#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opk s PRO 3 N 0.00 4.56 0.18 -0.24 0.04 -1.26 -5.06 135.00 133.22 2opk s PRO 3 Ca 0.00 1.86 0.06 0.00 0.04 0.00 0.00 61.00 62.96 2opk s PRO 3 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2opk s PRO 3 CO 0.00 0.06 0.14 -1.59 0.04 0.00 0.00 177.00 175.65 2opk s LYS 4 N -0.97 2.87 0.14 4.56 0.00 -1.26 -5.13 119.74 119.95 2opk s LYS 4 Ca 0.48 -0.92 -0.08 0.00 0.00 0.00 0.00 55.97 55.46 2opk s LYS 4 Cb -0.33 -2.61 -0.01 0.00 0.00 0.00 0.00 37.83 34.88 2opk s LYS 4 CO 0.40 0.47 0.23 -3.38 0.00 0.00 0.00 175.35 173.07 2opk s HIS 5 N -1.82 0.42 0.13 1.78 -3.43 -1.26 -5.17 115.29 105.94 2opk s HIS 5 Ca 0.31 -0.80 -0.18 0.00 -0.80 0.00 0.00 55.06 53.59 2opk s HIS 5 Cb -0.10 -0.12 0.06 0.00 -1.43 0.00 0.00 32.58 31.00 2opk s HIS 5 CO 0.23 -0.66 0.87 0.41 -2.00 0.00 0.00 174.74 173.59 2opk n GLY 6 N -0.17 0.68 2.95 -1.38 0.00 -1.26 -5.15 105.19 100.87 2opk n GLY 6 Ca -0.09 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 2opk n GLY 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2opk s ASN 7 N -3.03 1.32 0.55 1.61 3.84 -1.26 -5.04 114.94 112.93 2opk s ASN 7 Ca 0.19 -0.21 0.32 0.00 0.21 0.00 0.00 52.86 53.37 2opk s ASN 7 Cb -0.02 -0.62 1.56 0.00 -0.55 0.00 0.00 41.25 41.62 2opk s ASN 7 CO 0.04 -0.01 2.09 0.25 -2.79 0.00 0.00 177.10 176.67 2opk h LEU 8 N 7.08 0.00 -1.69 3.21 5.85 -2.02 -2.91 115.31 124.83 2opk h LEU 8 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2opk h LEU 8 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2opk h LEU 8 CO 0.47 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 179.14 2opk n PHE 9 N -3.40 0.03 -3.12 1.25 3.72 -1.26 -4.94 117.46 109.74 2opk n PHE 9 Ca -0.01 -0.02 -0.35 0.00 -0.05 0.00 0.00 57.45 57.02 2opk n PHE 9 Cb 0.24 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 2opk n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2opk s ALA 10 N -1.97 3.40 -1.36 4.37 0.00 -1.10 -4.29 121.76 120.81 2opk s ALA 10 Ca 0.31 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 2opk s ALA 10 Cb 0.20 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2opk s ALA 10 CO 0.31 0.34 0.79 -0.25 0.00 0.00 0.00 175.76 176.94 2opk n ASP 11 N 0.41 -2.18 -4.41 0.00 8.00 -1.26 -4.96 116.55 112.14 2opk n ASP 11 Ca -0.01 -0.80 -0.41 0.00 0.71 0.00 0.00 54.79 54.28 2opk n ASP 11 Cb 0.52 -4.08 -0.11 0.00 -0.02 0.00 0.00 41.12 37.43 2opk n ASP 11 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2opk s VAL 12 N -3.57 4.86 -0.03 2.53 1.01 -1.26 -5.06 120.40 118.88 2opk s VAL 12 Ca 0.17 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2opk s VAL 12 Cb -0.09 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2opk s VAL 12 CO 0.81 -0.26 1.57 -2.84 0.00 0.00 0.00 175.10 174.38 2opk s PRO 13 N 1.61 4.21 -0.14 2.72 0.02 -1.26 -4.99 135.00 137.16 2opk s PRO 13 Ca 0.03 2.13 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 2opk s PRO 13 Cb -0.19 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.49 2opk s PRO 13 CO 0.08 -0.76 0.59 0.08 -0.33 0.00 0.00 177.00 176.66 2opk s VAL 14 N 3.39 5.09 0.00 3.83 1.01 -1.26 -4.07 120.40 128.39 2opk s VAL 14 Ca 0.70 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2opk s VAL 14 Cb -0.33 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2opk s VAL 14 CO 0.28 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2opk n GLY 15 N 3.47 0.51 3.73 4.51 0.00 -1.26 -5.03 105.19 111.12 2opk n GLY 15 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2opk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opk n