 Ca 0.03 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.35 1pzk s GLU 29 Cb -0.07 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 1pzk s GLU 29 CO 0.00 0.02 -0.14 0.45 -0.54 0.00 0.00 175.26 175.05 1pzk s SER 30 N 0.03 1.73 0.00 -1.70 0.15 -0.62 -5.01 113.70 108.29 1pzk s SER 30 Ca 0.00 -0.27 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1pzk s SER 30 Cb -0.01 -0.30 0.24 0.00 -1.71 0.00 0.00 66.02 64.24 1pzk s SER 30 CO -0.00 0.16 1.12 0.00 1.20 0.00 0.00 173.24 175.72 1pzk n LEU 31 N 2.90 2.63 -4.76 3.45 -0.00 -1.26 -2.77 117.00 117.19 1pzk n LEU 31 Ca -0.16 -1.52 -0.38 0.00 -0.00 0.00 0.00 56.01 53.95 1pzk n LEU 31 Cb 0.54 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1pzk n LEU 31 CO 0.24 0.59 0.91 0.00 -0.00 0.00 0.00 177.39 179.14 1pzk s ALA 32 N -1.05 3.05 0.17 1.47 0.00 -1.26 -4.79 121.76 119.34 1pzk s ALA 32 Ca 0.22 1.14 -0.32 0.00 0.00 0.00 0.00 51.96 53.00 1pzk s ALA 32 Cb 0.13 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1pzk s ALA 32 CO 0.18 -0.88 1.73 0.20 0.00 0.00 0.00 175.76 176.99 1pzk s GLY 33 N -1.03 1.30 0.00 0.00 0.00 -1.26 -0.96 107.32 105.37 1pzk s GLY 33 Ca 0.63 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1pzk s GLY 33 CO 0.43 2.93 0.00 0.28 0.00 0.00 0.00 173.10 176.74 1pzk n LYS 34 N 4.53 -0.33 -2.54 2.90 4.76 -1.26 -4.83 118.16 121.39 1pzk n LYS 34 Ca 0.16 0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.58 1pzk n LYS 34 Cb 0.37 -3.47 0.03 0.00 -1.84 0.00 0.00 35.03 30.12 1pzk n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pzk n ARG 35 N -1.78 2.34 -2.73 1.97 5.12 -0.14 -4.97 116.66 116.48 1pzk n ARG 35 Ca 0.00 -3.75 -0.42 0.00 -1.93 0.00 0.00 57.85 51.74 1pzk n ARG 35 Cb 0.08 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.55 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 -3.62 3.64 0.24 5.56 8.01 -1.15 -4.28 118.70 127.11 1pzk s GLU 36 Ca 0.36 -1.51 -0.12 0.00 0.01 0.00 0.00 54.97 53.72 1pzk s GLU 36 Cb 0.38 -5.17 -0.01 0.00 -4.31 0.00 0.00 34.13 25.01 1pzk s GLU 36 CO -0.02 -2.01 0.44 0.00 0.01 0.00 0.00 175.26 173.68 1pzk s MET 37 N 3.82 1.51 0.09 1.61 0.23 -1.11 -4.17 119.30 121.28 1pzk s MET 37 Ca 0.41 -1.29 0.08 0.00 -1.03 0.00 0.00 55.69 53.85 1pzk s MET 37 Cb -0.02 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1pzk s MET 37 CO -0.08 -0.62 -0.20 0.00 -2.03 0.00 0.00 175.02 172.09 1pzk s ALA 38 N -4.03 1.73 -0.03 3.16 0.00 -1.19 -1.59 121.76 119.81 1pzk s ALA 38 Ca 0.24 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1pzk s ALA 38 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1pzk s ALA 38 CO 0.09 0.35 -0.11 0.42 0.00 0.00 0.00 175.76 176.51 1pzk s ILE 39 N -1.11 0.97 0.12 0.00 1.01 0.19 -1.08 121.20 121.30 1pzk s ILE 39 Ca 0.06 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1pzk s ILE 39 Cb -0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1pzk s ILE 39 CO 0.04 0.29 -0.20 0.27 0.00 0.00 0.00 174.94 175.34 1pzk s ILE 40 N 0.12 1.72 0.18 2.92 -4.36 0.19 -0.78 121.20 121.19 1pzk s ILE 40 Ca -0.03 -1.64 0.07 0.00 -0.26 0.00 0.00 60.65 58.79 1pzk s ILE 40 Cb -0.09 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1pzk s ILE 40 CO 0.01 -0.14 -0.14 0.42 0.24 0.00 0.00 174.94 175.33 1pzk s THR 41 N -1.41 1.59 0.35 8.37 -4.23 -0.74 -1.22 115.64 118.35 1pzk s THR 41 