#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx9 s VAL 3 N 0.00 1.33 -0.07 -1.45 -7.23 -0.20 -1.48 120.40 111.30 3hx9 s VAL 3 Ca 0.00 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3hx9 s VAL 3 Cb 0.00 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3hx9 s VAL 3 CO 0.00 -0.46 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.49 3hx9 s VAL 4 N -3.22 1.34 -0.19 1.32 1.01 -0.74 -1.78 120.40 118.13 3hx9 s VAL 4 Ca 0.25 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3hx9 s VAL 4 Cb 0.03 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3hx9 s VAL 4 CO 0.07 0.40 -0.18 -0.54 0.00 0.00 0.00 175.10 174.85 3hx9 s LYS 5 N 0.60 2.81 -0.17 2.72 -0.14 -0.19 -0.89 119.74 124.47 3hx9 s LYS 5 Ca -0.15 -0.91 -0.02 0.00 -1.36 0.00 0.00 55.97 53.52 3hx9 s LYS 5 Cb -0.16 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 3hx9 s LYS 5 CO 0.05 -0.28 -0.09 0.42 -0.76 0.00 0.00 175.35 174.69 3hx9 s ILE 6 N 1.27 3.23 -0.34 2.17 1.01 0.69 -1.08 121.20 128.14 3hx9 s ILE 6 Ca 0.02 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3hx9 s ILE 6 Cb -0.14 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 3hx9 s ILE 6 CO -0.11 0.48 0.67 0.21 0.00 0.00 0.00 174.94 176.19 3hx9 s ASN 7 N 0.85 6.49 -0.44 3.58 3.04 -0.09 -0.13 114.94 128.25 3hx9 s ASN 7 Ca -0.03 0.32 -0.15 0.00 0.04 0.00 0.00 52.86 53.04 3hx9 s ASN 7 Cb -0.15 -2.35 0.04 0.00 -1.54 0.00 0.00 41.25 37.25 3hx9 s ASN 7 CO 0.01 -0.58 0.35 0.00 -3.04 0.00 0.00 177.10 173.83 3hx9 s ALA 8 N 2.77 3.50 -0.14 1.71 0.00 0.30 -1.02 121.76 128.88 3hx9 s ALA 8 Ca 0.27 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 3hx9 s ALA 8 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3hx9 s ALA 8 CO 0.14 -1.58 -0.06 0.96 0.00 0.00 0.00 175.76 175.22 3hx9 s ILE 9 N 1.72 3.67 -0.23 0.00 -4.36 -0.25 -1.29 121.20 120.47 3hx9 s ILE 9 Ca 0.05 -0.44 -0.28 0.00 -0.26 0.00 0.00 60.65 59.73 3hx9 s ILE 9 Cb -0.21 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.92 3hx9 s ILE 9 CO 0.09 0.51 0.97 -1.61 0.24 0.00 0.00 174.94 175.14 3hx9 s GLU 10 N 0.25 4.24 -0.12 0.37 2.02 -0.04 -1.90 118.70 123.52 3hx9 s GLU 10 Ca -0.04 1.22 0.02 0.00 0.02 0.00 0.00 54.97 56.19 3hx9 s GLU 10 Cb -0.14 -3.64 0.01 0.00 0.10 0.00 0.00 34.13 30.46 3hx9 s GLU 10 CO 0.04 -0.58 -0.16 0.08 0.02 0.00 0.00 175.26 174.66 3hx9 s VAL 11 N 3.02 1.59 0.51 2.63 1.01 -1.26 -0.57 120.40 127.33 3hx9 s VAL 11 Ca 0.41 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3hx9 s VAL 11 Cb -0.15 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 3hx9 s VAL 11 CO 0.07 0.46 1.39 -2.65 0.00 0.00 0.00 175.10 174.37 3hx9 n PRO 12 N 4.22 1.94 -1.68 2.72 -0.02 -1.26 -4.87 135.00 136.05 3hx9 n PRO 12 Ca -0.19 0.70 -0.45 0.00 -2.02 0.00 0.00 63.50 61.54 3hx9 n PRO 12 Cb 0.51 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3hx9 n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx9 n ALA 13 N -0.68 1.82 0.00 3.55 0.00 -1.26 -1.00 120.51 122.94 3hx9 n ALA 13 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3hx9 n ALA 13 Cb 0.43 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3hx9 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx9 n GLY 14 N 3.59 3.41 0.00 0.00 0.00 -1.26 -4.88 105.19 106.06 3hx9 n GLY 14 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3hx9 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx9 n ALA 15 N -1.63 3.55 -0.10 4.61 0.00 -0.17 -4.41 120.51 122.37 3hx9 n ALA 15 