ALA 16 N 0.82 2.43 0.19 4.61 0.00 -1.26 -4.88 120.51 122.43 2opk n ALA 16 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.88 2opk n ALA 16 Cb 0.00 -2.46 0.50 0.00 0.00 0.00 0.00 19.45 17.49 2opk n ALA 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2opk h PRO 17 N 5.23 0.09 -6.34 0.00 0.11 -1.95 -3.43 132.00 125.70 2opk h PRO 17 Ca -0.46 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 2opk h PRO 17 Cb 1.23 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 2opk h PRO 17 CO 0.83 0.21 -0.77 -0.51 -0.21 0.00 0.00 178.00 177.54 2opk s ASP 18 N -6.97 3.59 0.50 -2.05 1.01 -1.26 -4.92 116.67 106.58 2opk s ASP 18 Ca -0.05 -0.96 -0.23 0.00 0.71 0.00 0.00 52.55 52.03 2opk s ASP 18 Cb 0.16 -0.32 -0.06 0.00 1.01 0.00 0.00 42.92 43.71 2opk s ASP 18 CO 0.70 0.06 1.34 -1.61 0.21 0.00 0.00 175.17 175.88 2opk s GLU 19 N -3.24 3.41 -0.07 8.23 2.02 -1.26 -4.88 118.70 122.91 2opk s GLU 19 Ca 0.27 2.21 0.04 0.00 0.02 0.00 0.00 54.97 57.51 2opk s GLU 19 Cb -0.06 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2opk s GLU 19 CO 0.14 -0.96 -0.19 0.42 0.02 0.00 0.00 175.26 174.69 2opk s ILE 20 N -1.31 2.63 -0.05 -1.63 1.01 -0.59 -4.97 121.20 116.29 2opk s ILE 20 Ca 0.67 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.53 2opk s ILE 20 Cb -0.39 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2opk s ILE 20 CO 0.48 0.57 -0.25 -0.36 0.00 0.00 0.00 174.94 175.37 2opk s PHE 21 N -0.24 2.41 -0.09 3.97 0.40 -1.26 -0.49 117.98 122.68 2opk s PHE 21 Ca 0.00 -0.65 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 2opk s PHE 21 Cb -0.13 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.87 2opk s PHE 21 CO 0.03 -0.17 0.08 -0.65 0.70 0.00 0.00 175.22 175.21 2opk s GLN 22 N -0.28 -0.01 0.34 0.44 -0.21 -0.45 -5.02 119.66 114.47 2opk s GLN 22 Ca -0.00 0.23 -0.27 0.00 0.02 0.00 0.00 55.36 55.33 2opk s GLN 22 Cb -0.13 -0.97 -0.09 0.00 1.00 0.00 0.00 33.01 32.82 2opk s GLN 22 CO 0.02 -0.46 1.16 -1.25 -2.12 0.00 0.00 175.29 172.65 2opk s PRO 23 N 2.17 4.35 -0.17 2.91 0.04 -1.26 -1.03 135.00 142.02 2opk s PRO 23 Ca 0.04 1.87 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2opk s PRO 23 Cb -0.14 -2.94 -0.13 0.00 0.04 0.00 0.00 34.50 31.33 2opk s PRO 23 CO -0.06 -0.07 -0.11 1.28 0.04 0.00 0.00 177.00 178.09 2opk n LEU 24 N 0.64 2.24 -3.79 -3.56 4.77 0.17 -4.89 117.00 112.58 2opk n LEU 24 Ca 0.01 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 2opk n LEU 24 Cb 0.45 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 2opk n LEU 24 CO 0.53 0.69 -0.21 -0.22 -1.33 0.00 0.00 177.39 176.85 2opk s LEU 25 N -5.78 1.10 -0.10 2.23 2.96 -0.90 -4.98 118.68 113.22 2opk s LEU 25 Ca -0.20 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 2opk s LEU 25 Cb 0.06 0.45 0.02 0.00 0.50 0.00 0.00 46.19 47.22 2opk s LEU 25 CO 0.45 -0.10 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.71 2opk s GLU 26 N 0.58 1.33 0.10 1.98 2.02 -1.26 -0.93 118.70 122.51 2opk s GLU 26 Ca -0.04 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2opk s GLU 26 Cb -0.06 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.73 2opk s GLU 26 CO -0.03 -0.23 -0.03 1.03 0.02 0.00 0.00 175.26 176.03 2opk s ARG 27 N 1.59 0.82 -0.02 1.61 1.81 -0.66 -5.04 118.95 119.06 2opk s ARG 27 Ca 0.02 -1.35 -0.35 0.00 -1.72 0.00 0.00 55.73 52.33 2opk s ARG 27 Cb -0.13 -0.02 -0.13 0.00 -0.45 0.00 0.00 34.95 34.22 2opk s ARG 27 CO -0.06 -0.10 1.72 0.36 -0.68 0.00 0.00 175.30 176.54 2opk n LYS 28 N -0.04 1.93 -1.22 3.54 2.85 -1.26 -0.83 118.16 123.14 2opk n LYS 28 Ca -0.11 0.70 -0.08 0.00 -1.05 0.00 0.00 58.31 57.78 2opk n LYS 28 Cb 0.62 -2.48 -0.03 0.00 -0.65 0.00 0.00 35.03 32.48 2opk n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2opk n GLY 29 N 3.90 0.94 3.24 2.58 0.00 -1.26 -5.00 105.19 109.58 2opk n GLY 29 Ca 0.21 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 2opk n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2opk s LEU 30 N -1.73 0.15 -0.02 0.99 2.96 -0.01 -3.48 118.68 117.55 2opk s LEU 30 Ca 0.00 0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2opk s LEU 30 Cb 0.00 1.25 0.03 0.00 0.50 0.00 0.00 46.19 47.97 2opk s LEU 30 CO 0.00 -0.17 0.03 -0.75 -1.32 0.00 0.00 176.35 174.14 2opk s LYS 31 N 1.05 -0.03 -0.13 1.98 2.20 -0.59 -1.66 119.74 122.56 2opk s LYS 31 Ca -0.07 0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2opk s LYS 31 Cb -0.07 -0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.01 2opk s LYS 31 CO -0.09 -0.15 -0.12 0.42 -0.36 0.00 0.00 175.35 175.06 2opk s ILE 32 N 0.97 3.18 0.05 5.43 1.01 -0.11 -0.79 121.20 130.95 2opk s ILE 32 Ca -0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 2opk s ILE 32 Cb -0.12 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2opk s ILE 32 CO -0.03 0.52 0.19 -1.83 0.00 0.00 0.00 174.94 173.79 2opk s GLU 33 N 0.27 0.71 -0.10 2.79 -1.05 -0.12 0.41 118.70 121.62 2opk s GLU 33 Ca -0.09 -0.70 -0.10 0.00 -0.15 0.00 0.00 54.97 53.94 2opk s GLU 33 Cb -0.15 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 2opk s GLU 33 CO 0.05 -0.21 0.22 0.50 0.95 0.00 0.00 175.26 176.77 2opk s ARG 34 N -2.80 3.66 -0.07 -4.83 3.52 -0.20 -0.75 118.95 117.48 2opk s ARG 34 Ca -0.03 0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 2opk s ARG 34 Cb 0.00 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2opk s ARG 34 CO -0.05 0.70 -0.24 0.42 -0.81 0.00 0.00 175.30 175.32 2opk s ILE 35 N -0.87 1.97 -0.23 4.11 1.01 -0.75 -1.35 121.20 125.09 2opk s ILE 35 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2opk s ILE 35 Cb -0.13 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.70 2opk s ILE 35 CO 0.06 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 174.80 2opk s ILE 36 N -0.00 2.34 0.11 2.92 1.01 0.36 -0.57 121.20 127.36 2opk s ILE 36 Ca -0.08 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.34 2opk s ILE 36 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2opk s ILE 36 CO 0.05 0.19 0.12 -0.44 0.00 0.00 0.00 174.94 174.86 2opk s SER 37 N 1.22 5.62 -0.38 3.58 0.01 0.77 -1.54 113.70 122.98 2opk s SER 37 Ca -0.02 -0.02 0.12 0.00 1.31 0.00 0.00 55.95 57.33 2opk s SER 37 Cb -0.17 -1.52 0.35 0.00 0.21 0.00 0.00 66.02 64.89 2opk s SER 37 CO -0.07 0.13 0.75 0.59 0.41 0.00 0.00 173.24 175.05 2opk n ASN 38 N 0.13 1.04 0.00 2.44 3.02 -1.26 -0.87 115.26 119.76 2opk n ASN 38 Ca -0.08 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 2opk n ASN 38 Cb 0.53 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2opk n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2opk n GLY 39 N 0.24 0.76 3.83 7.41 0.00 -1.14 -4.90 105.19 111.39 2opk n GLY 39 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2opk n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opk s GLN 40 N -0.47 3.55 0.14 1.61 1.11 -1.26 -4.46 119.66 119.88 2opk s GLN 40 Ca 0.00 0.97 0.04 0.00 0.01 0.00 0.00 55.36 56.38 2opk s GLN 40 Cb 0.00 -2.07 -0.04 0.00 -1.01 0.00 0.00 33.01 29.88 2opk s GLN 40 CO 0.00 -0.61 -0.09 0.00 0.01 0.00 0.00 175.29 174.60 2opk s ALA 41 N -2.77 1.37 0.24 6.09 0.00 -1.26 -3.25 121.76 122.18 2opk s ALA 41 Ca 0.59 -1.47 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 