#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5d s PRO 2 N 0.00 2.87 0.00 -2.82 0.04 -1.26 -4.96 135.00 128.87 1s5d s PRO 2 Ca 0.00 1.42 0.16 0.00 0.04 0.00 0.00 61.00 62.62 1s5d s PRO 2 Cb 0.00 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.66 1s5d s PRO 2 CO 0.00 -1.20 0.95 1.04 0.04 0.00 0.00 177.00 177.84 1s5d n GLN 3 N -2.27 1.46 -3.71 4.56 6.02 -1.26 -4.98 117.38 117.20 1s5d n GLN 3 Ca 0.11 -1.22 -0.09 0.00 -0.01 0.00 0.00 57.00 55.79 1s5d n GLN 3 Cb 0.52 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.46 1s5d n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5d s ASN 4 N -1.57 -0.34 0.32 1.08 2.20 -1.26 -5.06 114.94 110.31 1s5d s ASN 4 Ca 0.17 -0.42 0.07 0.00 -0.94 0.00 0.00 52.86 51.74 1s5d s ASN 4 Cb 0.13 0.66 0.56 0.00 -2.00 0.00 0.00 41.25 40.60 1s5d s ASN 4 CO 0.28 -1.18 1.77 -0.29 -2.94 0.00 0.00 177.10 174.75 1s5d h ILE 5 N 2.05 1.26 -0.35 0.54 2.10 -1.96 -1.99 117.51 119.15 1s5d h ILE 5 Ca -0.25 -1.25 -0.07 0.00 1.08 0.00 0.00 64.86 64.36 1s5d h ILE 5 Cb 1.27 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 1s5d h ILE 5 CO 0.30 0.38 -0.07 0.74 -1.08 0.00 0.00 178.15 178.42 1s5d h THR 6 N 0.23 1.28 -0.18 2.19 2.02 -1.99 -0.23 112.91 116.23 1s5d h THR 6 Ca 0.03 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.96 1s5d h THR 6 Cb 0.65 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1s5d h THR 6 CO 0.05 0.37 -0.46 0.44 0.37 0.00 0.00 175.52 176.29 1s5d h ASP 7 N 0.46 0.47 -0.24 4.18 3.32 -1.95 -2.48 116.42 120.19 1s5d h ASP 7 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1s5d h ASP 7 Cb 0.57 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1s5d h ASP 7 CO 0.03 0.86 0.10 0.25 -1.72 0.00 0.00 179.24 178.77 1s5d h LEU 8 N 0.36 0.33 -1.33 1.55 6.46 -1.21 -2.92 115.31 118.55 1s5d h LEU 8 Ca 0.02 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1s5d h LEU 8 Cb 0.94 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 1s5d h LEU 8 CO 0.08 0.39 0.48 0.00 -0.62 0.00 0.00 178.44 178.77 1s5d n ALA 10 N -2.43 1.62 1.01 0.00 0.00 -0.95 -2.14 120.51 117.61 1s5d n ALA 10 Ca 0.09 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1s5d n ALA 10 Cb 0.13 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 18.79 1s5d n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5d n GLU 11 N -2.14 0.21 -4.58 0.00 1.02 -0.55 -4.85 120.64 109.75 1s5d n GLU 11 Ca 0.02 0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 1s5d n GLU 11 Cb 0.21 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1s5d n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s5d s TYR 12 N -2.74 2.34 0.55 -0.32 1.51 -0.91 -5.13 117.35 112.65 1s5d s TYR 12 Ca 0.18 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.71 1s5d s TYR 12 Cb 0.16 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1s5d s TYR 12 CO 0.39 0.26 1.02 -1.01 -1.11 0.00 0.00 175.55 175.11 1s5d s HIS 13 N -0.97 3.23 -1.50 2.71 3.76 -1.26 -4.12 115.29 117.14 1s5d s HIS 13 Ca 0.14 1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 56.48 1s5d s HIS 13 Cb -0.10 -2.90 0.02 0.00 1.11 0.00 0.00 32.58 30.71 1s5d s HIS 13 CO 0.05 -0.74 0.52 0.09 -0.85 0.00 0.00 174.74 173.82 1s5d n ASN 14 N -1.81 -5.56 -4.61 1.40 5.03 -1.26 -4.95 115.26 103.50 1s5d n ASN 14 Ca 0.08 -0.27 -0.23 0.00 0.87 0.00 0.00 54.58 55.02 1s5d n ASN 14 Cb 0.53 -4.52 -0.08 0.00 -1.02 0.00 0.00 39.78 34.69 1s5d n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1s5d s THR 15 N -3.10 3.08 0.14 3.41 -4.23 -1.26 -0.55 115.64 113.13 1s5d s THR 15 Ca 