Ca 0.09 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1pzk s THR 41 Cb -0.09 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1pzk s THR 41 CO 0.05 -0.57 0.26 -0.36 -0.54 0.00 0.00 174.62 173.46 1pzk s PHE 42 N -2.82 2.80 0.33 3.99 0.08 -0.57 -0.46 117.98 121.34 1pzk s PHE 42 Ca 0.19 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1pzk s PHE 42 Cb -0.01 -1.83 0.68 0.00 -0.57 0.00 0.00 43.02 41.29 1pzk s PHE 42 CO 0.05 0.17 1.90 -0.22 -0.10 0.00 0.00 175.22 177.03 1pzk h LYS 43 N 1.30 0.82 0.00 0.44 1.63 -1.90 0.08 116.57 118.94 1pzk h LYS 43 Ca -0.44 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1pzk h LYS 43 Cb 1.26 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1pzk h LYS 43 CO 0.60 0.54 0.00 0.27 -3.45 0.00 0.00 179.45 177.41 1pzk n ASN 44 N -4.52 0.64 0.00 4.20 0.23 -1.26 -4.87 115.26 109.67 1pzk n ASN 44 Ca 0.15 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.89 1pzk n ASN 44 Cb 0.31 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.20 1pzk n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pzk n GLY 45 N -0.35 1.78 3.72 4.83 0.00 0.01 -5.08 105.19 110.11 1pzk n GLY 45 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.85 1.99 -2.54 4.61 0.00 -1.26 -4.69 120.51 117.77 1pzk n ALA 46 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.56 1pzk n ALA 46 Cb 0.00 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 16.91 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 -0.28 1.45 0.02 0.00 2.01 -1.26 -1.51 115.64 116.07 1pzk s THR 47 Ca 0.63 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1pzk s THR 47 Cb -0.54 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1pzk s THR 47 CO 0.52 0.41 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.47 1pzk s PHE 48 N -0.35 0.30 0.17 4.92 0.08 -0.35 -4.00 117.98 118.73 1pzk s PHE 48 Ca 0.05 -0.49 0.11 0.00 0.12 0.00 0.00 56.93 56.72 1pzk s PHE 48 Cb -0.08 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1pzk s PHE 48 CO -0.00 -0.17 -0.23 1.14 -0.10 0.00 0.00 175.22 175.86 1pzk s GLN 49 N -1.39 1.56 -0.37 0.44 -2.07 -0.34 -0.64 119.66 116.85 1pzk s GLN 49 Ca -0.14 -1.42 -0.17 0.00 -1.82 0.00 0.00 55.36 51.81 1pzk s GLN 49 Cb -0.09 -1.91 -0.00 0.00 -1.09 0.00 0.00 33.01 29.91 1pzk s GLN 49 CO -0.01 0.42 0.43 0.08 -1.32 0.00 0.00 175.29 174.89 1pzk s VAL 50 N -1.45 5.10 0.63 3.63 1.01 -0.24 -0.56 120.40 128.52 1pzk s VAL 50 Ca 0.19 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1pzk s VAL 50 Cb -0.09 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1pzk s VAL 50 CO 0.09 -0.22 1.29 -1.61 0.00 0.00 0.00 175.10 174.65 1pzk s GLU 51 N 2.17 2.66 0.23 2.72 2.02 -1.26 -3.17 118.70 124.07 1pzk s GLU 51 Ca 0.14 2.06 -0.32 0.00 0.02 0.00 0.00 54.97 56.88 1pzk s GLU 51 Cb -0.16 -1.90 -0.13 0.00 0.10 0.00 0.00 34.13 32.04 1pzk s GLU 51 CO 0.13 -1.51 1.53 0.28 0.02 0.00 0.00 175.26 175.70 1pzk n VAL 52 N -1.77 0.67 -1.70 2.63 0.31 -1.26 -4.88 118.33 112.32 1pzk n VAL 52 Ca 0.15 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 1pzk n VAL 52 Cb 0.48 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.56 2.39 -1.67 5.55 -0.02 -1.26 -4.96 135.00 137.60 1pzk n PRO 53 Ca 0.12 0.85 -0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1pzk n PRO 53 Cb 0.33 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 