2opk s ALA 41 Cb -0.12 0.08 -0.13 0.00 0.00 0.00 0.00 23.12 22.94 2opk s ALA 41 CO 0.42 -0.12 1.46 0.43 0.00 0.00 0.00 175.76 177.94 2opk n SER 42 N -0.17 2.99 -4.71 0.00 7.64 -0.03 -4.94 113.62 114.41 2opk n SER 42 Ca -0.10 1.14 -0.33 0.00 1.01 0.00 0.00 58.87 60.59 2opk n SER 42 Cb 0.61 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.47 2opk n SER 42 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2opk s PRO 43 N -0.33 1.69 0.29 1.43 0.04 -1.26 -4.88 135.00 131.98 2opk s PRO 43 Ca 0.68 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2opk s PRO 43 Cb -0.62 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 2opk s PRO 43 CO 0.48 -2.15 1.36 -2.30 0.04 0.00 0.00 177.00 174.44 2opk n PRO 44 N -3.45 2.10 0.00 0.56 -0.02 -1.26 -1.54 135.00 131.40 2opk n PRO 44 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2opk n PRO 44 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2opk n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 45 N 1.53 2.94 3.72 -1.23 0.00 -1.26 -5.02 105.19 105.86 2opk n GLY 45 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2opk n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2opk s PHE 46 N -1.77 3.66 -0.02 1.61 5.36 -0.59 -5.06 117.98 121.18 2opk s PHE 46 Ca 0.00 1.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.55 2opk s PHE 46 Cb 0.00 -2.99 -0.00 0.00 -0.34 0.00 0.00 43.02 39.69 2opk s PHE 46 CO 0.00 0.07 -0.10 -1.58 -1.46 0.00 0.00 175.22 172.15 2opk s TRP 47 N 0.73 1.01 0.45 10.12 0.52 -1.26 -4.74 118.94 125.75 2opk s TRP 47 Ca 0.46 -0.22 -0.21 0.00 0.02 0.00 0.00 56.10 56.14 2opk s TRP 47 Cb -0.20 -0.68 -0.10 0.00 -1.15 0.00 0.00 33.47 31.34 2opk s TRP 47 CO 0.25 -0.06 0.98 0.71 0.02 0.00 0.00 176.95 178.85 2opk s TYR 48 N -0.04 3.21 -0.28 -1.98 2.02 0.85 -4.89 117.35 116.24 2opk s TYR 48 Ca 0.01 1.60 -0.01 0.00 -0.37 0.00 0.00 57.07 58.29 2opk s TYR 48 Cb -0.07 -2.93 0.17 0.00 -0.40 0.00 0.00 41.96 38.73 2opk s TYR 48 CO 0.00 -0.36 0.51 0.34 -1.57 0.00 0.00 175.55 174.47 2opk s ASP 49 N -2.08 -0.77 0.06 2.29 -1.08 -1.26 -2.51 116.67 111.32 2opk s ASP 49 Ca 0.63 0.61 0.08 0.00 -0.52 0.00 0.00 52.55 53.35 2opk s ASP 49 Cb -0.12 1.76 -0.03 0.00 -1.46 0.00 0.00 42.92 43.07 2opk s ASP 49 CO 0.16 -0.28 -0.22 -0.55 0.52 0.00 0.00 175.17 174.80 2opk s SER 50 N 2.74 2.64 0.00 -0.34 0.15 -1.26 -4.93 113.70 112.70 2opk s SER 50 Ca 0.18 -0.59 0.23 0.00 0.70 0.00 0.00 55.95 56.47 2opk s SER 50 Cb -0.15 -0.20 1.00 0.00 -1.71 0.00 0.00 66.02 64.96 2opk s SER 50 CO -0.19 0.15 1.73 -0.81 1.20 0.00 0.00 173.24 175.32 2opk n PRO 51 N 1.58 0.05 -3.96 5.44 -0.04 -1.26 -0.53 135.00 136.28 2opk n PRO 51 Ca -0.18 0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 2opk n PRO 51 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2opk n PRO 51 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2opk s GLN 52 N -2.93 3.39 0.59 0.54 -0.21 -1.26 -4.33 119.66 115.44 2opk s GLN 52 Ca 0.13 -0.66 -0.16 0.00 0.02 0.00 0.00 55.36 54.69 2opk s GLN 52 Cb 0.15 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 2opk s GLN 52 CO 0.40 0.50 1.05 -0.51 -2.12 0.00 0.00 175.29 174.62 2opk s ASP 53 N -3.38 5.84 -0.01 5.90 1.11 0.14 -3.80 116.67 122.47 2opk s ASP 53 Ca 0.34 1.81 0.04 0.00 0.18 0.00 0.00 52.55 54.92 2opk s ASP 53 Cb -0.11 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 2opk s ASP 53 CO 0.28 -1.13 -0.12 -0.70 1.18 0.00 0.00 175.17 174.68 2opk s GLU 54 N -4.04 1.03 -0.12 8.23 2.12 -0.44 -1.71 118.70 123.77 2opk s GLU 54 Ca 0.64 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.54 