#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5c s PRO 2 N 0.00 3.84 0.00 -2.82 0.04 -1.26 -4.96 135.00 129.83 1s5c s PRO 2 Ca 0.00 1.76 0.21 0.00 0.04 0.00 0.00 61.00 63.01 1s5c s PRO 2 Cb 0.00 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.14 1s5c s PRO 2 CO 0.00 -0.48 1.09 1.04 0.04 0.00 0.00 177.00 178.68 1s5c n GLN 3 N -0.37 1.60 -3.77 4.56 6.02 -1.26 -4.94 117.38 119.21 1s5c n GLN 3 Ca 0.07 -1.25 -0.10 0.00 -0.01 0.00 0.00 57.00 55.70 1s5c n GLN 3 Cb 0.48 -1.42 0.02 0.00 1.02 0.00 0.00 30.24 30.33 1s5c n GLN 3 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1s5c n ASN 4 N 0.40 -2.07 -0.03 1.08 0.23 -1.26 -5.08 115.26 108.53 1s5c n ASN 4 Ca 0.10 -2.63 -0.15 0.00 -0.53 0.00 0.00 54.58 51.37 1s5c n ASN 4 Cb 0.48 3.50 -0.04 0.00 -2.08 0.00 0.00 39.78 41.64 1s5c n ASN 4 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1s5c h ILE 5 N 1.98 1.29 -0.39 1.53 2.10 -1.95 -2.70 117.51 119.37 1s5c h ILE 5 Ca -0.32 -1.88 -0.01 0.00 1.08 0.00 0.00 64.86 63.73 1s5c h ILE 5 Cb 1.21 1.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.76 1s5c h ILE 5 CO 0.41 0.60 0.22 0.74 -1.08 0.00 0.00 178.15 179.04 1s5c h THR 6 N 0.56 1.14 -0.11 2.19 2.02 -1.98 0.58 112.91 117.31 1s5c h THR 6 Ca -0.02 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 1s5c h THR 6 Cb 1.28 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1s5c h THR 6 CO 0.14 0.15 -0.67 0.44 0.37 0.00 0.00 175.52 175.95 1s5c h ASP 7 N 0.50 0.54 -0.36 4.18 3.32 -1.99 -2.24 116.42 120.37 1s5c h ASP 7 Ca 0.14 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1s5c h ASP 7 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1s5c h ASP 7 CO -0.02 1.06 0.18 0.25 -1.72 0.00 0.00 179.24 178.98 1s5c h LEU 8 N 0.33 0.47 -1.37 1.55 6.46 -1.33 -3.19 115.31 118.23 1s5c h LEU 8 Ca -0.02 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1s5c h LEU 8 Cb 1.23 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 1s5c h LEU 8 CO 0.12 0.46 0.11 0.00 -0.62 0.00 0.00 178.44 178.51 1s5c n ALA 10 N -2.48 2.01 0.49 0.00 0.00 -0.86 -2.41 120.51 117.26 1s5c n ALA 10 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1s5c n ALA 10 Cb 0.17 -1.39 0.43 0.00 0.00 0.00 0.00 19.45 18.66 1s5c n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5c n GLU 11 N -1.82 0.12 -5.04 0.00 1.02 -1.04 -4.82 120.64 109.06 1s5c n GLU 11 Ca 0.05 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1s5c n GLU 11 Cb 0.29 -1.71 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 1s5c n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s5c s TYR 12 N -3.17 2.62 0.49 -0.32 1.51 -1.01 -5.11 117.35 112.36 1s5c s TYR 12 Ca 0.06 -0.61 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 1s5c s TYR 12 Cb 0.10 -1.69 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1s5c s TYR 12 CO 0.38 -0.15 1.04 -3.38 -1.11 0.00 0.00 175.55 172.32 1s5c s HIS 13 N -0.09 3.01 -1.53 2.71 -3.43 -1.26 -3.62 115.29 111.09 1s5c s HIS 13 Ca -0.04 1.57 -0.14 0.00 -0.80 0.00 0.00 55.06 55.65 1s5c s HIS 13 Cb -0.14 -3.05 0.10 0.00 -1.43 0.00 0.00 32.58 28.05 1s5c s HIS 13 CO 0.04 -0.83 0.84 0.09 -2.00 0.00 0.00 174.74 172.88 1s5c n ASN 14 N -1.05 -4.39 -4.80 7.38 5.03 -1.26 -4.97 115.26 111.19 1s5c n ASN 14 Ca 0.09 -0.73 -0.22 0.00 0.87 0.00 0.00 54.58 54.59 1s5c n ASN 14 Cb 0.53 -3.54 -0.05 0.00 -1.02 0.00 0.00 39.78 35.69 1s5c n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1s5c s THR 15 N -3.22 3.32 -0.05 3.41 -4.23 -1.24 -2.23 115.64 111.40 1s5c s THR 15 Ca 0.62 -1.52 -0.23 0.00 -1.18 0.00 0.00 61.69 59.38 1s5c s THR 15 Cb -0.32 -3.09 0.05 0.00 1.34 0.00 0.00 72.50 70.48 1s5c s THR 15 CO 0.77 -0.18 0.51 0.00 -0.54 0.00 0.00 174.62 175.17 1s5c s GLN 16 N -3.92 0.84 -0.05 3.99 -2.07 -0.74 -4.89 119.66 112.82 1s5c s GLN 16 Ca 0.39 0.14 -0.28 0.00 -1.82 0.00 0.00 55.36 53.79 1s5c s GLN 16 Cb -0.04 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.24 1s5c s GLN 16 CO 0.25 -0.24 0.89 0.42 -1.32 0.00 0.00 175.29 175.29 1s5c s ILE 17 N -1.06 4.91 -0.26 3.63 -1.09 -1.26 -2.51 121.20 123.55 1s5c s ILE 17 Ca -0.11 1.84 -0.08 0.00 -2.23 0.00 0.00 60.65 60.07 1s5c s ILE 17 Cb -0.03 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1s5c s ILE 17 CO 0.06 0.15 0.11 -1.00 -1.23 0.00 0.00 174.94 173.03 1s5c s HIS 18 N 1.24 3.13 -0.43 3.97 3.76 -0.22 -4.98 115.29 121.75 1s5c s HIS 18 Ca 0.46 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.92 1s5c s HIS 18 Cb -0.19 -2.28 0.04 0.00 1.11 0.00 0.00 32.58 31.25 1s5c s HIS 18 CO 0.22 -0.32 0.33 0.99 -0.85 0.00 0.00 174.74 175.11 1s5c s THR 19 N 1.65 5.24 -0.20 1.30 2.01 -1.26 -1.59 115.64 122.78 1s5c s THR 19 Ca 0.06 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1s5c s THR 19 Cb -0.15 -3.99 -0.17 0.00 0.01 0.00 0.00 72.50 68.20 1s5c s THR 19 CO 0.06 -0.40 -0.10 0.18 -0.69 0.00 0.00 174.62 173.67 1s5c n LEU 20 N 5.17 1.83 -3.89 4.42 7.99 -0.75 -5.02 117.00 126.76 1s5c n LEU 20 Ca -0.11 -0.07 -0.28 0.00 -0.01 0.00 0.00 56.01 55.53 1s5c n LEU 20 Cb 0.46 -0.31 -0.01 0.00 -0.11 0.00 0.00 43.42 43.44 1s5c n LEU 20 CO 0.43 0.70 -0.19 0.59 -1.51 0.00 0.00 177.39 177.42 1s5c n ASN 21 N -2.95 -1.57 -3.73 -1.43 3.02 -0.31 -4.94 115.26 103.35 1s5c n ASN 21 Ca -0.35 -0.88 -0.12 0.00 -0.03 0.00 0.00 54.58 53.20 1s5c n ASN 21 Cb 0.97 -1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 1s5c n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s5c s ASP 22 N -3.99 -0.17 0.61 6.41 2.15 -1.08 -4.84 116.67 115.77 1s5c s ASP 22 Ca 0.22 -0.11 -0.17 0.00 0.43 0.00 0.00 52.55 52.92 1s5c s ASP 22 Cb -0.12 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 42.85 1s5c s ASP 22 CO 0.66 -0.61 1.12 -1.59 -0.17 0.00 0.00 175.17 174.58 1s5c s LYS 23 N -2.42 3.02 0.08 4.34 -2.85 -1.26 -1.39 119.74 119.25 1s5c s LYS 23 Ca -0.06 1.48 -0.31 0.00 -1.00 0.00 0.00 55.97 56.09 1s5c s LYS 23 Cb -0.01 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.71 1s5c s LYS 23 CO -0.02 -1.09 1.56 0.42 0.10 0.00 0.00 175.35 176.32 1s5c s ILE 24 N -2.11 3.13 0.03 3.79 1.01 -1.26 -4.72 121.20 121.07 1s5c s ILE 24 Ca 0.69 0.65 -0.23 0.00 0.00 0.00 0.00 60.65 61.76 1s5c s ILE 24 Cb -0.22 -3.41 -0.16 0.00 0.01 0.00 0.00 42.46 38.68 1s5c s ILE 24 CO 0.36 0.01 1.40 0.15 0.00 0.00 0.00 174.94 176.86 1s5c h PHE 25 N 7.83 0.20 -3.62 3.97 3.57 -1.38 -3.47 116.94 124.04 1s5c h PHE 25 Ca -0.42 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 60.87 1s5c h PHE 25 Cb 1.20 -0.05 -0.22 0.00 2.79 0.00 0.00 35.95 39.67 1s5c h PHE 25 CO 0.74 0.51 -0.57 -1.54 -2.23 0.00 0.00 178.31 175.22 1s5c s SER 26 N -5.77 0.04 -0.14 0.41 1.04 -1.19 -4.97 113.70 103.11 1s5c s SER 26 Ca -0.15 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1s5c s SER 26 Cb 0.04 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1s5c s SER 26 CO 0.71 -0.26 -0.16 -0.47 0.98 0.00 0.00 173.24 174.03 1s5c s TYR 27 N -1.02 2.27 0.10 5.02 5.04 -1.26 -1.97 117.35 125.53 1s5c s TYR 27 Ca -0.11 -1.24 0.07 0.00 -2.44 0.00 0.00 57.07 53.36 1s5c s TYR 27 Cb -0.06 -1.63 