2.51 3.20 0.28 -1.23 0.00 -1.26 -5.04 105.19 103.66 1pzk n GLY 54 Ca 0.12 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 0.05 0.00 1.15 1.61 0.02 -2.03 -1.51 113.55 112.84 1pzk h SER 55 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1pzk h SER 55 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1pzk h SER 55 CO 0.01 0.06 -0.06 0.06 -1.14 0.00 0.00 176.83 175.75 1pzk h GLN 56 N 0.00 0.00 -6.16 3.45 -0.00 -1.97 -3.44 115.11 106.99 1pzk h GLN 56 Ca -0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 58.09 1pzk h GLN 56 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.61 1pzk h GLN 56 CO 0.01 0.06 0.05 -1.01 -0.00 0.00 0.00 178.83 177.94 1pzk s HIS 57 N -3.58 3.70 0.59 0.06 3.76 -0.57 -5.08 115.29 114.16 1pzk s HIS 57 Ca 0.02 1.30 -0.08 0.00 -0.15 0.00 0.00 55.06 56.15 1pzk s HIS 57 Cb 0.09 -2.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 1pzk s HIS 57 CO 0.59 0.32 0.93 0.96 -0.85 0.00 0.00 174.74 176.69 1pzk s ILE 58 N -0.11 4.25 0.33 0.60 -4.36 -1.26 -4.90 121.20 115.74 1pzk s ILE 58 Ca 0.34 0.36 0.01 0.00 -0.26 0.00 0.00 60.65 61.10 1pzk s ILE 58 Cb -0.19 -3.68 0.27 0.00 1.25 0.00 0.00 42.46 40.11 1pzk s ILE 58 CO 0.19 -0.77 1.98 -0.78 0.24 0.00 0.00 174.94 175.80 1pzk h ASP 59 N -0.18 0.81 0.30 4.36 3.58 -1.98 -0.17 116.42 123.15 1pzk h ASP 59 Ca -0.45 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1pzk h ASP 59 Cb 1.22 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1pzk h ASP 59 CO 0.62 0.57 -0.03 0.77 -2.88 0.00 0.00 179.24 178.29 1pzk h SER 60 N 0.95 0.00 1.58 2.28 4.64 -2.05 -1.81 113.55 119.15 1pzk h SER 60 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1pzk h SER 60 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1pzk h SER 60 CO -0.07 0.03 0.00 1.56 -0.87 0.00 0.00 176.83 177.48 1pzk h GLN 61 N 0.00 0.00 -0.45 4.77 4.20 -1.40 -3.35 115.11 118.87 1pzk h GLN 61 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1pzk h GLN 61 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1pzk h GLN 61 CO 0.00 0.00 0.16 0.87 -0.67 0.00 0.00 178.83 179.19 1pzk h LYS 62 N 0.00 0.69 -0.20 1.46 1.79 -1.41 0.40 116.57 119.29 1pzk h LYS 62 Ca 0.00 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.22 1pzk h LYS 62 Cb 0.79 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1pzk h LYS 62 CO 0.00 0.65 -0.37 0.87 -1.08 0.00 0.00 179.45 179.52 1pzk h LYS 63 N 0.59 0.45 -0.20 3.15 1.57 -1.77 -2.65 116.57 117.70 1pzk h LYS 63 Ca 0.15 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1pzk h LYS 63 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1pzk h LYS 63 CO -0.01 0.75 -0.40 0.00 -0.57 0.00 0.00 179.45 179.22 1pzk h ALA 64 N 1.23 0.92 -0.55 3.86 0.00 -1.53 -0.98 119.26 122.21 1pzk h ALA 64 Ca 0.04 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1pzk h ALA 64 Cb 0.82 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1pzk h ALA 64 CO 0.07 0.63 0.33 0.82 0.00 0.00 0.00 179.25 181.10 1pzk h ILE 65 N 0.39 1.16 -0.56 0.00 2.04 -0.73 -0.39 117.51 119.43 1pzk h ILE 65 Ca 0.03 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1pzk h ILE 65 Cb 0.88 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1pzk h ILE 65 CO 0.07 0.17 0.08 -0.33 0.00 0.00 0.00 178.15 178.14 1pzk h GLU 66 N 0.74 0.94 -0.65 2.37 4.39 -1.17 -2.54 