2opk s GLU 54 Cb -0.16 -0.99 0.01 0.00 0.26 0.00 0.00 34.13 33.26 2opk s GLU 54 CO 0.36 0.26 -0.17 -0.46 -0.54 0.00 0.00 175.26 174.71 2opk s TRP 55 N -0.24 2.19 0.25 5.30 -0.00 0.03 0.06 118.94 126.54 2opk s TRP 55 Ca 0.04 -1.09 0.01 0.00 -0.00 0.00 0.00 56.10 55.06 2opk s TRP 55 Cb -0.05 -1.55 -0.03 0.00 -0.00 0.00 0.00 33.47 31.83 2opk s TRP 55 CO -0.00 -0.54 0.22 0.54 -0.00 0.00 0.00 176.95 177.16 2opk s VAL 56 N 1.02 0.00 -0.11 5.86 0.11 -0.40 -0.16 120.40 126.72 2opk s VAL 56 Ca -0.05 -1.95 0.02 0.00 -2.93 0.00 0.00 61.98 57.07 2opk s VAL 56 Cb -0.15 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2opk s VAL 56 CO -0.03 0.00 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.89 2opk s VAL 58 N -3.86 1.53 -0.15 2.04 1.01 -0.63 -0.58 120.40 119.75 2opk s VAL 58 Ca 0.38 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.80 2opk s VAL 58 Cb 0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 36.38 34.87 2opk s VAL 58 CO 0.17 0.45 0.00 0.52 0.00 0.00 0.00 175.10 176.25 2opk n VAL 59 N 4.18 1.00 -3.87 2.92 0.31 0.16 -0.45 118.33 122.58 2opk n VAL 59 Ca -0.19 -0.56 -0.09 0.00 -0.01 0.00 0.00 64.34 63.49 2opk n VAL 59 Cb 0.51 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 2opk n VAL 59 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2opk s SER 60 N -4.98 0.12 0.26 4.52 1.04 -0.98 -4.71 113.70 108.97 2opk s SER 60 Ca -0.11 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2opk s SER 60 Cb 0.05 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2opk s SER 60 CO 0.55 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2opk n GLY 61 N -0.07 0.33 3.53 7.32 0.00 -1.23 -1.99 105.19 113.07 2opk n GLY 61 Ca -0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 2opk n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opk s SER 62 N -4.00 -0.38 0.28 1.61 1.04 -1.26 -4.06 113.70 106.93 2opk s SER 62 Ca 0.00 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.15 2opk s SER 62 Cb 0.00 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2opk s SER 62 CO 0.00 -0.75 0.84 0.00 0.98 0.00 0.00 173.24 174.30 2opk s ALA 63 N -3.30 -1.20 -0.01 5.32 0.00 -1.26 -0.48 121.76 120.83 2opk s ALA 63 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2opk s ALA 63 Cb -0.01 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 2opk s ALA 63 CO -0.08 -1.03 -0.07 0.20 0.00 0.00 0.00 175.76 174.78 2opk s GLY 64 N -3.05 0.38 -0.03 0.00 0.00 -0.55 -4.50 107.32 99.57 2opk s GLY 64 Ca 0.14 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.62 2opk s GLY 64 CO 0.07 -0.16 -0.12 -0.42 0.00 0.00 0.00 173.10 172.47 2opk s ILE 65 N -0.01 1.01 -0.17 0.90 1.01 -0.94 -1.10 121.20 121.89 2opk s ILE 65 Ca 0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2opk s ILE 65 Cb -0.05 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2opk s ILE 65 CO -0.00 0.30 -0.06 -0.70 0.00 0.00 0.00 174.94 174.48 2opk s GLU 66 N 0.04 3.49 -0.10 2.79 2.12 -0.29 -0.75 118.70 125.98 2opk s GLU 66 Ca -0.01 -0.60 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 2opk s GLU 66 Cb -0.08 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 2opk s GLU 66 CO 0.01 0.06 0.22 0.00 -0.54 0.00 0.00 175.26 175.01 2opk n GLU 68 N 2.25 2.64 0.00 0.00 2.13 -0.12 -1.67 120.64 125.87 2opk n GLU 68 Ca -0.17 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2opk n GLU 68 Cb 0.54 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2opk n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2opk n GLY 69 N 0.46 2.26 3.83 8.31 0.00 -1.26 -4.89 105.19 113.90 2opk