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 1s5c s TYR 27 CO 0.01 -0.64 -0.13 0.99 -1.34 0.00 0.00 175.55 174.43 1s5c s THR 28 N 1.28 3.18 -0.14 4.34 2.01 -0.01 -4.99 115.64 121.33 1s5c s THR 28 Ca 0.01 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 1s5c s THR 28 Cb -0.14 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 69.95 1s5c s THR 28 CO -0.08 0.15 0.36 -0.70 -0.69 0.00 0.00 174.62 173.65 1s5c s GLU 29 N -2.07 0.42 -0.01 4.92 2.12 -1.26 -1.33 118.70 121.48 1s5c s GLU 29 Ca 0.20 0.51 0.02 0.00 0.36 0.00 0.00 54.97 56.06 1s5c s GLU 29 Cb -0.11 0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.47 1s5c s GLU 29 CO 0.12 -0.06 -0.06 0.45 -0.54 0.00 0.00 175.26 175.17 1s5c s SER 30 N 0.25 0.81 0.00 -1.70 0.15 -0.53 -5.01 113.70 107.68 1s5c s SER 30 Ca -0.00 -0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.61 1s5c s SER 30 Cb -0.03 -0.14 0.25 0.00 -1.71 0.00 0.00 66.02 64.38 1s5c s SER 30 CO -0.00 0.06 1.19 0.00 1.20 0.00 0.00 173.24 175.69 1s5c n LEU 31 N 3.09 2.73 -4.76 3.45 -0.00 -1.26 -2.71 117.00 117.53 1s5c n LEU 31 Ca -0.15 -1.95 -0.36 0.00 -0.00 0.00 0.00 56.01 53.55 1s5c n LEU 31 Cb 0.57 -0.18 0.01 0.00 -0.00 0.00 0.00 43.42 43.81 1s5c n LEU 31 CO 0.25 0.68 0.84 0.00 -0.00 0.00 0.00 177.39 179.15 1s5c s ALA 32 N -0.99 2.74 0.20 1.47 0.00 -1.26 -4.80 121.76 119.12 1s5c s ALA 32 Ca 0.19 0.97 -0.32 0.00 0.00 0.00 0.00 51.96 52.80 1s5c s ALA 32 Cb 0.10 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1s5c s ALA 32 CO 0.13 -0.93 1.72 0.41 0.00 0.00 0.00 175.76 177.10 1s5c n GLY 33 N 0.42 1.52 2.88 0.00 0.00 -1.26 -0.80 105.19 107.95 1s5c n GLY 33 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1s5c n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5c n LYS 34 N 4.07 -0.79 -2.66 1.61 4.01 -1.26 -4.85 118.16 118.28 1s5c n LYS 34 Ca 0.16 0.20 -0.08 0.00 -0.51 0.00 0.00 58.31 58.08 1s5c n LYS 34 Cb 0.35 -3.99 0.04 0.00 -0.51 0.00 0.00 35.03 30.91 1s5c n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1s5c n ARG 35 N -1.11 1.89 -2.74 1.97 5.12 0.02 -5.00 116.66 116.82 1s5c n ARG 35 Ca 0.00 -3.58 -0.43 0.00 -1.93 0.00 0.00 57.85 51.91 1s5c n ARG 35 Cb 0.20 -1.62 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 1s5c n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1s5c s GLU 36 N -3.55 3.77 0.22 5.56 8.01 -1.18 -4.16 118.70 127.37 1s5c s GLU 36 Ca 0.31 -1.75 -0.10 0.00 0.01 0.00 0.00 54.97 53.45 1s5c s GLU 36 Cb 0.38 -5.21 -0.01 0.00 -4.31 0.00 0.00 34.13 24.98 1s5c s GLU 36 CO -0.02 -2.01 0.37 0.00 0.01 0.00 0.00 175.26 173.61 1s5c s MET 37 N 3.54 1.38 0.21 1.61 0.23 -1.10 -4.45 119.30 120.73 1s5c s MET 37 Ca 0.43 -1.30 0.08 0.00 -1.03 0.00 0.00 55.69 53.88 1s5c s MET 37 Cb -0.01 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1s5c s MET 37 CO -0.04 -0.54 -0.15 0.00 -2.03 0.00 0.00 175.02 172.26 1s5c s ALA 38 N -4.03 2.08 -0.18 3.16 0.00 -1.19 -1.46 121.76 120.14 1s5c s ALA 38 Ca 0.24 -1.68 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1s5c s ALA 38 Cb 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.13 1s5c s ALA 38 CO 0.07 0.09 0.33 0.42 0.00 0.00 0.00 175.76 176.67 1s5c s ILE 39 N -2.93 -0.52 0.17 0.00 1.01 -0.44 -1.73 121.20 116.75 1s5c s ILE 39 Ca 0.23 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1s5c s ILE 39 Cb -0.01 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1s5c s ILE 39 CO 0.08 0.02 0.15 0.27 0.00 0.00 0.00 174.94 175.46 1s5c s ILE 40 N 2.50 4.54 0.33 2.92 -4.36 0.57 -0.83 121.20 126.87 1s5c s ILE 40 