0.29 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 1s5d s THR 15 Cb -0.14 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1s5d s THR 15 CO 0.36 -0.34 0.35 0.00 -0.54 0.00 0.00 174.62 174.45 1s5d s GLN 16 N -3.66 1.11 -0.13 3.99 -2.07 -0.04 -4.85 119.66 114.02 1s5d s GLN 16 Ca 0.32 -0.94 -0.11 0.00 -1.82 0.00 0.00 55.36 52.82 1s5d s GLN 16 Cb -0.05 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1s5d s GLN 16 CO 0.19 -0.42 0.22 0.42 -1.32 0.00 0.00 175.29 174.38 1s5d s ILE 17 N -3.88 5.36 -0.12 3.63 -1.09 -1.26 -1.08 121.20 122.75 1s5d s ILE 17 Ca 0.09 0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.90 1s5d s ILE 17 Cb 0.02 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1s5d s ILE 17 CO -0.06 0.52 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.07 1s5d s HIS 18 N -0.38 2.88 -0.32 3.97 3.76 0.27 -4.99 115.29 120.49 1s5d s HIS 18 Ca 0.15 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 1s5d s HIS 18 Cb -0.13 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1s5d s HIS 18 CO 0.04 -0.06 0.16 0.99 -0.85 0.00 0.00 174.74 175.02 1s5d s THR 19 N 0.13 4.52 -0.17 1.30 2.01 -1.26 -1.20 115.64 120.97 1s5d s THR 19 Ca -0.04 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 1s5d s THR 19 Cb -0.14 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1s5d s THR 19 CO 0.04 0.00 -0.23 0.18 -0.69 0.00 0.00 174.62 173.92 1s5d n LEU 20 N 4.97 1.29 -4.02 4.42 4.77 0.08 -5.02 117.00 123.49 1s5d n LEU 20 Ca -0.13 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 1s5d n LEU 20 Cb 0.48 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1s5d n LEU 20 CO 0.34 0.28 -0.28 0.59 -1.33 0.00 0.00 177.39 176.99 1s5d n ASN 21 N -3.83 -0.16 -3.66 -1.43 3.02 0.15 -4.95 115.26 104.40 1s5d n ASN 21 Ca -0.32 -1.06 -0.12 0.00 -0.03 0.00 0.00 54.58 53.05 1s5d n ASN 21 Cb 0.70 -2.77 -0.06 0.00 -0.61 0.00 0.00 39.78 37.05 1s5d n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s5d s ASP 22 N -4.36 -0.25 0.69 6.41 2.15 -0.84 -4.89 116.67 115.58 1s5d s ASP 22 Ca 0.01 -0.12 -0.11 0.00 0.43 0.00 0.00 52.55 52.76 1s5d s ASP 22 Cb -0.01 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 43.05 1s5d s ASP 22 CO 0.91 -0.72 1.06 -1.59 -0.17 0.00 0.00 175.17 174.65 1s5d s LYS 23 N -2.92 3.03 0.18 4.34 -2.85 -1.26 -0.67 119.74 119.58 1s5d s LYS 23 Ca -0.02 0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 55.49 1s5d s LYS 23 Cb 0.00 -2.01 -0.08 0.00 -2.06 0.00 0.00 37.83 33.68 1s5d s LYS 23 CO -0.06 -1.00 1.18 0.42 0.10 0.00 0.00 175.35 175.99 1s5d s ILE 24 N -3.11 3.66 -0.08 3.79 1.01 -1.26 -4.75 121.20 120.46 1s5d s ILE 24 Ca 0.57 1.39 -0.16 0.00 0.00 0.00 0.00 60.65 62.46 1s5d s ILE 24 Cb -0.13 -3.89 -0.29 0.00 0.01 0.00 0.00 42.46 38.16 1s5d s ILE 24 CO 0.54 0.22 0.65 0.15 0.00 0.00 0.00 174.94 176.51 1s5d h PHE 25 N 5.31 0.53 -3.85 3.97 3.57 -1.08 -3.48 116.94 121.90 1s5d h PHE 25 Ca -0.44 -0.39 -0.16 0.00 3.53 0.00 0.00 57.97 60.51 1s5d h PHE 25 Cb 1.21 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1s5d h PHE 25 CO 0.63 1.53 -0.63 -1.54 -2.23 0.00 0.00 178.31 176.07 1s5d s SER 26 N -7.09 0.19 -0.07 0.41 1.04 -0.93 -4.97 113.70 102.27 1s5d s SER 26 Ca -0.18 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1s5d s SER 26 Cb 0.04 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1s5d s SER 26 CO 0.80 -0.36 -0.07 -0.47 0.98 0.00 0.00 173.24 174.11 1s5d s TYR 27 N -1.71 1.17 -0.02 5.02 5.04 -1.26 -1.96 117.35 123.63 1s5d s TYR 27 Ca -0.13 -0.45 0.05 0.00 -2.44 0.00 0.00 57.07 