n GLY 69 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2opk n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 70 N -2.19 6.69 0.34 1.61 1.11 -0.67 -4.98 116.67 118.58 2opk s ASP 70 Ca 0.00 1.66 0.15 0.00 0.18 0.00 0.00 52.55 54.54 2opk s ASP 70 Cb 0.00 -2.53 0.60 0.00 1.07 0.00 0.00 42.92 42.06 2opk s ASP 70 CO 0.00 -0.54 1.72 0.00 1.18 0.00 0.00 175.17 177.53 2opk h THR 71 N 1.36 1.15 -3.17 -1.27 1.03 -1.97 -3.47 112.91 106.58 2opk h THR 71 Ca -0.48 -1.66 0.01 0.00 -0.01 0.00 0.00 66.41 64.27 2opk h THR 71 Cb 1.19 1.94 -0.09 0.00 -1.07 0.00 0.00 68.15 70.12 2opk h THR 71 CO 0.61 0.45 0.12 0.00 -0.01 0.00 0.00 175.52 176.68 2opk s ALA 72 N -3.75 -1.11 0.78 0.00 0.00 -1.26 -5.15 121.76 111.27 2opk s ALA 72 Ca -0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 2opk s ALA 72 Cb 0.12 0.87 0.07 0.00 0.00 0.00 0.00 23.12 24.18 2opk s ALA 72 CO 0.72 -0.88 1.19 -2.14 0.00 0.00 0.00 175.76 174.65 2opk s PRO 73 N -3.88 1.88 -0.17 0.00 0.02 -1.26 -4.74 135.00 126.85 2opk s PRO 73 Ca 0.09 1.68 -0.06 0.00 0.02 0.00 0.00 61.00 62.72 2opk s PRO 73 Cb -0.03 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2opk s PRO 73 CO -0.01 -2.02 0.05 1.03 -0.33 0.00 0.00 177.00 175.72 2opk s ARG 74 N -4.15 3.83 1.00 5.54 1.81 0.07 -4.90 118.95 122.15 2opk s ARG 74 Ca 0.72 -0.36 -0.17 0.00 -1.72 0.00 0.00 55.73 54.20 2opk s ARG 74 Cb -0.27 -3.13 0.26 0.00 -0.45 0.00 0.00 34.95 31.35 2opk s ARG 74 CO 0.49 0.33 0.73 0.28 -0.68 0.00 0.00 175.30 176.45 2opk n VAL 75 N 3.34 0.00 -3.61 3.52 0.31 -1.26 -2.21 118.33 118.41 2opk n VAL 75 Ca -0.17 -0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.01 2opk n VAL 75 Cb 0.52 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2opk n VAL 75 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2opk s ARG 77 N -4.70 0.10 0.12 5.55 1.81 -1.26 -4.96 118.95 115.61 2opk s ARG 77 Ca 0.51 -0.06 -0.35 0.00 -1.72 0.00 0.00 55.73 54.11 2opk s ARG 77 Cb -0.07 0.03 -0.16 0.00 -0.45 0.00 0.00 34.95 34.31 2opk s ARG 77 CO 0.41 -0.05 1.41 -2.30 -0.68 0.00 0.00 175.30 174.09 2opk n PRO 78 N -0.54 1.50 0.00 3.54 -0.02 -1.26 -1.20 135.00 137.02 2opk n PRO 78 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2opk n PRO 78 Cb 0.63 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2opk n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 79 N 2.77 3.24 3.73 -1.23 0.00 0.41 -4.98 105.19 109.12 2opk n GLY 79 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2opk n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 80 N -0.15 7.03 0.16 1.61 1.01 -0.34 -4.88 116.67 121.10 2opk s ASP 80 Ca 0.00 2.18 0.05 0.00 0.71 0.00 0.00 52.55 55.49 2opk s ASP 80 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2opk s ASP 80 CO 0.00 -0.45 -0.10 -1.66 0.21 0.00 0.00 175.17 173.16 2opk s TRP 81 N 0.50 1.34 -0.05 4.23 1.48 -1.26 -1.61 118.94 123.57 2opk s TRP 81 Ca 0.57 -0.74 -0.02 0.00 -1.06 0.00 0.00 56.10 54.85 2opk s TRP 81 Cb -0.32 -0.67 0.03 0.00 -1.16 0.00 0.00 33.47 31.34 2opk s TRP 81 CO 0.33 0.12 0.11 -1.17 -4.06 0.00 0.00 176.95 172.28 2opk s LEU 82 N -3.20 1.00 -0.27 -4.66 2.96 0.25 -4.98 118.68 109.78 2opk s LEU 82 Ca 0.18 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 2opk s LEU 82 Cb 0.02 0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.92 2opk s LEU 82 CO 0.02 -0.12 0.18 -2.28 -1.32 0.00 0.00 176.35 172.83 2opk s HIS 83 N 0.91 3.23 -0.42 5.38 5.65 -1.26 -1.28 115.29 127.49 2opk s HIS 83 Ca -0.07 0.11 -0.06 0.00 0.25 0.00 0.00 55.06 55.29 2opk s HIS 83 Cb -0.09 -2.35 0.10 0.00 -1.18 0.00 0.00 32.58 