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 3hx9 n ALA 15 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.35 3hx9 n ALA 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hx9 h GLY 16 N 4.98 0.36 0.61 0.00 0.00 -1.90 -1.19 103.07 105.92 3hx9 h GLY 16 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.43 3hx9 h GLY 16 CO 0.00 -0.06 0.53 -2.55 0.00 0.00 0.00 176.54 174.46 3hx9 h PRO 17 N 0.13 0.89 -0.25 4.80 0.11 -1.96 0.23 132.00 135.95 3hx9 h PRO 17 Ca 0.16 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 3hx9 h PRO 17 Cb 0.21 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 3hx9 h PRO 17 CO -0.25 0.59 -0.24 1.49 -0.21 0.00 0.00 178.00 179.37 3hx9 h GLU 18 N 0.91 0.60 -0.43 1.05 4.57 -1.74 -1.72 114.58 117.83 3hx9 h GLU 18 Ca 0.40 -0.32 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3hx9 h GLU 18 Cb 0.29 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3hx9 h GLU 18 CO -0.21 0.91 0.18 1.25 -1.18 0.00 0.00 179.01 179.95 3hx9 h LEU 19 N 0.32 0.22 -0.88 1.64 6.46 -0.68 -1.73 115.31 120.65 3hx9 h LEU 19 Ca 0.04 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3hx9 h LEU 19 Cb 0.80 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 3hx9 h LEU 19 CO 0.06 0.16 0.48 -0.33 -0.62 0.00 0.00 178.44 178.20 3hx9 h GLU 20 N 0.36 1.23 -0.37 1.25 5.08 -0.40 -1.71 114.58 120.03 3hx9 h GLU 20 Ca 0.19 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hx9 h GLU 20 Cb 0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3hx9 h GLU 20 CO -0.17 0.90 0.24 -0.22 -1.00 0.00 0.00 179.01 178.76 3hx9 h LYS 21 N 1.24 0.47 -0.57 2.33 3.64 -0.97 -0.59 116.57 122.12 3hx9 h LYS 21 Ca 0.31 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3hx9 h LYS 21 Cb 0.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3hx9 h LYS 21 CO -0.05 0.31 0.30 0.00 -2.27 0.00 0.00 179.45 177.74 3hx9 h ARG 22 N 0.48 0.81 -0.60 1.90 3.08 -1.00 -1.37 114.38 117.68 3hx9 h ARG 22 Ca 0.14 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3hx9 h ARG 22 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3hx9 h ARG 22 CO -0.04 0.63 0.08 0.74 -1.07 0.00 0.00 179.97 180.31 3hx9 h PHE 23 N 0.77 1.07 -0.52 3.04 0.04 -1.08 -2.62 116.94 117.65 3hx9 h PHE 23 Ca 0.20 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hx9 h PHE 23 Cb 0.07 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3hx9 h PHE 23 CO -0.01 0.93 0.32 0.00 -0.60 0.00 0.00 178.31 178.96 3hx9 h ALA 24 N 1.01 0.66 -0.46 2.45 0.00 -0.87 0.03 119.26 122.07 3hx9 h ALA 24 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hx9 h ALA 24 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hx9 h ALA 24 CO 0.02 0.13 0.27 1.25 0.00 0.00 0.00 179.25 180.92 3hx9 h HIS 25 N 0.70 0.60 -0.35 0.00 -0.00 -1.19 -2.80 115.15 112.11 3hx9 h HIS 25 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3hx9 h HIS 25 Cb -0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 3hx9 h HIS 25 CO -0.03 0.41 0.01 0.54 -0.00 0.00 0.00 177.93 178.86 3hx9 n ARG 26 N -4.43 3.42 0.25 5.26 1.74 -0.90 -4.68 116.66 117.31 3hx9 n ARG 26 Ca 0.04 -2.94 0.11 0.00 -0.77 0.00 0.00 57.85 54.28 3hx9 n ARG 26 Cb 0.08 -1.96 0.72 0.00 -1.02 0.00 0.00 32.46 30.28 3hx9 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hx9 h ALA 27 N 2.35 1.90 -0.58 7.54 0.00 -0.72 -1.10 119.26 128.65 3hx9 h ALA 27 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hx9 h ALA 27 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3hx9 h ALA 27 CO 0.31 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.23 3hx9 n HIS 28 N -4.33 1.51 0.17 0.00 8.25 -1.26 -4.58 115.22 114.97 3hx9 n HIS 28 Ca -0.02 -0.66 0.16 0.00 -0.26 0.00 0.00 57.72 56.95 3hx9 n HIS 28 Cb 0.13 -0.30 0.77 0.00 1.12 0.00 0.00 29.99 31.71 3hx9 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hx9 h ALA 29 N 3.76 1.99 -0.01 -1.41 0.00 -1.56 -2.48 119.26 119.56 3hx9 h ALA 29 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hx9 h ALA 29 Cb 1.