#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy9 s ILE 2 N 0.00 3.37 -0.27 1.12 1.09 -0.71 -5.00 121.20 120.79 2jy9 s ILE 2 Ca 0.00 -1.53 -0.16 0.00 -1.10 0.00 0.00 60.65 57.86 2jy9 s ILE 2 Cb 0.00 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 2jy9 s ILE 2 CO 0.00 -0.33 0.44 0.00 -0.10 0.00 0.00 174.94 174.95 2jy9 s ALA 3 N 1.27 3.57 0.66 9.38 0.00 -1.26 0.15 121.76 135.52 2jy9 s ALA 3 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2jy9 s ALA 3 Cb -0.21 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2jy9 s ALA 3 CO -0.01 -0.74 1.00 0.42 0.00 0.00 0.00 175.76 176.43 2jy9 s ILE 4 N 2.20 3.32 0.70 0.00 -1.09 0.41 -4.95 121.20 121.78 2jy9 s ILE 4 Ca 0.18 0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.56 2jy9 s ILE 4 Cb -0.16 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2jy9 s ILE 4 CO 0.10 -0.43 1.25 -0.94 -1.23 0.00 0.00 174.94 173.68 2jy9 s SER 5 N -4.37 4.34 -0.70 3.58 1.04 -1.26 -3.31 113.70 113.02 2jy9 s SER 5 Ca 0.57 2.49 -0.02 0.00 0.48 0.00 0.00 55.95 59.46 2jy9 s SER 5 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2jy9 s SER 5 CO 0.48 -2.17 0.25 0.54 0.98 0.00 0.00 173.24 173.31 2jy9 n ARG 6 N -2.37 -2.08 -1.58 4.02 1.74 -1.26 -3.68 116.66 111.45 2jy9 n ARG 6 Ca 0.15 0.41 -0.17 0.00 -0.77 0.00 0.00 57.85 57.46 2jy9 n ARG 6 Cb 0.49 -4.23 -0.07 0.00 -1.02 0.00 0.00 32.46 27.63 2jy9 n ARG 6 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jy9 n THR 7 N -3.81 -0.07 -3.07 0.55 5.66 -1.21 -4.93 114.28 107.40 2jy9 n THR 7 Ca -0.05 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.51 2jy9 n THR 7 Cb 0.56 -1.72 -0.05 0.00 -1.55 0.00 0.00 70.33 67.56 2jy9 n THR 7 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jy9 s VAL 8 N -2.51 4.74 0.15 1.08 1.01 -1.21 -4.94 120.40 118.71 2jy9 s VAL 8 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2jy9 s VAL 8 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2jy9 s VAL 8 CO 0.00 -0.95 0.28 -0.44 0.00 0.00 0.00 175.10 173.99 2jy9 s SER 9 N 2.91 6.32 -0.09 3.32 0.01 -1.26 -0.45 113.70 124.46 2jy9 s SER 9 Ca 0.18 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2jy9 s SER 9 Cb -0.18 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.17 2jy9 s SER 9 CO 0.12 0.06 -0.08 -0.63 0.41 0.00 0.00 173.24 173.12 2jy9 s ILE 10 N -1.73 0.95 0.53 1.44 1.01 0.12 -4.89 121.20 118.64 2jy9 s ILE 10 Ca 0.34 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2jy9 s ILE 10 Cb -0.11 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 2jy9 s ILE 10 CO 0.28 0.34 1.02 0.00 0.00 0.00 0.00 174.94 176.58 2jy9 s ALA 11 N 1.32 2.92 0.49 9.38 0.00 -1.26 -1.74 121.76 132.88 2jy9 s ALA 11 Ca -0.03 0.32 0.35 0.00 0.00 0.00 0.00 51.96 52.61 2jy9 s ALA 11 Cb -0.14 -3.18 1.88 0.00 0.00 0.00 0.00 23.12 21.68 2jy9 s ALA 11 CO -0.03 -0.43 2.21 -0.44 0.00 0.00 0.00 175.76 177.07 2jy9 h ASP 12 N 0.89 0.00 0.39 0.00 5.19 -1.95 -1.64 116.42 119.31 2jy9 h ASP 12 Ca -0.47 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.88 2jy9 h ASP 12 Cb 1.