29.06 2opk s HIS 83 CO -0.04 -0.13 0.24 0.08 -0.65 0.00 0.00 174.74 174.24 2opk s VAL 84 N 1.63 3.73 0.83 0.89 1.01 0.11 -5.00 120.40 123.59 2opk s VAL 84 Ca 0.07 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 2opk s VAL 84 Cb -0.16 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2opk s VAL 84 CO 0.09 -0.64 1.20 -2.84 0.00 0.00 0.00 175.10 172.91 2opk s PRO 85 N 1.27 1.53 0.29 2.72 0.02 -1.26 -1.33 135.00 138.24 2opk s PRO 85 Ca 0.05 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 2opk s PRO 85 Cb -0.24 -1.77 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 2opk s PRO 85 CO -0.02 -2.29 1.43 0.00 -0.33 0.00 0.00 177.00 175.80 2opk n ALA 86 N -3.46 1.59 -0.52 -1.55 0.00 -1.25 -1.77 120.51 113.56 2opk n ALA 86 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2opk n ALA 86 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2opk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2opk n HIS 87 N 1.50 0.00 -2.87 0.00 8.25 0.31 -4.98 115.22 117.43 2opk n HIS 87 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2opk n HIS 87 Cb 0.34 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 2opk n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2opk s ARG 89 N 1.14 3.92 0.16 0.00 0.52 -1.26 -4.69 118.95 118.74 2opk s ARG 89 Ca 0.44 0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 55.91 2opk s ARG 89 Cb -0.19 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2opk s ARG 89 CO 0.21 0.52 0.39 -3.38 0.02 0.00 0.00 175.30 173.06 2opk s HIS 90 N -1.41 0.05 0.08 -0.53 -3.43 -1.04 -0.94 115.29 108.05 2opk s HIS 90 Ca 0.35 -0.40 -0.09 0.00 -0.80 0.00 0.00 55.06 54.12 2opk s HIS 90 Cb -0.15 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.18 2opk s HIS 90 CO 0.18 -0.77 0.20 -0.98 -2.00 0.00 0.00 174.74 171.37 2opk s ARG 91 N -3.88 0.81 -0.39 -0.38 1.70 -0.26 -0.10 118.95 116.43 2opk s ARG 91 Ca 0.10 -0.86 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 2opk s ARG 91 Cb 0.02 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2opk s ARG 91 CO -0.05 -0.25 0.61 0.08 -1.08 0.00 0.00 175.30 174.61 2opk s VAL 92 N -3.49 4.89 0.14 4.99 1.01 -1.26 -1.14 120.40 125.54 2opk s VAL 92 Ca 0.02 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2opk s VAL 92 Cb 0.03 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 2opk s VAL 92 CO -0.09 -0.43 1.34 0.00 0.00 0.00 0.00 175.10 175.93 2opk h ALA 93 N 8.66 0.42 -2.38 5.51 0.00 -1.46 -0.03 119.26 129.98 2opk h ALA 93 Ca -0.26 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 54.11 2opk h ALA 93 Cb 1.11 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 2opk h ALA 93 CO 0.85 0.76 0.46 1.67 0.00 0.00 0.00 179.25 182.99 2opk s TRP 94 N -3.49 -0.30 0.16 0.00 -2.14 -1.15 -4.78 118.94 107.23 2opk s TRP 94 Ca -0.07 0.10 0.05 0.00 2.66 0.00 0.00 56.10 58.85 2opk s TRP 94 Cb 0.09 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.99 2opk s TRP 94 CO 0.87 -0.67 -0.11 0.95 -2.66 0.00 0.00 176.95 175.33 2opk s THR 95 N -3.25 1.26 0.03 0.66 -4.23 -1.20 -1.49 115.64 107.42 2opk s THR 95 Ca 0.07 -2.08 -0.37 0.00 -1.18 0.00 0.00 61.69 58.12 2opk s THR 95 Cb -0.01 -1.88 -0.16 0.00 1.34 0.00 0.00 72.50 71.79 2opk s THR 95 CO -0.06 -0.72 1.43 -0.67 -0.54 0.00 0.00 174.62 174.05 2opk n ASP 96 N -0.22 1.86 -0.18 3.99 -0.08 0.37 -4.46 116.55 117.82 2opk n ASP 96 Ca -0.10 1.11 0.14 0.00 -1.51 0.00 0.00 54.79 54.43 2opk n ASP 96 Cb 0.61 -1.20 0.56 0.00 2.34 0.00 0.00 41.12 43.43 2opk n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2opk n GLY 97 N 2.86 -0.75 0.00 0.27 0.00 -1.26 -2.88 105.19 103.43 2opk n GLY 97 Ca 0.20 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.93 2opk n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opk n GLY 98 N 1.27 -0.12 3.51 -0.02 0.00 -1.26 -4.96 105.19 103.61 2opk n GLY 98 Ca 0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2opk n GLY 98 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2opk s GLU 99 N -2.24 1.36 0.52 1.61 -1.05 -1.26 -5.14 118.70 112.50 2opk s GLU 99 Ca -0.01 -0.86 -0.22 0.00 -0.15 0.00 0.00 54.97 53.72 2opk s GLU 99 Cb 0.04 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 2opk s GLU 99 CO 0.27 -0.57 1.26 -2.30 0.95 0.00 0.00 175.26 174.86 2opk n PRO 100 N -0.33 1.60 -3.82 -4.83 -0.02 -1.26 -4.64 135.00 121.69 2opk n PRO 100 Ca -0.10 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 2opk n PRO 100 Cb 0.63 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2opk n PRO 100 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2opk s THR 101 N -1.30 3.67 -0.18 3.45 2.01 -0.05 -3.56 115.64 119.67 2opk s THR 101 Ca 0.69 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 2opk s THR 101 Cb -0.44 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2opk s THR 101 CO 0.51 0.13 0.05 -0.69 -0.69 0.00 0.00 174.62 173.93 2opk s VAL 102 N 1.46 4.66 0.25 3.82 1.01 -0.84 -0.17 120.40 130.59 2opk s VAL 102 Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.03 2opk s VAL 102 Cb -0.17 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2opk s VAL 102 CO 0.00 0.46 -0.16 0.26 0.00 0.00 0.00 175.10 175.66 2opk s TRP 103 N 0.45 2.41 -0.13 5.22 0.52 0.26 -0.67 118.94 127.00 2opk s TRP 103 Ca 0.02 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.87 2opk s TRP 103 Cb -0.13 -1.08 0.01 0.00 -1.15 0.00 0.00 33.47 31.12 2opk s TRP 103 CO 0.01 0.64 -0.22 -1.17 0.02 0.00 0.00 176.95 176.23 2opk s LEU 104 N -3.34 2.07 -0.02 2.99 2.96 -1.26 -1.81 118.68 120.27 2opk s LEU 104 Ca 0.28 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2opk s LEU 104 Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 2opk s LEU 104 CO 0.15 0.09 -0.13 0.00 -1.32 0.00 0.00 176.35 175.14 2opk s ALA 105 N 0.73 1.14 -0.10 5.97 0.00 0.07 -4.30 121.76 125.27 2opk s ALA 105 Ca -0.10 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2opk s ALA 105 Cb -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2opk s ALA 105 CO 0.00 0.24 -0.17 0.08 0.00 0.00 0.00 175.76 175.92 2opk s VAL 106 N -0.12 1.56 -0.15 0.00 1.01 0.77 -0.94 120.40 122.53 2opk s VAL 106 Ca 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2opk s VAL 106 Cb -0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2opk s VAL 106 CO 0.00 0.45 -0.12 -1.00 0.00 0.00 0.00 175.10 174.44 2opk s HIS 107 N 0.73 2.84 0.27 5.22 3.76 0.03 -0.78 115.29 127.37 2opk s HIS 107 Ca -0.12 -0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 53.97 2opk s HIS 107 Cb -0.16 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.64 2opk s HIS 107 CO 0.03 -0.27 0.52 0.00 -0.85 0.00 0.00 174.74 174.16 2opk n ASP 109 N -0.62 1.96 0.25 0.00 8.00 -1.23 0.29 116.55 125.20 2opk n ASP 109 Ca -0.02 0.87 0.14 0.00 0.71 0.00 0.00 54.79 56.49 2opk n ASP 109 Cb 0.62 -1.52 0.53 0.00 -0.02 0.00 0.00 41.12 40.72 2opk n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2opk h ALA 110 N 0.81 1.00 0.00 2.24 0.00 -1.91 -3.38 119.26 118.02 2opk h ALA 110 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2opk h ALA 110 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2opk h ALA 110 CO 0.54 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.88