54.10 1s5d s TYR 27 Cb -0.07 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.26 1s5d s TYR 27 CO -0.01 -0.31 -0.18 0.99 -1.34 0.00 0.00 175.55 174.69 1s5d s THR 28 N 1.13 1.45 0.00 4.34 2.01 0.35 -5.01 115.64 119.91 1s5d s THR 28 Ca -0.07 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1s5d s THR 28 Cb -0.14 -1.21 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1s5d s THR 28 CO -0.01 0.41 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.62 1s5d s GLU 29 N -0.34 0.11 -0.00 4.92 2.12 -1.26 -0.88 118.70 123.37 1s5d s GLU 29 Ca 0.05 -0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.34 1s5d s GLU 29 Cb -0.08 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1s5d s GLU 29 CO -0.00 0.02 -0.10 0.45 -0.54 0.00 0.00 175.26 175.09 1s5d s SER 30 N -0.11 1.14 0.00 -1.70 0.15 -0.54 -5.01 113.70 107.64 1s5d s SER 30 Ca -0.00 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.51 1s5d s SER 30 Cb -0.01 -0.12 0.17 0.00 -1.71 0.00 0.00 66.02 64.35 1s5d s SER 30 CO -0.00 0.10 1.14 0.00 1.20 0.00 0.00 173.24 175.68 1s5d n LEU 31 N 2.75 2.50 -4.78 3.45 -0.00 -1.26 -3.00 117.00 116.66 1s5d n LEU 31 Ca -0.14 -1.98 -0.41 0.00 -0.00 0.00 0.00 56.01 53.48 1s5d n LEU 31 Cb 0.57 -0.13 -0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1s5d n LEU 31 CO 0.25 0.62 1.12 0.00 -0.00 0.00 0.00 177.39 179.38 1s5d s ALA 32 N -0.99 3.57 0.21 1.47 0.00 -1.26 -4.84 121.76 119.91 1s5d s ALA 32 Ca 0.13 1.54 -0.32 0.00 0.00 0.00 0.00 51.96 53.31 1s5d s ALA 32 Cb 0.07 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 1s5d s ALA 32 CO 0.09 -1.02 1.69 0.41 0.00 0.00 0.00 175.76 176.93 1s5d n GLY 33 N 0.50 1.44 3.07 0.00 0.00 -1.26 -0.81 105.19 108.14 1s5d n GLY 33 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1s5d n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5d n LYS 34 N 3.74 -0.27 -2.38 1.61 4.76 -1.26 -4.83 118.16 119.52 1s5d n LYS 34 Ca 0.16 0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.59 1s5d n LYS 34 Cb 0.34 -3.48 0.04 0.00 -1.84 0.00 0.00 35.03 30.10 1s5d n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s5d n ARG 35 N -1.79 2.24 -2.53 1.97 5.12 0.01 -4.97 116.66 116.71 1s5d n ARG 35 Ca 0.00 -3.62 -0.41 0.00 -1.93 0.00 0.00 57.85 51.89 1s5d n ARG 35 Cb 0.07 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 1s5d n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1s5d s GLU 36 N -3.46 3.70 0.24 5.56 8.01 -1.17 -4.38 118.70 127.20 1s5d s GLU 36 Ca 0.36 -1.51 -0.05 0.00 0.01 0.00 0.00 54.97 53.78 1s5d s GLU 36 Cb 0.36 -5.43 -0.02 0.00 -4.31 0.00 0.00 34.13 24.73 1s5d s GLU 36 CO -0.02 -2.35 0.30 0.00 0.01 0.00 0.00 175.26 173.20 1s5d s MET 37 N 4.76 1.44 0.11 1.61 0.23 -1.16 -4.18 119.30 122.10 1s5d s MET 37 Ca 0.52 -1.53 0.08 0.00 -1.03 0.00 0.00 55.69 53.72 1s5d s MET 37 Cb 0.02 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1s5d s MET 37 CO -0.00 -0.54 -0.19 0.00 -2.03 0.00 0.00 175.02 172.25 1s5d s ALA 38 N -3.94 1.76 -0.03 3.16 0.00 -1.16 -1.46 121.76 120.09 1s5d s ALA 38 Ca 0.32 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1s5d s ALA 38 Cb 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1s5d s ALA 38 CO 0.13 0.31 -0.06 0.42 0.00 0.00 0.00 175.76 176.56 1s5d s ILE 39 N -1.36 0.53 0.12 0.00 1.01 -0.05 -1.23 121.20 120.21 1s5d s ILE 39 Ca 0.07 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.61 1s5d s ILE 39 Cb -0.09 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1s5d s ILE 39 CO 0.04 0.19 -0.22 0.27 0.00 0.00 0.00 174.94 175.22 1s5d