Ca 0.03 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.39 1s5c s ILE 40 Cb -0.13 -3.33 -0.06 0.00 1.25 0.00 0.00 42.46 40.19 1s5c s ILE 40 CO -0.12 -0.12 0.04 0.42 0.24 0.00 0.00 174.94 175.40 1s5c s THR 41 N -1.78 1.31 0.22 8.37 -4.23 -0.83 -1.44 115.64 117.25 1s5c s THR 41 Ca 0.31 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1s5c s THR 41 Cb -0.10 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 1s5c s THR 41 CO 0.24 -0.03 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.84 1s5c s PHE 42 N -3.21 1.65 0.16 3.99 0.40 -0.76 -0.99 117.98 119.21 1s5c s PHE 42 Ca 0.36 -0.71 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 1s5c s PHE 42 Cb 0.08 -0.86 0.21 0.00 0.51 0.00 0.00 43.02 42.96 1s5c s PHE 42 CO 0.15 0.21 0.99 1.63 0.70 0.00 0.00 175.22 178.90 1s5c n LYS 43 N -0.40 -0.11 0.00 0.44 5.02 -1.26 -1.45 118.16 120.40 1s5c n LYS 43 Ca -0.07 0.98 0.09 0.00 -2.02 0.00 0.00 58.31 57.29 1s5c n LYS 43 Cb 0.62 -1.46 0.53 0.00 -0.02 0.00 0.00 35.03 34.69 1s5c n LYS 43 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1s5c n ASN 44 N -4.98 0.00 0.00 4.39 6.94 -1.26 -4.87 115.26 115.49 1s5c n ASN 44 Ca 0.08 -1.23 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 1s5c n ASN 44 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1s5c n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s5c n GLY 45 N 0.63 2.04 3.63 4.83 0.00 -0.53 -5.05 105.19 110.75 1s5c n GLY 45 Ca 0.13 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 1s5c n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5c n ALA 46 N -1.90 -0.34 -3.30 4.61 0.00 -1.26 -4.77 120.51 113.55 1s5c n ALA 46 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1s5c n ALA 46 Cb 0.00 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.12 1s5c n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s5c s THR 47 N 1.33 1.05 0.05 0.00 2.01 -1.26 -1.83 115.64 116.98 1s5c s THR 47 Ca 0.87 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1s5c s THR 47 Cb -0.92 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1s5c s THR 47 CO 0.49 0.33 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.36 1s5c s PHE 48 N 0.48 0.49 0.01 4.92 0.08 -0.52 -3.88 117.98 119.56 1s5c s PHE 48 Ca -0.10 -1.01 0.01 0.00 0.12 0.00 0.00 56.93 55.96 1s5c s PHE 48 Cb -0.13 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.94 1s5c s PHE 48 CO 0.02 -0.36 -0.05 1.14 -0.10 0.00 0.00 175.22 175.88 1s5c s GLN 49 N -3.63 0.35 -0.18 0.44 -2.07 -0.85 -0.32 119.66 113.40 1s5c s GLN 49 Ca 0.04 -0.29 -0.22 0.00 -1.82 0.00 0.00 55.36 53.07 1s5c s GLN 49 Cb 0.06 -0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 31.69 1s5c s GLN 49 CO -0.09 0.06 0.69 0.08 -1.32 0.00 0.00 175.29 174.72 1s5c s VAL 50 N -0.45 4.98 0.73 3.63 1.01 -0.71 -1.53 120.40 128.06 1s5c s VAL 50 Ca -0.02 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 1s5c s VAL 50 Cb -0.04 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1s5c s VAL 50 CO -0.00 0.10 1.16 -1.61 0.00 0.00 0.00 175.10 174.74 1s5c s GLU 51 N 1.89 2.25 0.20 2.72 2.02 -1.26 -3.18 118.70 123.34 1s5c s GLU 51 Ca 0.32 1.56 -0.31 0.00 0.02 0.00 0.00 54.97 56.56 1s5c s GLU 51 Cb -0.16 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1s5c s GLU 51 CO 0.11 -1.71 1.55 0.08 0.02 0.00 0.00 175.26 175.32 1s5c s VAL 52 N -2.26 2.51 -0.13 2.63 1.01 -1.26 -4.86 120.40 118.05 1s5c s VAL 52 Ca 0.70 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 1s5c s VAL 52 Cb -0.24 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1s5c