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3hx9 h ALA 29 CO 0.27 -0.32 -0.41 0.28 0.00 0.00 0.00 179.25 179.07 3hx9 n VAL 30 N -4.06 0.00 -1.52 0.00 0.31 -1.26 -5.02 118.33 106.78 3hx9 n VAL 30 Ca 0.03 -0.29 -0.51 0.00 -0.01 0.00 0.00 64.34 63.55 3hx9 n VAL 30 Cb 0.35 1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 34.33 3hx9 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hx9 n GLU 31 N -0.60 0.64 -1.01 5.55 2.13 -0.94 -1.53 120.64 124.89 3hx9 n GLU 31 Ca 0.04 0.23 -0.00 0.00 0.66 0.00 0.00 57.16 58.09 3hx9 n GLU 31 Cb 0.26 -1.62 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 3hx9 n GLU 31 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hx9 n ASN 32 N 1.87 -4.65 -4.77 4.31 5.03 -1.26 -5.00 115.26 110.80 3hx9 n ASN 32 Ca 0.17 0.01 -0.38 0.00 0.87 0.00 0.00 54.58 55.24 3hx9 n ASN 32 Cb 0.21 -2.18 -0.02 0.00 -1.02 0.00 0.00 39.78 36.77 3hx9 n ASN 32 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3hx9 s SER 33 N -2.03 6.49 0.21 6.41 0.01 -0.58 -4.91 113.70 119.30 3hx9 s SER 33 Ca 0.00 2.36 -0.31 0.00 1.31 0.00 0.00 55.95 59.31 3hx9 s SER 33 Cb 0.00 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 3hx9 s SER 33 CO 0.00 -0.70 1.49 -2.84 0.41 0.00 0.00 173.24 171.60 3hx9 s PRO 34 N -2.32 4.25 0.00 12.44 0.02 -1.26 -1.61 135.00 146.52 3hx9 s PRO 34 Ca 0.57 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3hx9 s PRO 34 Cb -0.31 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3hx9 s PRO 34 CO 0.39 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 3hx9 n GLY 35 N 2.88 0.91 3.72 0.52 0.00 -1.26 -4.79 105.19 107.17 3hx9 n GLY 35 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3hx9 n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hx9 s PHE 36 N -3.64 3.57 -0.82 1.61 5.36 -0.64 -0.20 117.98 123.24 3hx9 s PHE 36 Ca 0.00 1.20 0.08 0.00 -0.96 0.00 0.00 56.93 57.25 3hx9 s PHE 36 Cb 0.00 -2.76 0.17 0.00 -0.34 0.00 0.00 43.02 40.08 3hx9 s PHE 36 CO 0.00 0.11 1.03 1.28 -1.46 0.00 0.00 175.22 176.18 3hx9 n LEU 37 N 3.71 2.33 0.00 6.12 4.77 0.65 -4.85 117.00 129.73 3hx9 n LEU 37 Ca -0.02 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3hx9 n LEU 37 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hx9 n LEU 37 CO 0.46 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3hx9 n GLY 38 N 0.33 1.34 3.38 -0.72 0.00 -1.24 -4.86 105.19 103.43 3hx9 n GLY 38 Ca 0.07 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 3hx9 n GLY 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hx9 s PHE 39 N -1.24 -0.26 0.07 1.61 -0.12 -1.26 -1.07 117.98 115.71 3hx9 s PHE 39 Ca 0.00 -0.04 0.06 0.00 -0.05 0.00 0.00 56.93 56.90 3hx9 s PHE 39 Cb 0.00 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 3hx9 s PHE 39 CO 0.00 -0.78 -0.17 -0.65 -0.05 0.00 0.00 175.22 173.57 3hx9 s GLN 40 N -3.81 1.00 -0.24 1.99 1.11 -0.09 -4.98 119.66 114.65 3hx9 s GLN 40 Ca 0.04 -0.99 -0.08 0.00 0.01 0.00 0.00 55.36 54.33 3hx9 