s ILE 40 N 0.41 1.88 0.16 2.92 -4.36 0.12 -0.49 121.20 121.84 1s5d s ILE 40 Ca -0.05 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1s5d s ILE 40 Cb -0.09 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 1s5d s ILE 40 CO 0.00 -0.04 -0.12 0.42 0.24 0.00 0.00 174.94 175.45 1s5d s THR 41 N -1.20 1.36 0.37 8.37 -4.23 -0.83 -0.95 115.64 118.54 1s5d s THR 41 Ca 0.09 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1s5d s THR 41 Cb -0.10 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1s5d s THR 41 CO 0.05 -0.68 0.20 -0.36 -0.54 0.00 0.00 174.62 173.29 1s5d s PHE 42 N -3.16 2.69 0.53 3.99 0.40 0.22 -0.45 117.98 122.21 1s5d s PHE 42 Ca 0.18 -0.45 0.21 0.00 -0.60 0.00 0.00 56.93 56.27 1s5d s PHE 42 Cb 0.01 -1.82 1.45 0.00 0.51 0.00 0.00 43.02 43.17 1s5d s PHE 42 CO 0.03 0.21 2.17 1.57 0.70 0.00 0.00 175.22 179.90 1s5d h LYS 43 N 1.41 0.00 -0.67 0.44 2.10 -1.88 -1.53 116.57 116.44 1s5d h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1s5d h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1s5d h LYS 43 CO 0.64 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 1s5d n ASN 44 N -4.23 3.85 0.00 7.07 5.03 -1.26 -4.95 115.26 120.77 1s5d n ASN 44 Ca -0.03 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.42 1s5d n ASN 44 Cb 0.11 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 1s5d n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s5d n GLY 45 N 1.58 1.00 3.73 7.41 0.00 -0.57 -5.09 105.19 113.24 1s5d n GLY 45 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1s5d n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5d s ALA 46 N -2.00 3.80 -0.01 4.61 0.00 -1.25 -4.81 121.76 122.10 1s5d s ALA 46 Ca 0.00 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1s5d s ALA 46 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1s5d s ALA 46 CO 0.00 -0.86 -0.07 0.99 0.00 0.00 0.00 175.76 175.83 1s5d s THR 47 N 0.79 0.56 0.02 0.00 2.01 -1.26 -0.61 115.64 117.16 1s5d s THR 47 Ca 0.69 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 1s5d s THR 47 Cb -0.46 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1s5d s THR 47 CO 0.36 0.17 0.01 -0.36 -0.69 0.00 0.00 174.62 174.12 1s5d s PHE 48 N 0.03 0.24 0.23 4.92 0.08 -0.13 -3.94 117.98 119.43 1s5d s PHE 48 Ca -0.00 -0.52 0.11 0.00 0.12 0.00 0.00 56.93 56.65 1s5d s PHE 48 Cb -0.05 -0.18 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 1s5d s PHE 48 CO -0.00 -0.25 -0.22 1.14 -0.10 0.00 0.00 175.22 175.79 1s5d s GLN 49 N -1.85 1.58 -0.27 0.44 -2.07 -0.23 -0.70 119.66 116.55 1s5d s GLN 49 Ca -0.12 -1.63 -0.09 0.00 -1.82 0.00 0.00 55.36 51.70 1s5d s GLN 49 Cb -0.07 -1.77 -0.03 0.00 -1.09 0.00 0.00 33.01 30.06 1s5d s GLN 49 CO -0.02 0.36 0.12 0.08 -1.32 0.00 0.00 175.29 174.51 1s5d s VAL 50 N -2.11 4.68 0.66 3.63 1.01 -0.37 -0.72 120.40 127.19 1s5d s VAL 50 Ca 0.25 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 1s5d s VAL 50 Cb -0.06 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1s5d s VAL 50 CO 0.12 0.27 1.23 -1.61 0.00 0.00 0.00 175.10 175.11 1s5d s GLU 51 N 1.66 2.52 0.16 2.72 2.02 -1.26 -2.97 118.70 123.55 1s5d s GLU 51 Ca 0.06 1.86 -0.33 0.00 0.02 0.00 0.00 54.97 56.59 1s5d s GLU 51 Cb -0.16 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.08 1s5d s GLU 51 CO 0.06 -1.57 1.70 0.28 0.02 0.00 0.00 175.26 175.75 1s5d n VAL 52 N -2.15 0.11 -1.72 2.63 0.31 -1.26 -4.85 118.33 111.39 1s5d n VAL 52 Ca 0.14 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.03 1s5d n VAL 52 Cb 0.49 