s VAL 52 CO 0.46 0.04 2.00 -2.16 0.00 0.00 0.00 175.10 175.45 1s5c s PRO 53 N 0.57 3.64 0.00 2.72 0.04 -1.26 -4.90 135.00 135.80 1s5c s PRO 53 Ca 0.67 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1s5c s PRO 53 Cb -0.44 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1s5c s PRO 53 CO 0.36 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1s5c n GLY 54 N 5.09 5.37 0.24 0.56 0.00 -1.26 -5.07 105.19 110.12 1s5c n GLY 54 Ca 0.24 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.35 1s5c n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s5c h SER 55 N 0.00 0.00 0.49 1.61 0.02 -2.02 -3.02 113.55 110.63 1s5c h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s5c h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s5c h SER 55 CO 0.00 0.05 -0.02 0.00 -1.14 0.00 0.00 176.83 175.72 1s5c n GLN 56 N -3.13 0.51 -4.59 3.45 0.00 -1.26 -4.85 117.38 107.51 1s5c n GLN 56 Ca 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 57.00 56.66 1s5c n GLN 56 Cb 0.45 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.05 1s5c n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5c s HIS 57 N -2.51 2.81 0.93 2.61 3.76 -1.14 -5.13 115.29 116.62 1s5c s HIS 57 Ca 0.30 -0.84 -0.14 0.00 -0.15 0.00 0.00 55.06 54.23 1s5c s HIS 57 Cb 0.20 -1.89 0.16 0.00 1.11 0.00 0.00 32.58 32.17 1s5c s HIS 57 CO 0.46 -0.35 1.20 0.96 -0.85 0.00 0.00 174.74 176.15 1s5c s ILE 58 N 0.65 1.95 0.13 0.60 -4.36 -1.26 -4.85 121.20 114.05 1s5c s ILE 58 Ca -0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.17 1s5c s ILE 58 Cb -0.16 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.68 1s5c s ILE 58 CO 0.02 0.00 1.59 0.44 0.24 0.00 0.00 174.94 177.23 1s5c h ASP 59 N -1.56 0.67 -0.16 4.36 3.32 -2.00 -1.38 116.42 119.67 1s5c h ASP 59 Ca -0.47 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 56.34 1s5c h ASP 59 Cb 1.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1s5c h ASP 59 CO 0.53 0.79 0.12 0.77 -1.72 0.00 0.00 179.24 179.73 1s5c h SER 60 N 0.53 0.00 0.54 6.45 4.64 -2.02 -2.10 113.55 121.58 1s5c h SER 60 Ca 0.12 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1s5c h SER 60 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1s5c h SER 60 CO 0.01 0.00 -0.59 -0.61 -0.87 0.00 0.00 176.83 174.77 1s5c h GLN 61 N 0.00 0.05 -0.37 4.77 4.15 -1.62 -3.11 115.11 118.98 1s5c h GLN 61 Ca 0.08 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 1s5c h GLN 61 Cb 0.32 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1s5c h GLN 61 CO -0.00 0.63 -0.36 0.87 -1.93 0.00 0.00 178.83 178.03 1s5c h LYS 62 N 0.04 0.88 -0.34 1.69 1.57 -1.03 -0.60 116.57 118.78 1s5c h LYS 62 Ca -0.01 -0.45 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1s5c h LYS 62 Cb 1.05 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 1s5c h LYS 62 CO 0.08 1.09 0.05 -0.22 -0.57 0.00 0.00 179.45 179.88 1s5c h LYS 63 N 0.73 0.16 0.00 3.15 3.64 -1.59 -2.73 116.57 119.93 1s5c h LYS 63 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1s5c h LYS 63 Cb 0.94 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1s5c h LYS 63 CO 0.09 0.10 -0.09 0.00 -2.27 0.00 0.00 179.45 177.28 1s5c h ALA 64 N 1.27 0.96 -0.17 5.00 0.00 -1.45 -2.49 119.26 122.38 1s5c h ALA 64 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1s5c h ALA 64 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1s5c h ALA 64 CO -0.23 0.11 -0.08 0.82 0.00 0.00 0.00 179.25 179.87 1s5c h ILE 65 N 0.00 1.31 -0.65 0.00 2.04 -0.92 -1.23 117.51 118.06 