s GLN 40 Cb 0.01 -1.11 -0.04 0.00 -1.01 0.00 0.00 33.01 30.86 3hx9 s GLN 40 CO -0.10 0.26 0.10 -1.17 0.01 0.00 0.00 175.29 174.39 3hx9 s LEU 41 N -1.63 3.72 -0.22 2.90 2.96 -1.26 -0.69 118.68 124.45 3hx9 s LEU 41 Ca 0.02 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3hx9 s LEU 41 Cb -0.09 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3hx9 s LEU 41 CO 0.03 0.02 0.01 -0.76 -1.32 0.00 0.00 176.35 174.32 3hx9 s LEU 42 N 1.31 3.21 -0.12 -0.68 1.43 0.12 -5.00 118.68 118.96 3hx9 s LEU 42 Ca 0.06 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 3hx9 s LEU 42 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hx9 s LEU 42 CO 0.05 0.01 0.69 -0.60 0.23 0.00 0.00 176.35 176.73 3hx9 s ARG 43 N 1.29 4.35 0.21 1.70 3.52 -1.26 -1.75 118.95 127.02 3hx9 s ARG 43 Ca 0.04 0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 56.15 3hx9 s ARG 43 Cb -0.15 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.66 3hx9 s ARG 43 CO 0.01 -0.08 1.20 -1.25 -0.81 0.00 0.00 175.30 174.37 3hx9 s PRO 44 N 1.31 4.49 -0.07 5.12 0.04 -1.26 -4.93 135.00 139.71 3hx9 s PRO 44 Ca 0.35 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.30 3hx9 s PRO 44 Cb -0.17 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3hx9 s PRO 44 CO 0.15 -0.07 -0.06 0.28 0.04 0.00 0.00 177.00 177.34 3hx9 n VAL 45 N 2.20 0.38 -3.66 -0.36 0.31 -1.26 -5.03 118.33 110.90 3hx9 n VAL 45 Ca 0.03 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 3hx9 n VAL 45 Cb 0.44 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 3hx9 n VAL 45 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3hx9 s LYS 46 N -2.13 0.72 0.00 5.55 2.20 -1.26 -4.96 119.74 119.86 3hx9 s LYS 46 Ca -0.09 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 3hx9 s LYS 46 Cb 0.02 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3hx9 s LYS 46 CO 0.16 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3hx9 n GLY 47 N 2.90 2.08 3.13 5.54 0.00 -1.26 -4.96 105.19 112.62 3hx9 n GLY 47 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3hx9 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hx9 s GLU 48 N -0.45 0.37 -0.01 1.61 2.56 -1.26 -5.05 118.70 116.47 3hx9 s GLU 48 Ca 0.00 0.11 0.18 0.00 0.00 0.00 0.00 54.97 55.26 3hx9 s GLU 48 Cb 0.00 0.17 -0.22 0.00 2.00 0.00 0.00 34.13 36.08 3hx9 s GLU 48 CO 0.00 -0.07 0.65 -0.85 -0.56 0.00 0.00 175.26 174.43 3hx9 n GLU 49 N 2.44 0.93 -3.32 4.30 0.00 -1.26 -4.51 120.64 119.21 3hx9 n GLU 49 Ca -0.16 -0.05 -0.34 0.00 0.00 0.00 0.00 57.16 56.61 3hx9 n GLU 49 Cb 0.57 -1.37 -0.06 0.00 0.00 0.00 0.00 31.44 30.58 3hx9 n GLU 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3hx9 s ARG 50 N -2.87 3.94 0.44 3.44 0.52 -1.26 -4.67 118.95 118.49 3hx9 s ARG 50 Ca 0.03 0.48 -0.23 0.00 -0.52 0.00 0.00 55.73 55.48 3hx9 s ARG 50 Cb 0.13 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.78 3hx9 s ARG 50 CO 0.74 0.36 1.12 0.71 0.02 0.00 0.00 175.30 178.26 3hx9 s TYR 51 N -1.68 3.02 -0.18 -0.53 2.02 -0.80 -4.23 117.35 114.97 3hx9 s TYR 51 Ca 0.44 1.57 -0.02 0.00 -0.37 0.00 0.00 57.07 58.70 3hx9 s TYR 51 Cb -0.13 -3.28 -0.01 0.00 -0.40 0.00 0.00 41.96 38.14 3hx9 s TYR 51 CO 0.20 -1.17 -0.08 -0.06 -1.57 0.00 0.00 175.55 172.86 3hx9 s PHE 52 N -1.59 2.91 -0.54 2.71 0.40 -0.71 -1.09 117.98 120.06 3hx9 s PHE 52 Ca 0.61 -0.80 -0.13 0.00 -0.60 0.00 0.00 56.93 56.01 3hx9 s PHE 52 Cb -0.26 -1.99 0.13 0.00 0.51 0.00 0.00 43.02 41.41 3hx9 s PHE 52 CO 0.32 -0.39 0.46 