114.58 118.66 1pzk h GLU 66 Ca 0.20 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pzk h GLU 66 Cb -0.02 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1pzk h GLU 66 CO -0.04 0.91 0.36 -0.09 -1.16 0.00 0.00 179.01 178.99 1pzk h ARG 67 N 0.83 0.91 -0.55 2.33 2.43 -0.95 -2.20 114.38 117.19 1pzk h ARG 67 Ca 0.17 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1pzk h ARG 67 Cb 0.44 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1pzk h ARG 67 CO 0.01 0.68 0.33 1.98 -1.51 0.00 0.00 179.97 181.46 1pzk h MET 68 N 0.89 0.63 -0.50 0.20 4.05 -0.75 0.94 114.93 120.39 1pzk h MET 68 Ca 0.23 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1pzk h MET 68 Cb 0.04 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1pzk h MET 68 CO -0.04 0.42 0.15 0.87 0.23 0.00 0.00 176.91 178.54 1pzk h LYS 69 N 0.65 0.73 -0.52 0.39 1.57 -1.27 -0.09 116.57 118.04 1pzk h LYS 69 Ca 0.22 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pzk h LYS 69 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1pzk h LYS 69 CO -0.10 0.64 0.24 -0.44 -0.57 0.00 0.00 179.45 179.23 1pzk h ASP 70 N 0.72 0.70 -0.53 0.86 3.32 -0.68 -2.13 116.42 118.67 1pzk h ASP 70 Ca 0.17 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1pzk h ASP 70 Cb 0.22 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1pzk h ASP 70 CO -0.01 0.64 0.24 0.74 -1.72 0.00 0.00 179.24 179.13 1pzk h THR 71 N 0.70 1.21 -0.65 0.35 2.02 -0.32 -2.15 112.91 114.07 1pzk h THR 71 Ca 0.18 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1pzk h THR 71 Cb 0.14 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1pzk h THR 71 CO -0.02 0.24 0.18 -0.07 0.37 0.00 0.00 175.52 176.22 1pzk h LEU 72 N 0.71 0.96 0.02 2.58 3.38 -0.86 0.04 115.31 122.15 1pzk h LEU 72 Ca 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pzk h LEU 72 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pzk h LEU 72 CO -0.02 0.93 -0.01 -0.09 0.09 0.00 0.00 178.44 179.34 1pzk h ARG 73 N 0.95 -0.03 -0.15 1.13 2.43 -1.23 0.00 114.38 117.49 1pzk h ARG 73 Ca 0.21 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 1pzk h ARG 73 Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1pzk h ARG 73 CO -0.00 0.09 -0.50 0.97 -1.51 0.00 0.00 179.97 179.01 1pzk h ILE 74 N -0.14 1.33 -0.77 1.20 6.09 -1.27 -1.25 117.51 122.70 1pzk h ILE 74 Ca -0.00 -1.74 -0.00 0.00 -1.37 0.00 0.00 64.86 61.75 1pzk h ILE 74 Cb 0.13 1.77 -0.04 0.00 0.47 0.00 0.00 36.82 39.15 1pzk h ILE 74 CO 0.00 0.53 0.46 0.00 -3.07 0.00 0.00 178.15 176.08 1pzk h ALA 75 N 1.15 0.99 -0.02 0.18 0.00 -0.90 -0.90 119.26 119.75 1pzk h ALA 75 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pzk h ALA 75 Cb 0.99 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pzk h ALA 75 CO 0.09 0.46 0.01 -0.92 0.00 0.00 0.00 179.25 178.89 1pzk h TYR 76 N 1.06 0.03 0.00 0.00 3.20 -0.62 -1.34 116.97 119.30 1pzk h TYR 76 Ca 0.28 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1pzk h TYR 76 Cb -0.03 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1pzk h TYR 76 CO -0.01 0.12 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.20 1pzk h LEU 77 N -0.06 0.00 -1.32 2.82 3.38 -1.03 -2.54 115.31 116.56 1pzk h LEU 77 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pzk h LEU 77 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1pzk