1s5c h ILE 65 Ca -0.00 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1s5c h ILE 65 Cb 0.88 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1s5c h ILE 65 CO 0.01 0.33 0.37 -0.33 0.00 0.00 0.00 178.15 178.53 1s5c h GLU 66 N 0.04 0.88 -0.39 2.37 4.39 -1.29 -2.20 114.58 118.39 1s5c h GLU 66 Ca 0.04 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1s5c h GLU 66 Cb 0.55 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1s5c h GLU 66 CO 0.02 0.63 -0.21 -0.09 -1.16 0.00 0.00 179.01 178.21 1s5c h ARG 67 N 0.89 0.76 -0.47 2.33 2.43 -1.31 -2.65 114.38 116.36 1s5c h ARG 67 Ca 0.23 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 1s5c h ARG 67 Cb -0.01 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1s5c h ARG 67 CO -0.04 0.90 -0.17 1.98 -1.51 0.00 0.00 179.97 181.14 1s5c h MET 68 N 0.66 0.92 -0.38 0.20 4.05 -0.64 -0.05 114.93 119.68 1s5c h MET 68 Ca 0.09 -0.35 -0.04 0.00 -0.28 0.00 0.00 59.70 59.12 1s5c h MET 68 Cb 0.71 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1s5c h MET 68 CO 0.05 1.01 0.05 0.87 0.23 0.00 0.00 176.91 179.13 1s5c h LYS 69 N 0.81 0.58 -0.08 0.39 1.57 -1.36 0.11 116.57 118.60 1s5c h LYS 69 Ca 0.12 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s5c h LYS 69 Cb 0.71 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1s5c h LYS 69 CO 0.05 0.56 0.03 -0.44 -0.57 0.00 0.00 179.45 179.09 1s5c h ASP 70 N 0.56 0.10 -0.42 0.86 3.32 -1.07 -2.36 116.42 117.41 1s5c h ASP 70 Ca 0.13 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1s5c h ASP 70 Cb 0.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1s5c h ASP 70 CO 0.00 0.23 0.22 0.74 -1.72 0.00 0.00 179.24 178.71 1s5c h THR 71 N -0.03 1.17 -0.31 0.35 2.02 -0.52 -2.30 112.91 113.29 1s5c h THR 71 Ca 0.03 -0.45 -0.17 0.00 0.77 0.00 0.00 66.41 66.58 1s5c h THR 71 Cb 0.16 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1s5c h THR 71 CO -0.00 0.18 -0.48 -0.07 0.37 0.00 0.00 175.52 175.52 1s5c h LEU 72 N 0.55 0.92 0.04 2.58 3.38 -0.82 0.11 115.31 122.07 1s5c h LEU 72 Ca 0.15 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1s5c h LEU 72 Cb 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1s5c h LEU 72 CO -0.02 1.24 -0.02 -0.09 0.09 0.00 0.00 178.44 179.64 1s5c h ARG 73 N 0.67 -0.05 0.00 1.13 2.43 -1.36 -0.85 114.38 116.34 1s5c h ARG 73 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1s5c h ARG 73 Cb 1.07 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1s5c h ARG 73 CO 0.11 0.15 -0.25 0.97 -1.51 0.00 0.00 179.97 179.43 1s5c h ILE 74 N -0.25 0.52 0.03 1.20 6.09 -1.37 -2.19 117.51 121.55 1s5c h ILE 74 Ca -0.01 -1.33 -0.22 0.00 -1.37 0.00 0.00 64.86 61.94 1s5c h ILE 74 Cb 0.23 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.44 1s5c h ILE 74 CO 0.01 0.24 -1.00 0.00 -3.07 0.00 0.00 178.15 174.33 1s5c h ALA 75 N 1.75 0.37 -0.28 0.18 0.00 -0.69 -1.24 119.26 119.35 1s5c h ALA 75 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1s5c h ALA 75 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1s5c h ALA 75 CO 0.03 1.01 0.07 -0.92 0.00 0.00 0.00 179.25 179.45 1s5c h TYR 76 N 0.07 0.47 -0.30 0.00 3.20 -0.83 -2.67 116.97 116.90 1s5c h TYR 76 Ca -0.06 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.58 1s5c h TYR 76 Cb 1.69 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.82 1s5c h TYR 76 CO 0.03 0.52 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.49 1s5c h LEU 77 N 0.29 0.97 -0.95 2.82 3.38 -1.37 -2.81 115.31 117.64 1s5c h LEU 77 Ca 0.09 