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1s5d n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1s5d n PRO 53 N 4.24 2.49 -1.74 5.55 -0.02 -1.26 -4.95 135.00 139.32 1s5d n PRO 53 Ca 0.17 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.52 1s5d n PRO 53 Cb 0.33 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1s5d n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5d n GLY 54 N 2.14 2.69 0.27 -1.23 0.00 -1.26 -5.03 105.19 102.76 1s5d n GLY 54 Ca 0.09 -1.31 0.18 0.00 0.00 0.00 0.00 46.02 44.99 1s5d n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s5d h SER 55 N 0.26 0.00 0.41 1.61 4.64 -2.02 -1.42 113.55 117.03 1s5d h SER 55 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1s5d h SER 55 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1s5d h SER 55 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1s5d n GLN 56 N -2.90 0.17 -4.62 4.77 0.00 -1.26 -4.75 117.38 108.79 1s5d n GLN 56 Ca -0.01 0.15 -0.33 0.00 0.00 0.00 0.00 57.00 56.81 1s5d n GLN 56 Cb 0.19 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.80 1s5d n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5d s HIS 57 N -2.71 2.90 0.68 2.61 3.76 -0.54 -5.12 115.29 116.88 1s5d s HIS 57 Ca 0.14 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 1s5d s HIS 57 Cb 0.12 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 1s5d s HIS 57 CO 0.28 -0.05 1.07 0.96 -0.85 0.00 0.00 174.74 176.15 1s5d s ILE 58 N 0.14 3.87 0.24 0.60 -4.36 -1.26 -4.86 121.20 115.57 1s5d s ILE 58 Ca -0.04 0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 60.88 1s5d s ILE 58 Cb -0.14 -3.60 0.23 0.00 1.25 0.00 0.00 42.46 40.20 1s5d s ILE 58 CO 0.04 -0.78 1.67 0.44 0.24 0.00 0.00 174.94 176.55 1s5d h ASP 59 N -0.53 -0.08 0.13 4.36 5.19 -2.00 0.22 116.42 123.71 1s5d h ASP 59 Ca -0.45 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1s5d h ASP 59 Cb 1.23 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.97 1s5d h ASP 59 CO 0.63 -0.07 -0.03 0.77 -3.12 0.00 0.00 179.24 177.42 1s5d h SER 60 N 0.22 0.00 0.80 6.45 4.64 -2.03 -2.17 113.55 121.46 1s5d h SER 60 Ca 0.40 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.48 1s5d h SER 60 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1s5d h SER 60 CO -0.53 0.03 -1.13 1.56 -0.87 0.00 0.00 176.83 175.89 1s5d h GLN 61 N 0.00 0.15 -0.67 4.77 4.20 -1.31 -3.25 115.11 119.00 1s5d h GLN 61 Ca -0.00 -0.25 0.09 0.00 0.06 0.00 0.00 58.65 58.55 1s5d h GLN 61 Cb 0.11 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 1s5d h GLN 61 CO 0.00 1.12 0.31 0.87 -0.67 0.00 0.00 178.83 180.46 1s5d h LYS 62 N 0.04 0.52 -0.58 1.46 6.56 -1.22 0.15 116.57 123.51 1s5d h LYS 62 Ca -0.08 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.41 1s5d h LYS 62 Cb 1.87 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 33.39 1s5d h LYS 62 CO 0.17 0.35 0.08 0.87 -2.06 0.00 0.00 179.45 178.85 1s5d h LYS 63 N 0.54 0.95 0.00 3.15 6.56 -1.65 -2.82 116.57 123.29 1s5d h LYS 63 Ca 0.33 -0.24 -0.11 0.00 -1.06 0.00 0.00 60.65 59.57 1s5d h LYS 63 Cb 0.35 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 1s5d h LYS 63 CO -0.27 0.89 -0.53 0.00 -2.06 0.00 0.00 179.45 177.47 1s5d h ALA 64 N 1.19 0.86 -0.56 3.86 0.00 -1.38 -2.47 119.26 120.75 1s5d h ALA 64 Ca 0.18 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1s5d h ALA 64 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1s5d h ALA 64 CO 0.01 0.66 0.25 0.82 0.00 0.00 0.00 179.25 180.99 1s5d h ILE 65 N 0.00 1.21 -0.61 0.00 2.04 -0.49 -0.40 117.51 119.26 1s5d h ILE 65 Ca -0.01 