h LEU 77 CO -0.00 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1pzk n THR 78 N -3.99 0.05 -3.21 0.22 -2.24 -0.36 -4.95 114.28 99.81 1pzk n THR 78 Ca -0.02 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.18 1pzk n THR 78 Cb 0.41 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.58 -4.89 -2.19 -0.78 1.02 -0.60 -4.94 120.64 108.83 1pzk n GLU 79 Ca 0.17 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.69 1pzk n GLU 79 Cb 0.43 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 26.19 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 3.51 -0.00 0.62 0.00 -0.62 -4.77 121.76 117.36 1pzk s ALA 80 Ca 0.37 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 1pzk s ALA 80 Cb -0.18 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 1pzk s ALA 80 CO 0.46 -0.55 1.40 0.21 0.00 0.00 0.00 175.76 177.27 1pzk s LYS 81 N -0.89 4.28 -0.17 0.00 2.20 -1.26 -4.23 119.74 119.66 1pzk s LYS 81 Ca 0.53 1.96 -0.22 0.00 -0.36 0.00 0.00 55.97 57.87 1pzk s LYS 81 Cb -0.38 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1pzk s LYS 81 CO 0.44 -0.57 0.70 0.08 -0.36 0.00 0.00 175.35 175.64 1pzk s VAL 82 N 2.39 4.98 -0.00 4.02 1.01 -0.20 -3.35 120.40 129.25 1pzk s VAL 82 Ca 0.64 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.97 1pzk s VAL 82 Cb -0.31 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pzk s VAL 82 CO 0.26 0.10 0.08 -0.08 0.00 0.00 0.00 175.10 175.46 1pzk h GLU 83 N 7.34 -0.00 -5.13 2.72 4.81 -1.08 0.12 114.58 123.36 1pzk h GLU 83 Ca -0.32 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.55 1pzk h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1pzk h GLU 83 CO 0.79 -0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.47 1pzk s LYS 84 N -1.17 0.87 -0.08 1.92 1.02 -1.13 -1.02 119.74 120.14 1pzk s LYS 84 Ca -0.00 -1.13 0.04 0.00 0.02 0.00 0.00 55.97 54.90 1pzk s LYS 84 Cb 0.00 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.63 1pzk s LYS 84 CO 0.00 0.12 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.82 1pzk s LEU 85 N -2.29 2.24 -0.19 3.17 1.43 -0.22 -1.10 118.68 121.72 1pzk s LEU 85 Ca 0.04 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1pzk s LEU 85 Cb -0.05 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1pzk s LEU 85 CO 0.01 0.21 0.44 0.00 0.23 0.00 0.00 176.35 177.25 1pzk s VAL 87 N 1.27 0.85 -0.09 0.00 -7.23 -0.21 -0.11 120.40 114.89 1pzk s VAL 87 Ca 0.21 -1.19 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1pzk s VAL 87 Cb -0.15 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1pzk s VAL 87 CO 0.09 -0.29 0.87 0.26 -0.31 0.00 0.00 175.10 175.72 1pzk s TRP 88 N -1.30 3.54 -1.98 2.82 0.51 0.75 -1.32 118.94 121.95 1pzk s TRP 88 Ca -0.05 1.43 0.22 0.00 -2.12 0.00 0.00 56.10 55.57 1pzk s TRP 88 Cb -0.10 -3.02 0.60 0.00 -0.81 0.00 0.00 33.47 30.14 1pzk s TRP 88 CO 0.01 -0.10 1.51 0.27 -0.51 0.00 0.00 176.95 178.13 1pzk n ASN 89 N 4.50 3.85 -1.25 2.95 0.23 0.14 -1.68 115.26 124.01 1pzk n ASN 89 Ca 0.04 -2.00 0.06 0.00 -0.53 0.00 0.00 54.58 52.16 1pzk n ASN 89 Cb 0.50 -0.45 0.26 0.00 -2.08 0.00 0.00 39.78 38.01 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 1.58 3.63 -4.21 0.53 6.94 -1.26 -4.88 115.26 117.59 1pzk n ASN 90 Ca 0.23 -2.36 -0.15 0.00 -0.02 0.00 0.00 54.58 52.28 1pzk n ASN 90 Cb 0.61 -0.50 