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2jy9 h ASP 12 CO 0.60 0.04 -0.27 -1.13 -3.12 0.00 0.00 179.24 175.35 2jy9 h ASN 13 N 0.00 0.00 1.36 6.45 -0.00 -2.05 -2.71 115.58 118.63 2jy9 h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jy9 h ASN 13 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2jy9 h ASN 13 CO 0.00 0.27 -0.32 -0.33 -0.00 0.00 0.00 177.43 177.05 2jy9 h GLU 14 N 0.00 0.00 -6.77 6.67 4.39 -1.67 -3.46 114.58 113.74 2jy9 h GLU 14 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2jy9 h GLU 14 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2jy9 h GLU 14 CO 0.04 0.00 0.11 -0.51 -1.16 0.00 0.00 179.01 177.49 2jy9 s LEU 15 N -4.98 4.01 -0.63 1.33 1.43 -1.02 -4.92 118.68 113.90 2jy9 s LEU 15 Ca 0.07 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.22 2jy9 s LEU 15 Cb 0.10 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.29 2jy9 s LEU 15 CO 0.68 -0.25 0.94 -1.61 0.23 0.00 0.00 176.35 176.34 2jy9 s GLU 16 N -3.14 3.14 -0.19 1.70 2.02 -1.04 -4.95 118.70 116.24 2jy9 s GLU 16 Ca 0.54 -0.75 -0.10 0.00 0.02 0.00 0.00 54.97 54.69 2jy9 s GLU 16 Cb -0.10 -4.20 -0.05 0.00 0.10 0.00 0.00 34.13 29.88 2jy9 s GLU 16 CO 0.20 -1.74 0.13 0.42 0.02 0.00 0.00 175.26 174.29 2jy9 s ILE 17 N 3.98 5.40 0.00 -1.63 -1.09 -1.26 -0.45 121.20 126.15 2jy9 s ILE 17 Ca 0.23 0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 2jy9 s ILE 17 Cb -0.16 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2jy9 s ILE 17 CO 0.12 0.46 0.03 0.42 -1.23 0.00 0.00 174.94 174.74 2jy9 s THR 18 N 0.23 0.07 -0.08 2.92 -4.23 0.28 -5.02 115.64 109.80 2jy9 s THR 18 Ca 0.09 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 2jy9 s THR 18 Cb -0.11 -0.24 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 2jy9 s THR 18 CO -0.01 -0.30 0.45 0.00 -0.54 0.00 0.00 174.62 174.22 2jy9 s ALA 19 N -0.93 3.55 -0.16 3.99 0.00 -1.26 -1.57 121.76 125.37 2jy9 s ALA 19 Ca -0.10 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2jy9 s ALA 19 Cb -0.06 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2jy9 s ALA 19 CO -0.00 0.16 1.38 0.42 0.00 0.00 0.00 175.76 177.72 2jy9 s ILE 20 N 0.04 4.07 -0.32 0.00 1.01 -0.94 -4.88 121.20 120.18 2jy9 s ILE 20 Ca 0.25 1.28 0.02 0.00 0.00 0.00 0.00 60.65 62.20 2jy9 s ILE 20 Cb -0.16 -3.88 0.43 0.00 0.01 0.00 0.00 42.46 38.86 2jy9 s ILE 20 CO 0.11 -0.18 1.68 -1.14 0.00 0.00 0.00 174.94 175.42 2jy9 n ARG 21 N 6.89 1.88 -2.08 2.79 3.00 -1.26 -4.38 116.66 123.51 2jy9 n ARG 21 Ca 0.15 -2.05 -0.03 0.00 -0.00 0.00 0.00 57.85 55.92 2jy9 n ARG 21 Cb 0.45 -1.80 -0.01 0.00 0.00 0.00 0.00 32.46 31.09 2jy9 n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jy9 n ALA 22 N -0.54 -0.01 1.95 5.13 0.00 -1.26 -5.01 120.51 120.77 2jy9 n ALA 22 Ca 0.41 