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1s5c h LEU 77 Cb 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s5c h LEU 77 CO 0.00 1.30 0.00 0.71 0.09 0.00 0.00 178.44 180.54 1s5c h THR 78 N 0.67 0.00 -4.64 0.22 1.35 -1.27 -3.47 112.91 105.77 1s5c h THR 78 Ca 0.02 -0.24 -0.35 0.00 -0.55 0.00 0.00 66.41 65.29 1s5c h THR 78 Cb 1.11 0.99 0.09 0.00 -1.73 0.00 0.00 68.15 68.61 1s5c h THR 78 CO 0.11 0.00 -0.56 -0.62 -0.25 0.00 0.00 175.52 174.20 1s5c n GLU 79 N -2.39 -5.75 -2.47 4.72 1.02 -1.03 -4.97 120.64 109.78 1s5c n GLU 79 Ca 0.01 0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 57.51 1s5c n GLU 79 Cb 0.21 -5.43 -0.04 0.00 -0.02 0.00 0.00 31.44 26.16 1s5c n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5c s ALA 80 N -3.20 3.41 0.19 0.62 0.00 -1.09 -4.75 121.76 116.94 1s5c s ALA 80 Ca 0.40 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1s5c s ALA 80 Cb -0.18 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1s5c s ALA 80 CO 0.49 -0.18 1.41 0.21 0.00 0.00 0.00 175.76 177.70 1s5c s LYS 81 N -1.36 4.30 -0.38 0.00 2.20 -1.26 -4.10 119.74 119.14 1s5c s LYS 81 Ca 0.45 2.19 -0.12 0.00 -0.36 0.00 0.00 55.97 58.13 1s5c s LYS 81 Cb -0.32 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1s5c s LYS 81 CO 0.41 -0.41 0.22 0.08 -0.36 0.00 0.00 175.35 175.29 1s5c s VAL 82 N 0.47 4.68 0.00 4.02 1.01 -0.49 -2.98 120.40 127.12 1s5c s VAL 82 Ca 0.62 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1s5c s VAL 82 Cb -0.39 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1s5c s VAL 82 CO 0.37 -0.25 0.95 -0.08 0.00 0.00 0.00 175.10 176.09 1s5c h GLU 83 N 8.47 -0.04 -4.22 2.72 4.81 -1.10 -0.75 114.58 124.47 1s5c h GLU 83 Ca -0.26 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.79 1s5c h GLU 83 Cb 1.11 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.30 1s5c h GLU 83 CO 0.68 -0.02 -0.70 0.15 -0.73 0.00 0.00 179.01 178.38 1s5c s LYS 84 N -2.95 0.47 -0.13 1.92 1.02 -1.14 -1.80 119.74 117.14 1s5c s LYS 84 Ca -0.01 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1s5c s LYS 84 Cb 0.00 0.02 -0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1s5c s LYS 84 CO 0.02 -0.04 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.71 1s5c s LEU 85 N -1.97 2.39 -0.17 3.17 1.43 -0.62 -0.91 118.68 122.00 1s5c s LEU 85 Ca -0.07 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 1s5c s LEU 85 Cb -0.04 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1s5c s LEU 85 CO -0.03 0.13 0.86 0.00 0.23 0.00 0.00 176.35 177.55 1s5c s VAL 87 N 2.21 1.58 -0.21 0.00 -7.23 -1.04 -0.99 120.40 114.72 1s5c s VAL 87 Ca 0.40 -2.17 -0.17 0.00 -1.81 0.00 0.00 61.98 58.22 1s5c s VAL 87 Cb -0.17 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1s5c s VAL 87 CO 0.12 -0.63 0.46 0.26 -0.31 0.00 0.00 175.10 175.00 1s5c s TRP 88 N -3.07 3.36 -1.16 2.82 0.51 0.15 -1.79 118.94 119.77 1s5c s TRP 88 Ca 0.21 0.68 0.18 0.00 -2.12 0.00 0.00 56.10 55.06 1s5c s TRP 88 Cb 0.00 -2.61 0.70 0.00 -0.81 0.00 0.00 33.47 30.75 1s5c s TRP 88 CO 0.05 -0.08 1.61 0.27 -0.51 0.00 0.00 176.95 178.29 1s5c n ASN 89 N 4.71 4.64 -0.44 2.95 0.23 -0.95 -1.79 115.26 124.61 1s5c n ASN 89 Ca -0.06 -2.42 0.05 0.00 -0.53 0.00 0.00 54.58 51.61 1s5c n ASN 89 Cb 0.51 -0.56 0.14 0.00 -2.08 0.00 0.00 39.78 37.79 1s5c n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1s5c n ASN 90 N 1.10 1.29 -4.31 0.53 0.23 -1.26 -4.88 115.26 107.95 1s5c n ASN 90 Ca 0.25 -1.96 -0.17 0.00 -0.53 0.00 0.00 54.58 52.18 1s5c n ASN 90 Cb 0.86 -0.15 -0.10 