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 1s5d h ILE 65 Cb 1.14 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1s5d h ILE 65 CO 0.07 0.25 0.11 -0.33 0.00 0.00 0.00 178.15 178.25 1s5d h GLU 66 N 0.76 1.00 -0.59 2.37 4.39 -1.31 -2.06 114.58 119.14 1s5d h GLU 66 Ca 0.19 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1s5d h GLU 66 Cb 0.16 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1s5d h GLU 66 CO -0.02 0.93 0.35 -0.09 -1.16 0.00 0.00 179.01 179.02 1s5d h ARG 67 N 0.91 0.81 -0.62 2.33 2.43 -1.28 -2.68 114.38 116.28 1s5d h ARG 67 Ca 0.19 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1s5d h ARG 67 Cb 0.41 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1s5d h ARG 67 CO 0.01 0.59 0.28 1.98 -1.51 0.00 0.00 179.97 181.32 1s5d h MET 68 N 0.80 0.91 -0.82 0.20 4.05 -0.73 0.57 114.93 119.91 1s5d h MET 68 Ca 0.21 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1s5d h MET 68 Cb -0.00 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 1s5d h MET 68 CO -0.04 0.75 0.44 0.87 0.23 0.00 0.00 176.91 179.16 1s5d h LYS 69 N 0.86 1.15 -0.45 0.39 1.57 -1.29 -0.17 116.57 118.62 1s5d h LYS 69 Ca 0.21 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1s5d h LYS 69 Cb 0.15 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1s5d h LYS 69 CO -0.02 0.84 0.22 -0.44 -0.57 0.00 0.00 179.45 179.48 1s5d h ASP 70 N 1.15 0.59 -0.71 0.86 3.32 -1.06 -1.69 116.42 118.88 1s5d h ASP 70 Ca 0.29 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1s5d h ASP 70 Cb 0.04 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1s5d h ASP 70 CO -0.05 0.55 0.41 0.74 -1.72 0.00 0.00 179.24 179.17 1s5d h THR 71 N 0.59 0.99 -0.51 0.35 2.02 -0.14 0.15 112.91 116.36 1s5d h THR 71 Ca 0.16 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1s5d h THR 71 Cb 0.11 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1s5d h THR 71 CO -0.02 0.14 -0.14 -0.07 0.37 0.00 0.00 175.52 175.80 1s5d h LEU 72 N 0.75 1.01 -0.46 2.58 3.38 -0.89 0.39 115.31 122.07 1s5d h LEU 72 Ca 0.31 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1s5d h LEU 72 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1s5d h LEU 72 CO -0.17 1.14 0.21 -0.09 0.09 0.00 0.00 178.44 179.62 1s5d h ARG 73 N 0.87 0.67 -0.38 1.13 2.43 -0.77 -0.75 114.38 117.59 1s5d h ARG 73 Ca 0.13 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1s5d h ARG 73 Cb 0.71 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1s5d h ARG 73 CO 0.05 0.58 0.16 0.82 -1.51 0.00 0.00 179.97 180.08 1s5d h ILE 74 N 0.60 1.19 -0.71 1.20 2.04 -0.79 -1.10 117.51 119.94 1s5d h ILE 74 Ca 0.16 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1s5d h ILE 74 Cb 0.14 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1s5d h ILE 74 CO -0.02 0.20 0.40 0.00 0.00 0.00 0.00 178.15 178.74 1s5d h ALA 75 N 1.00 0.91 0.01 1.87 0.00 -0.79 -1.61 119.26 120.66 1s5d h ALA 75 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s5d h ALA 75 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s5d h ALA 75 CO -0.01 0.42 -0.01 -0.92 0.00 0.00 0.00 179.25 178.73 1s5d h TYR 76 N 0.98 -0.01 0.00 0.00 3.20 -0.83 -1.66 116.97 118.64 1s5d h TYR 76 Ca 0.25 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 1s5d h TYR 76 Cb 0.