0.08 0.70 0.00 0.00 175.22 176.39 3hx9 s VAL 53 N 0.96 4.83 -0.47 -0.44 1.01 -0.19 -0.70 120.40 125.40 3hx9 s VAL 53 Ca -0.01 -1.71 -0.18 0.00 0.00 0.00 0.00 61.98 60.07 3hx9 s VAL 53 Cb -0.15 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3hx9 s VAL 53 CO -0.00 -0.85 0.53 -0.69 0.00 0.00 0.00 175.10 174.09 3hx9 s VAL 54 N 1.37 4.99 0.07 2.92 1.01 0.13 -0.91 120.40 129.99 3hx9 s VAL 54 Ca 0.05 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3hx9 s VAL 54 Cb -0.27 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 3hx9 s VAL 54 CO 0.01 -0.63 -0.07 0.42 0.00 0.00 0.00 175.10 174.82 3hx9 s THR 55 N 2.33 3.58 -0.06 3.92 -4.23 -0.24 -0.91 115.64 120.03 3hx9 s THR 55 Ca 0.13 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 3hx9 s THR 55 Cb -0.19 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.00 3hx9 s THR 55 CO 0.12 0.20 -0.21 -1.00 -0.54 0.00 0.00 174.62 173.19 3hx9 s HIS 56 N -1.17 2.07 0.06 3.99 3.76 -0.24 -1.02 115.29 122.74 3hx9 s HIS 56 Ca 0.21 -0.65 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3hx9 s HIS 56 Cb -0.11 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 3hx9 s HIS 56 CO 0.13 -0.23 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.13 3hx9 s TRP 57 N 0.04 0.78 0.39 1.40 0.52 -0.74 -0.25 118.94 121.08 3hx9 s TRP 57 Ca -0.06 -0.59 0.07 0.00 0.02 0.00 0.00 56.10 55.53 3hx9 s TRP 57 Cb -0.13 -0.46 0.77 0.00 -1.15 0.00 0.00 33.47 32.50 3hx9 s TRP 57 CO 0.04 -0.08 1.98 0.93 0.02 0.00 0.00 176.95 179.83 3hx9 h GLU 58 N 4.10 0.47 -3.48 4.98 5.08 -0.88 -0.50 114.58 124.35 3hx9 h GLU 58 Ca -0.36 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3hx9 h GLU 58 Cb 1.19 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.23 3hx9 h GLU 58 CO 0.46 0.42 -0.11 -1.54 -1.00 0.00 0.00 179.01 177.24 3hx9 s SER 59 N -6.75 -0.17 0.33 1.42 1.04 -1.26 -4.12 113.70 104.19 3hx9 s SER 59 Ca -0.07 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.90 3hx9 s SER 59 Cb 0.16 0.49 0.57 0.00 0.10 0.00 0.00 66.02 67.35 3hx9 s SER 59 CO 0.74 -0.91 1.92 -0.78 0.98 0.00 0.00 173.24 175.19 3hx9 h ASP 60 N 2.38 0.64 -0.26 7.02 3.58 -1.95 -2.48 116.42 125.35 3hx9 h ASP 60 Ca -0.32 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.01 3hx9 h ASP 60 Cb 1.25 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 3hx9 h ASP 60 CO 0.45 0.59 0.02 -0.33 -2.88 0.00 0.00 179.24 177.09 3hx9 h GLU 61 N 0.70 0.55 -0.27 0.28 5.08 -1.99 0.13 114.58 119.06 3hx9 h GLU 61 Ca 0.17 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3hx9 h GLU 61 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hx9 h GLU 61 CO -0.01 0.55 0.02 0.00 -1.00 0.00 0.00 179.01 178.57 3hx9 h ALA 62 N 1.51 0.37 0.02 3.43 0.00 -1.80 -0.24 119.26 122.54 3hx9 h ALA 62 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hx9 h ALA 62 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hx9 h ALA 62 CO 0.01 0.08 -0.02 0.35 0.00 0.00 0.00 179.25 179.67 3hx9 h PHE 63 N 0.27 -0.06 -0.86 0.00 3.57 -0.93 -2.64 116.94 116.28 3hx9 h PHE 63 Ca 0.08 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3hx9 h PHE 63 Cb 0.39 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3hx9 h PHE 63 CO 0.03 -0.04 0.56 1.96 -2.23 0.00 0.00 178.31 178.60 3hx9 h GLN 64 N -0.05 0.94 -0.48 1.11 1.08 -0.59 0.18 115.11 117.30 3hx9 h GLN 64 Ca 0.00 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3hx9 h GLN 64 Cb 0.05 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3hx9 