0.00 -2.08 0.00 0.00 39.78 38.30 1s5c n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1s5c s LYS 91 N -1.69 1.24 -0.04 -3.83 -0.14 -1.26 -5.10 119.74 108.93 1s5c s LYS 91 Ca 0.18 -1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 53.21 1s5c s LYS 91 Cb 0.09 -0.81 0.03 0.00 -1.68 0.00 0.00 37.83 35.46 1s5c s LYS 91 CO 0.13 0.06 0.02 -0.08 -0.76 0.00 0.00 175.35 174.72 1s5c s THR 92 N -3.22 0.11 0.67 2.17 -1.32 -1.26 -3.34 115.64 109.45 1s5c s THR 92 Ca 0.22 0.20 -0.15 0.00 -1.21 0.00 0.00 61.69 60.75 1s5c s THR 92 Cb 0.02 -0.27 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 1s5c s THR 92 CO 0.05 0.17 1.15 -2.84 -2.21 0.00 0.00 174.62 170.94 1s5c s PRO 93 N 1.53 2.64 0.01 7.08 0.02 -1.26 -5.06 135.00 139.95 1s5c s PRO 93 Ca -0.03 1.54 -0.38 0.00 0.02 0.00 0.00 61.00 62.15 1s5c s PRO 93 Cb -0.13 -1.92 -0.18 0.00 0.02 0.00 0.00 34.50 32.30 1s5c s PRO 93 CO -0.03 -1.41 1.30 0.72 -0.33 0.00 0.00 177.00 177.26 1s5c n HIS 94 N -2.40 1.31 -3.31 6.54 8.25 -1.21 -4.51 115.22 119.89 1s5c n HIS 94 Ca 0.12 0.77 -0.38 0.00 -0.26 0.00 0.00 57.72 57.96 1s5c n HIS 94 Cb 0.51 -2.27 -0.06 0.00 1.12 0.00 0.00 29.99 29.30 1s5c n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5c s ALA 95 N 0.69 3.54 -0.01 -1.41 0.00 -0.74 -2.01 121.76 121.82 1s5c s ALA 95 Ca 0.88 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1s5c s ALA 95 Cb -1.08 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1s5c s ALA 95 CO 0.53 0.20 1.02 0.42 0.00 0.00 0.00 175.76 177.92 1s5c s ILE 96 N -0.17 4.73 -0.08 0.00 1.01 -0.58 0.34 121.20 126.45 1s5c s ILE 96 Ca 0.27 1.97 0.14 0.00 0.00 0.00 0.00 60.65 63.03 1s5c s ILE 96 Cb -0.17 -4.26 -0.21 0.00 0.01 0.00 0.00 42.46 37.83 1s5c s ILE 96 CO 0.14 0.13 0.20 0.00 0.00 0.00 0.00 174.94 175.41 1s5c n ALA 97 N 4.08 2.15 -3.51 9.38 0.00 -0.16 -4.83 120.51 127.61 1s5c n ALA 97 Ca 0.07 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1s5c n ALA 97 Cb 0.50 -0.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1s5c n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5c s ALA 98 N -2.73 -1.79 0.04 0.00 0.00 -0.81 -4.98 121.76 111.49 1s5c s ALA 98 Ca -0.06 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1s5c s ALA 98 Cb 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1s5c s ALA 98 CO 0.61 -0.52 -0.08 -1.50 0.00 0.00 0.00 175.76 174.27 1s5c s ILE 99 N -2.19 0.54 -0.03 0.00 2.07 -1.26 -1.11 121.20 119.22 1s5c s ILE 99 Ca -0.02 -1.11 0.03 0.00 -1.41 0.00 0.00 60.65 58.14 1s5c s ILE 99 Cb -0.01 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1s5c s ILE 99 CO -0.02 -0.40 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.58 1s5c s SER 100 N -1.62 1.26 -0.09 4.50 1.04 -0.08 -4.99 113.70 113.70 1s5c s SER 100 Ca -0.09 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1s5c s SER 100 Cb -0.10 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 1s5c s SER 100 CO 0.00 0.07 -0.24 -0.04 0.98 0.00 0.00 173.24 174.01 1s5c s MET 101 N 0.18 2.93 -0.03 4.02 -1.94 -1.26 -0.59 119.30 122.60 1s5c s MET 101 Ca -0.03 -0.88 -0.28 0.00 -1.71 0.00 0.00 55.69 52.79 1s5c s MET 101 Cb -0.09 -2.26 0.06 0.00 2.01 0.00 0.00 34.83 34.55 1s5c s MET 101 CO 0.01 0.22 0.62 0.00 -0.01 0.00 0.00 175.02 175.86 1s5c s ALA 102 N 0.23 -1.61 -2.00 3.03 0.00 -1.16 -4.86 121.76 115.40 1s5c s ALA 102 Ca -0.16 1.12 0.19 0.00 0.00 0.00 0.00 51.96 53.11 1s5c s ALA 102 Cb -0.17 0.06 1.11 0.00 0.00 0.00 0.00 23.12 24.12 1s5c s ALA 102 CO 0.08 -0.38 1.50 0.27 0.00 0.00 0.00 175.76 177.24