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.62 2jy9 n ALA 22 Cb 1.19 0.23 0.36 0.00 0.00 0.00 0.00 19.45 21.23 2jy9 n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jy9 n GLN 23 N -0.10 0.97 0.00 0.00 3.00 -1.26 -4.22 117.38 115.78 2jy9 n GLN 23 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jy9 n GLN 23 Cb 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 30.24 29.15 2jy9 n GLN 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jy9 n GLY 24 N 0.66 2.10 3.27 1.08 0.00 -1.26 -4.76 105.19 106.27 2jy9 n GLY 24 Ca 0.09 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2jy9 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jy9 s ALA 25 N -1.00 -0.64 0.33 4.61 0.00 -1.26 -5.13 121.76 118.66 2jy9 s ALA 25 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.76 2jy9 s ALA 25 Cb 0.00 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.73 2jy9 s ALA 25 CO 0.00 -0.56 0.40 0.41 0.00 0.00 0.00 175.76 176.01 2jy9 n GLY 26 N -0.06 2.22 0.00 0.00 0.00 -1.26 -4.95 105.19 101.14 2jy9 n GLY 26 Ca -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2jy9 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jy9 n GLY 27 N 0.97 0.80 1.80 -0.02 0.00 -1.26 -5.12 105.19 102.36 2jy9 n GLY 27 Ca 0.06 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2jy9 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jy9 n GLN 28 N 0.00 1.18 -1.75 1.61 1.13 -1.26 -5.09 117.38 113.20 2jy9 n GLN 28 Ca 0.00 -1.84 -0.42 0.00 -1.94 0.00 0.00 57.00 52.80 2jy9 n GLN 28 Cb 0.00 0.65 -0.03 0.00 0.11 0.00 0.00 30.24 30.97 2jy9 n GLN 28 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2jy9 s HIS 29 N -2.05 2.43 -0.23 1.08 -3.43 -1.26 -4.95 115.29 106.89 2jy9 s HIS 29 Ca 0.03 0.15 -0.12 0.00 -0.80 0.00 0.00 55.06 54.32 2jy9 s HIS 29 Cb 0.00 -4.14 -0.05 0.00 -1.43 0.00 0.00 32.58 26.97 2jy9 s HIS 29 CO 0.02 -4.55 0.23 0.08 -2.00 0.00 0.00 174.74 168.53 2jy9 s VAL 30 N 2.20 5.31 -0.01 -5.38 1.01 -1.26 -4.88 120.40 117.39 2jy9 s VAL 30 Ca 0.78 0.33 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2jy9 s VAL 30 Cb -0.46 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2jy9 s VAL 30 CO 0.34 0.32 0.79 0.59 0.00 0.00 0.00 175.10 177.15 2jy9 n ASN 31 N 4.32 0.56 -4.84 3.32 4.13 -1.26 -5.08 115.26 116.41 2jy9 n ASN 31 Ca -0.13 -1.67 -0.33 0.00 1.68 0.00 0.00 54.58 54.14 2jy9 n ASN 31 Cb 0.52 -0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.59 2jy9 n ASN 31 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jy9 s LYS 32 N -0.45 4.09 0.71 3.52 -0.14 -1.26 -5.08 119.74 121.13 2jy9 s LYS 32 Ca 0.03 0.86 -0.07 0.00 -1.36 0.00 0.00 55.97 55.44 2jy9 s LYS 32 Cb 0.03 -2.32 0.07 0.00 -1.68 0.00 0.00 37.83 33.93 2jy9 s LYS 32 CO 0.00 0.06 1.02 -0.08 -0.76 0.00 0.00 175.35 175.60 2jy9 s THR 33 N -2.09 2.26 0.00 2.17 -1.32 -1.26 -4.93 115.64 110.47 2jy9 s THR 33 Ca 0.58 -0.28 -0.02 0.00 -1.21 