h GLN 64 CO -0.01 0.62 0.19 0.00 -0.95 0.00 0.00 178.83 178.68 3hx9 h ALA 65 N 1.53 0.62 0.14 3.87 0.00 -0.79 -1.47 119.26 123.17 3hx9 h ALA 65 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hx9 h ALA 65 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hx9 h ALA 65 CO -0.14 0.24 -0.07 2.35 0.00 0.00 0.00 179.25 181.63 3hx9 h TRP 66 N 0.63 -0.18 -0.55 0.00 7.01 -1.07 -2.50 115.95 119.29 3hx9 h TRP 66 Ca 0.16 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3hx9 h TRP 66 Cb 0.20 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 3hx9 h TRP 66 CO 0.00 0.16 0.25 0.00 -2.79 0.00 0.00 178.44 176.07 3hx9 h ALA 67 N 0.25 1.42 0.00 2.65 0.00 -0.97 0.14 119.26 122.75 3hx9 h ALA 67 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hx9 h ALA 67 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx9 h ALA 67 CO 0.03 0.46 -0.66 -0.91 0.00 0.00 0.00 179.25 178.17 3hx9 h ASN 68 N 0.77 0.00 0.00 0.00 2.35 -1.33 -3.38 115.58 113.99 3hx9 h ASN 68 Ca 0.19 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hx9 h ASN 68 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hx9 h ASN 68 CO -0.02 0.10 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 3hx9 n GLY 69 N 1.33 0.69 0.36 2.83 0.00 -0.94 -4.79 105.19 104.67 3hx9 n GLY 69 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3hx9 n GLY 69 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hx9 h PRO 70 N 0.00 0.62 -0.90 1.61 0.11 -1.71 -1.78 132.00 129.95 3hx9 h PRO 70 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3hx9 h PRO 70 Cb 0.00 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 3hx9 h PRO 70 CO 0.00 0.41 0.51 0.00 -0.21 0.00 0.00 178.00 178.71 3hx9 h ALA 71 N 1.63 1.20 0.01 -0.75 0.00 -0.97 -2.11 119.26 118.27 3hx9 h ALA 71 Ca 0.34 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3hx9 h ALA 71 Cb 0.46 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hx9 h ALA 71 CO -0.12 0.66 -0.43 0.82 0.00 0.00 0.00 179.25 180.18 3hx9 h ILE 72 N 1.26 1.50 -0.13 0.00 2.04 -1.53 -3.24 117.51 117.41 3hx9 h ILE 72 Ca 0.32 -2.06 0.04 0.00 1.00 0.00 0.00 64.86 64.16 3hx9 h ILE 72 Cb -0.00 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3hx9 h ILE 72 CO -0.05 0.58 0.11 0.00 0.00 0.00 0.00 178.15 178.78 3hx9 h ALA 73 N 0.26 1.93 0.00 1.87 0.00 -1.21 -2.06 119.26 120.06 3hx9 h ALA 73 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hx9 h ALA 73 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hx9 h ALA 73 CO 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3hx9 n ALA 74 N -2.46 1.74 0.12 0.00 0.00 -0.81 -3.24 120.51 115.87 3hx9 n ALA 74 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.41 3hx9 n ALA 74 Cb 0.23 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.43 3hx9 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hx9 h HIS 75 N 0.00 0.00 -4.02 0.00 3.86 -1.54 -3.45 115.15 110.00 3hx9 h HIS 75 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3hx9 h HIS 75 Cb 0.23 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.81 3hx9 h HIS 75 CO 0.00 0.50 0.58 0.00 0.86 0.00 0.00 177.93 179.87 3hx9 s ALA 76 N -2.96 2.95 0.00 2.45 0.00 -1.20 -2.53 121.76 120.46 3hx9 s ALA 76 Ca 0.03 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3hx9 s ALA 76 Cb 0.08 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3hx9 s ALA 76 CO 0.76 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3hx9 n GLY 77 N 0.63 0.56 3.63 0.00 0.00 -1.26 -5.00 105.19 103.74 3hx9 n GLY 77 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3hx9 n GLY 77 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hx9 s HIS 78 N -2.46 2.52 0.00 1.61 3.76 -1.05 -5.13 115.29 114.54 3hx9 s HIS 78 Ca 0.00 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3hx9 s HIS 78 Cb 0.00 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.04 3hx9 s HIS 78 CO 0.00 0.44 0.00 0.54 -0.85 0.00 0.00 174.74 174.87 3hx9 n ARG 79 N -0.97 0.00 -0.07 1.40 1.74 -1.26 -5.05 116.66 112.45 3hx9 n ARG 79 Ca -0.04 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 3hx9 n ARG 79 Cb 0.65 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.99 3hx9 n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hx9 n ALA 80 N 0.00 1.66 -3.00 7.54 0.00 -1.26 -5.12 120.51 120.33 3hx9 n ALA 80 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3hx9 n ALA 80 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3hx9 n ALA 80 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hx9 n ASN 81 N -2.65 0.00 -4.88 0.00 2.04 -1.26 -5.02 115.26 103.50 3hx9 n ASN 81 Ca -0.24 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.59 3hx9 n ASN 81 Cb 0.90 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 38.17 3hx9 n ASN 81 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3hx9 s PRO 82 N 4.80 3.43 0.01 -0.53 0.04 -1.26 -5.12 135.00 136.38 3hx9 s PRO 82 Ca 0.00 0.65 0.13 0.00 0.04 0.00 0.00 61.00 61.82 3hx9 s PRO 82 Cb 0.00 -2.08 -0.20 0.00 0.04 0.00 0.00 34.50 32.26 3hx9 s PRO 82 CO 0.00 -0.65 0.78 -0.39 0.04 0.00 0.00 177.00 176.77 3hx9 h VAL 83 N -0.36 0.82 -4.02 -0.36 -1.51 -1.96 -3.48 116.25 105.37 3hx9 h VAL 83 Ca -0.44 -2.56 -0.56 0.00 -1.23 0.00 0.00 66.70 61.91 3hx9 h VAL 83 Cb 1.21 2.35 0.15 0.00 -2.13 0.00 0.00 31.29 32.86 3hx9 h VAL 83 CO 0.62 0.47 0.56 0.00 -1.23 0.00 0.00 177.57 177.99 3hx9 n ALA 84 N -2.49 1.40 -0.88 5.19 0.00 -1.26 -4.45 120.51 118.03 3hx9 n ALA 84 Ca -0.13 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3hx9 n ALA 84 Cb 0.98 -2.34 0.19 0.00 0.00 0.00 0.00 19.45 18.28 3hx9 n ALA 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hx9 n THR 85 N -1.33 1.93 0.00 0.00 -2.24 0.27 -5.00 114.28 107.91 3hx9 n THR 85 Ca 0.12 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 3hx9 n THR 85 Cb 0.46 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3hx9 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hx9 n GLY 86 N -0.76 2.27 3.35 3.38 0.00 -1.26 -4.92 105.19 107.25 3hx9 n GLY 86 Ca 0.17 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3hx9 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx9 s ALA 87 N -2.00 -1.13 -0.05 4.61 0.00 -1.26 -0.86 121.76 121.08 3hx9 s ALA 87 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3hx9 s ALA 87 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3hx9 s ALA 87 CO 0.00 -0.47 -0.03 -1.12 0.00 0.00 0.00 175.76 174.15 3hx9 s SER 88 N -1.96 0.96 -0.20 0.00 0.01 -0.41 -4.96 113.70 107.15 3hx9 s SER 88 Ca -0.06 -0.10 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 3hx9 s SER 88 Cb -0.01 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 3hx9 s SER 88 CO -0.02 -0.09 0.68 -0.22 0.41 0.00 0.00 173.24 174.00 3hx9 s LEU 89 N 1.13 4.14 -0.18 2.44 2.96 -1.26 -0.54 118.68 127.37 3hx9 s LEU 89 Ca -0.08 0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3hx9 s LEU 89 Cb -0.14 -2.97 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 3hx9 