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.81 0.94 -0.08 -3.83 -0.14 -1.25 -5.10 119.74 108.46 1pzk s LYS 91 Ca 0.37 -1.25 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1pzk s LYS 91 Cb 0.24 -0.65 0.02 0.00 -1.68 0.00 0.00 37.83 35.77 1pzk s LYS 91 CO 0.17 0.10 -0.06 0.99 -0.76 0.00 0.00 175.35 175.79 1pzk s THR 92 N -2.58 0.80 0.90 2.17 2.01 -1.26 -2.95 115.64 114.72 1pzk s THR 92 Ca 0.09 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1pzk s THR 92 Cb -0.02 -0.82 0.09 0.00 0.01 0.00 0.00 72.50 71.76 1pzk s THR 92 CO 0.01 0.31 0.90 -2.65 -0.69 0.00 0.00 174.62 172.49 1pzk n PRO 93 N 4.52 -0.25 -1.61 4.92 -0.02 -1.26 -5.06 135.00 136.24 1pzk n PRO 93 Ca -0.17 -0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 60.86 1pzk n PRO 93 Cb 0.51 -2.20 -0.01 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 -3.78 1.46 -3.71 6.00 8.25 -1.15 -4.48 115.22 117.81 1pzk n HIS 94 Ca 0.11 0.68 -0.36 0.00 -0.26 0.00 0.00 57.72 57.89 1pzk n HIS 94 Cb 0.52 -2.28 -0.09 0.00 1.12 0.00 0.00 29.99 29.26 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 -1.05 3.65 0.04 -1.41 0.00 -0.67 -1.20 121.76 121.12 1pzk s ALA 95 Ca 0.58 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1pzk s ALA 95 Cb -0.68 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 1pzk s ALA 95 CO 0.60 0.02 1.28 0.42 0.00 0.00 0.00 175.76 178.09 1pzk s ILE 96 N 0.63 3.85 -0.19 0.00 1.01 0.28 -0.18 121.20 126.60 1pzk s ILE 96 Ca 0.08 1.29 0.07 0.00 0.00 0.00 0.00 60.65 62.09 1pzk s ILE 96 Cb -0.12 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.36 1pzk s ILE 96 CO 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 174.94 174.93 1pzk n ALA 97 N 4.45 1.57 -3.32 9.38 0.00 0.85 -4.84 120.51 128.60 1pzk n ALA 97 Ca 0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 1pzk n ALA 97 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.41 -1.43 0.00 0.00 0.00 -0.90 -4.98 121.76 112.04 1pzk s ALA 98 Ca -0.19 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1pzk s ALA 98 Cb 0.06 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1pzk s ALA 98 CO 0.57 -0.66 -0.05 -1.50 0.00 0.00 0.00 175.76 174.11 1pzk s ILE 99 N -3.29 0.42 -0.03 0.00 2.07 -1.26 -1.28 121.20 117.83 1pzk s ILE 99 Ca -0.01 -0.33 0.07 0.00 -1.41 0.00 0.00 60.65 58.96 1pzk s ILE 99 Cb -0.00 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1pzk s ILE 99 CO -0.09 0.05 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.82 1pzk s SER 100 N -0.32 2.73 -0.07 4.50 1.04 -0.26 -5.00 113.70 116.32 1pzk s SER 100 Ca 0.00 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1pzk s SER 100 Cb -0.03 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 1pzk s SER 100 CO -0.00 0.26 -0.24 -0.04 0.98 0.00 0.00 173.24 174.20 1pzk s MET 101 N -0.40 2.61 -0.09 4.02 -1.94 -1.26 -0.57 119.30 121.66 1pzk s MET 101 Ca 0.05 -0.86 -0.25 0.00 -1.71 0.00 0.00 55.69 52.92 1pzk s MET 101 Cb -0.10 -2.13 0.06 0.00 2.01 0.00 0.00 34.83 34.66 1pzk s MET 101 CO 0.00 0.31 0.58 0.00 -0.01 0.00 0.00 175.02 175.90 1pzk s ALA 102 N 0.01 -1.49 -2.00 3.03 0.00 -1.21 -4.86 121.76 115.24 1pzk s ALA 102 Ca -0.08 1.22 0.31 0.00 0.00 0.00 0.00 51.96 53.42 1pzk s ALA 102 Cb -0.15 -0.26 1.88 0.00 0.00 0.00 0.00 23.12 24.59 1pzk s ALA 102 CO 0.05 -0.32 2.20 -1.71 0.00 0.00 0.00 175.76 175.98