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1s5d h TYR 76 CO -0.01 0.08 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.23 1s5d h LEU 77 N -0.10 0.00 -1.05 2.82 3.38 -0.96 -2.66 115.31 116.73 1s5d h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s5d h LEU 77 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1s5d h LEU 77 CO 0.00 0.29 -0.08 0.35 0.09 0.00 0.00 178.44 179.10 1s5d n THR 78 N -3.98 0.00 -3.18 0.22 -2.24 -0.63 -4.95 114.28 99.53 1s5d n THR 78 Ca -0.02 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1s5d n THR 78 Cb 0.36 0.71 0.01 0.00 -2.10 0.00 0.00 70.33 69.32 1s5d n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5d n GLU 79 N 0.22 -4.05 -2.34 -0.78 1.02 -0.70 -4.93 120.64 109.08 1s5d n GLU 79 Ca 0.16 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 1s5d n GLU 79 Cb 0.41 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.34 1s5d n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5d s ALA 80 N -3.03 3.45 -0.01 0.62 0.00 -0.73 -4.77 121.76 117.29 1s5d s ALA 80 Ca 0.34 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1s5d s ALA 80 Cb -0.17 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1s5d s ALA 80 CO 0.42 -0.39 1.27 0.15 0.00 0.00 0.00 175.76 177.21 1s5d s LYS 81 N -0.58 4.34 -0.10 0.00 1.02 -1.26 -4.29 119.74 118.87 1s5d s LYS 81 Ca 0.52 1.80 -0.26 0.00 0.02 0.00 0.00 55.97 58.05 1s5d s LYS 81 Cb -0.34 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.44 1s5d s LYS 81 CO 0.39 -0.45 0.82 0.08 -0.92 0.00 0.00 175.35 175.28 1s5d s VAL 82 N 2.01 4.93 -0.01 3.17 1.01 0.16 -4.28 120.40 127.39 1s5d s VAL 82 Ca 0.59 1.67 -0.00 0.00 0.00 0.00 0.00 61.98 64.24 1s5d s VAL 82 Cb -0.28 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1s5d s VAL 82 CO 0.25 0.12 -0.00 -0.08 0.00 0.00 0.00 175.10 175.39 1s5d h GLU 83 N 7.04 0.00 -5.20 2.72 4.81 -1.14 0.63 114.58 123.43 1s5d h GLU 83 Ca -0.35 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.50 1s5d h GLU 83 Cb 1.17 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.36 1s5d h GLU 83 CO 0.79 0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.47 1s5d s LYS 84 N -1.05 0.88 -0.06 1.92 1.02 -1.14 -0.74 119.74 120.57 1s5d s LYS 84 Ca -0.00 -1.11 0.06 0.00 0.02 0.00 0.00 55.97 54.93 1s5d s LYS 84 Cb 0.00 -0.73 -0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1s5d s LYS 84 CO 0.00 0.14 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.82 1s5d s LEU 85 N -2.22 2.05 -0.17 3.17 1.43 -0.34 -1.05 118.68 121.55 1s5d s LEU 85 Ca 0.04 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1s5d s LEU 85 Cb -0.06 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1s5d s LEU 85 CO 0.02 0.22 0.33 0.00 0.23 0.00 0.00 176.35 177.14 1s5d s VAL 87 N 0.73 0.65 -0.12 0.00 -7.23 -0.24 -0.07 120.40 114.12 1s5d s VAL 87 Ca 0.17 -1.68 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 1s5d s VAL 87 Cb -0.14 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1s5d s VAL 87 CO 0.05 -0.73 0.68 0.26 -0.31 0.00 0.00 175.10 175.06 1s5d s TRP 88 N -2.95 3.49 -2.05 2.82 0.51 0.59 -0.86 118.94 120.49 1s5d s TRP 88 Ca 0.05 1.12 0.21 0.00 -2.12 0.00 0.00 56.10 55.37 1s5d s TRP 88 Cb 0.01 -2.81 0.58 0.00 -0.81 0.00 0.00 33.47 30.44 1s5d s TRP 88 CO -0.03 -0.03 1.49 0.27 -0.51 0.00 0.00 176.95 178.14 1s5d n ASN 89 N 4.34 3.54 -1.90 2.95 0.23 0.29 -2.15 115.26 122.56 1s5d n ASN 89 Ca -0.01 -1.99 0.06 0.00 -0.53 0.00 0.00 54.58 52.10 1s5d n ASN 89 Cb 0.51 -0.42 0.39 0.00 -2.08 0.00 0.00 39.78 38.18 1s5d n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1s5d n ASN 90 N 1.44 5.63 -4.20 0.53 6.94 -1.26 -4.87 115.26 119.48 1s5d n ASN 90 Ca 0.22 -2.95 -0.17 0.00 -0.02 0.00 0.00 54.58 51.66 1s5d n ASN 90 Cb 0.56 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1s5d