s LEU 89 CO -0.01 -0.31 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.89 3hx9 s LEU 90 N 2.02 3.03 -0.05 -0.68 1.43 0.82 -4.96 118.68 120.29 3hx9 s LEU 90 Ca 0.31 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3hx9 s LEU 90 Cb -0.16 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3hx9 s LEU 90 CO 0.11 0.10 -0.22 -1.61 0.23 0.00 0.00 176.35 174.95 3hx9 s GLU 91 N 0.79 2.29 0.09 1.70 2.02 -1.26 -0.23 118.70 124.10 3hx9 s GLU 91 Ca -0.02 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.15 3hx9 s GLU 91 Cb -0.15 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 3hx9 s GLU 91 CO 0.02 0.32 0.05 -0.06 0.02 0.00 0.00 175.26 175.60 3hx9 s PHE 92 N -0.06 0.59 -0.06 1.61 0.08 -0.07 -5.02 117.98 115.05 3hx9 s PHE 92 Ca -0.04 -1.05 0.02 0.00 0.12 0.00 0.00 56.93 55.97 3hx9 s PHE 92 Cb -0.13 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.93 3hx9 s PHE 92 CO 0.03 -0.47 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.38 3hx9 s GLU 93 N -3.96 2.66 -0.18 0.44 2.02 -1.26 -1.79 118.70 116.62 3hx9 s GLU 93 Ca 0.14 -0.60 -0.27 0.00 0.02 0.00 0.00 54.97 54.25 3hx9 s GLU 93 Cb 0.07 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 3hx9 s GLU 93 CO -0.05 0.65 0.92 0.08 0.02 0.00 0.00 175.26 176.88 3hx9 s VAL 94 N -0.81 4.80 -0.16 2.63 1.01 -0.55 -4.90 120.40 122.42 3hx9 s VAL 94 Ca 0.13 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.77 3hx9 s VAL 94 Cb -0.11 -4.22 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 3hx9 s VAL 94 CO 0.02 -0.05 0.31 0.58 0.00 0.00 0.00 175.10 175.96 3hx9 h VAL 95 N 5.28 0.81 -3.45 2.92 2.07 -1.99 -3.42 116.25 118.48 3hx9 h VAL 95 Ca -0.26 -2.27 -0.11 0.00 0.82 0.00 0.00 66.70 64.88 3hx9 h VAL 95 Cb 1.11 2.38 -0.18 0.00 -1.52 0.00 0.00 31.29 33.08 3hx9 h VAL 95 CO 0.89 0.59 -0.37 -1.48 0.02 0.00 0.00 177.57 177.21 3hx9 s LEU 96 N -7.51 1.26 -0.26 2.57 0.05 -1.26 -5.14 118.68 108.39 3hx9 s LEU 96 Ca -0.25 -0.26 -0.02 0.00 0.05 0.00 0.00 54.13 53.65 3hx9 s LEU 96 Cb 0.06 1.01 0.13 0.00 -2.05 0.00 0.00 46.19 45.34 3hx9 s LEU 96 CO 0.68 -0.52 0.31 -0.62 -0.55 0.00 0.00 176.35 175.65 3hx9 s ASP 97 N -1.88 1.04 0.17 1.48 -1.08 -1.26 -5.17 116.67 109.98 3hx9 s ASP 97 Ca -0.08 -0.31 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 3hx9 s ASP 97 Cb -0.03 0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 42.12 3hx9 s ASP 97 CO -0.02 -0.34 -0.03 0.68 0.52 0.00 0.00 175.17 175.97 3hx9 s VAL 98 N 2.43 3.56 0.00 1.11 -7.23 -1.26 -5.15 120.40 113.86 3hx9 s VAL 98 Ca 0.10 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3hx9 s VAL 98 Cb -0.15 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.02 3hx9 s VAL 98 CO -0.23 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3hx9 n GLY 99 N 0.00 -0.07 0.06 2.32 0.00 -1.26 -5.01 105.19 101.23 3hx9 n GLY 99 Ca -0.10 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.25 3hx9 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx9 n GLY 100 N 5.00 -1.27 3.56 -0.02 0.00 -1.26 -4.98 105.19 106.22 3hx9 n GLY 100 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 3hx9 n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hx9 s THR 101 N -3.35 1.89 0.00 2.61 -4.23 -1.26 -5.38 115.64 105.93 3hx9 s THR 101 Ca -0.01 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3hx9 s THR 101 Cb 0.12 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3hx9 s THR 101 CO 0.82 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.43