n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1s5d s LYS 91 N -2.77 0.89 -0.12 -3.83 -0.14 -1.25 -5.09 119.74 107.44 1s5d s LYS 91 Ca 0.54 -1.12 -0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1s5d s LYS 91 Cb 0.41 -0.75 0.03 0.00 -1.68 0.00 0.00 37.83 35.85 1s5d s LYS 91 CO 0.16 0.14 -0.04 0.99 -0.76 0.00 0.00 175.35 175.84 1s5d s THR 92 N -1.95 0.82 0.86 2.17 2.01 -1.26 -2.79 115.64 115.50 1s5d s THR 92 Ca 0.04 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 1s5d s THR 92 Cb -0.06 -0.94 0.11 0.00 0.01 0.00 0.00 72.50 71.62 1s5d s THR 92 CO 0.02 0.25 1.13 -2.84 -0.69 0.00 0.00 174.62 172.48 1s5d s PRO 93 N 1.78 1.44 0.26 4.92 0.02 -1.26 -5.07 135.00 137.09 1s5d s PRO 93 Ca 0.04 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 62.20 1s5d s PRO 93 Cb -0.13 -1.78 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 1s5d s PRO 93 CO -0.07 -2.30 1.08 0.72 -0.33 0.00 0.00 177.00 176.10 1s5d n HIS 94 N -3.96 1.37 -3.65 6.54 8.25 -1.12 -4.47 115.22 118.19 1s5d n HIS 94 Ca 0.11 0.67 -0.37 0.00 -0.26 0.00 0.00 57.72 57.87 1s5d n HIS 94 Cb 0.52 -2.28 -0.10 0.00 1.12 0.00 0.00 29.99 29.25 1s5d n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5d s ALA 95 N -0.77 3.56 0.13 -1.41 0.00 -0.91 -1.07 121.76 121.28 1s5d s ALA 95 Ca 0.63 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 1s5d s ALA 95 Cb -0.73 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1s5d s ALA 95 CO 0.57 -0.33 1.42 0.42 0.00 0.00 0.00 175.76 177.84 1s5d s ILE 96 N 1.33 3.19 -0.12 0.00 1.01 0.11 -0.30 121.20 126.41 1s5d s ILE 96 Ca 0.07 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.66 1s5d s ILE 96 Cb -0.14 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 1s5d s ILE 96 CO 0.07 0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1s5d n ALA 97 N 3.90 1.71 -3.41 9.38 0.00 0.90 -4.85 120.51 128.14 1s5d n ALA 97 Ca 0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1s5d n ALA 97 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1s5d n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5d s ALA 98 N -2.28 -1.58 0.01 0.00 0.00 -0.84 -4.97 121.76 112.11 1s5d s ALA 98 Ca -0.09 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1s5d s ALA 98 Cb 0.04 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1s5d s ALA 98 CO 0.44 -0.74 -0.05 -1.50 0.00 0.00 0.00 175.76 173.92 1s5d s ILE 99 N -3.58 0.34 0.05 0.00 2.07 -1.26 -1.15 121.20 117.66 1s5d s ILE 99 Ca 0.00 -0.47 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 1s5d s ILE 99 Cb -0.01 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1s5d s ILE 99 CO -0.11 -0.10 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.68 1s5d s SER 100 N -0.61 2.41 -0.06 4.50 1.04 -0.21 -4.99 113.70 115.77 1s5d s SER 100 Ca -0.03 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1s5d s SER 100 Cb -0.05 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.89 1s5d s SER 100 CO -0.00 0.15 -0.14 -0.04 0.98 0.00 0.00 173.24 174.19 1s5d s MET 101 N -1.20 1.69 -0.04 4.02 -1.94 -1.26 -0.60 119.30 119.95 1s5d s MET 101 Ca 0.07 -0.47 -0.10 0.00 -1.71 0.00 0.00 55.69 53.48 1s5d s MET 101 Cb -0.09 -1.42 0.02 0.00 2.01 0.00 0.00 34.83 35.35 1s5d s MET 101 CO 0.02 0.10 0.23 0.00 -0.01 0.00 0.00 175.02 175.36 1s5d s ALA 102 N 0.44 -0.58 0.00 3.03 0.00 -1.26 -4.92 121.76 118.47 1s5d s ALA 102 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1s5d s ALA 102 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1s5d s ALA 102 CO 0.03 -0.18 0.00 0.09 0.00 0.00 0.00 175.76 175.70