0.00 0.00 61.69 60.75 2jy9 s THR 33 Cb -0.10 -2.98 -0.10 0.00 -1.51 0.00 0.00 72.50 67.81 2jy9 s THR 33 CO 0.16 0.00 2.45 -1.54 -2.21 0.00 0.00 174.62 173.49 2jy9 n SER 34 N -2.94 4.82 -3.90 8.08 3.41 -1.26 -4.53 113.62 117.30 2jy9 n SER 34 Ca 0.09 -2.33 -0.40 0.00 -0.26 0.00 0.00 58.87 55.97 2jy9 n SER 34 Cb 0.60 -1.14 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2jy9 n SER 34 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jy9 n SER 35 N 1.96 5.93 -4.42 4.04 7.64 -1.26 -4.61 113.62 122.90 2jy9 n SER 35 Ca 0.16 -3.42 -0.24 0.00 1.01 0.00 0.00 58.87 56.39 2jy9 n SER 35 Cb 0.61 -1.16 -0.11 0.00 -1.01 0.00 0.00 64.21 62.55 2jy9 n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jy9 s ALA 36 N -2.72 2.47 -0.18 -0.43 0.00 -1.26 -4.33 121.76 115.31 2jy9 s ALA 36 Ca 0.33 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 2jy9 s ALA 36 Cb 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2jy9 s ALA 36 CO 0.08 0.28 0.13 0.42 0.00 0.00 0.00 175.76 176.67 2jy9 s ILE 37 N -2.30 5.37 -0.26 0.00 -1.09 0.58 -2.21 121.20 121.29 2jy9 s ILE 37 Ca 0.24 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.82 2jy9 s ILE 37 Cb -0.05 -3.42 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 2jy9 s ILE 37 CO 0.11 0.48 0.06 -2.28 -1.23 0.00 0.00 174.94 172.09 2jy9 s HIS 38 N 0.05 1.49 0.03 3.97 5.65 -0.61 -2.30 115.29 123.58 2jy9 s HIS 38 Ca 0.09 -1.41 0.07 0.00 0.25 0.00 0.00 55.06 54.07 2jy9 s HIS 38 Cb -0.11 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.82 2jy9 s HIS 38 CO -0.01 -0.77 -0.20 -0.48 -0.65 0.00 0.00 174.74 172.63 2jy9 s LEU 39 N 1.69 2.52 -0.33 8.88 2.34 -1.15 -0.56 118.68 132.07 2jy9 s LEU 39 Ca 0.04 -0.44 -0.04 0.00 0.06 0.00 0.00 54.13 53.76 2jy9 s LEU 39 Cb -0.17 -1.47 0.06 0.00 -0.56 0.00 0.00 46.19 44.04 2jy9 s LEU 39 CO -0.18 0.27 0.07 -0.60 -1.06 0.00 0.00 176.35 174.85 2jy9 s ARG 40 N -1.31 2.43 -0.52 1.48 3.52 0.40 -2.61 118.95 122.35 2jy9 s ARG 40 Ca 0.14 -1.33 -0.18 0.00 -0.13 0.00 0.00 55.73 54.23 2jy9 s ARG 40 Cb -0.10 -3.35 0.08 0.00 -1.56 0.00 0.00 34.95 30.01 2jy9 s ARG 40 CO 0.04 -0.72 0.56 0.12 -0.81 0.00 0.00 175.30 174.49 2jy9 s PHE 41 N 1.29 3.12 0.01 5.12 5.36 0.18 -2.50 117.98 130.55 2jy9 s PHE 41 Ca -0.02 -0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2jy9 s PHE 41 Cb -0.20 -3.54 -0.04 0.00 -0.34 0.00 0.00 43.02 38.90 2jy9 s PHE 41 CO -0.00 -1.01 0.10 0.34 -1.46 0.00 0.00 175.22 173.19 2jy9 s ASP 42 N 2.92 5.75 -0.08 6.13 2.15 -1.26 -1.78 116.67 130.50 2jy9 s ASP 42 Ca 0.10 0.15 -0.14 0.00 0.43 0.00 0.00 52.55 53.09 2jy9 s ASP 42 Cb -0.23 -1.66 -0.29 0.00 -0.30 0.00 0.00 42.92 40.45 2jy9 s ASP 42 CO 0.08 0.25 0.61 0.40 -0.17 0.00 0.00 175.17 176.34 2jy9 h ILE 43 N 3.01 0.99 0.00 4.11 5.03 -1.92 -3.35 117.51 125.38 2jy9 h ILE 43 Ca -0.48 -2.45 -0.00 0.00 -0.12 0.00 0.00 64.86 61.80 2jy9 h ILE 43 Cb 1.18 2.75 -0.00 0.00 -3.03 0.00 0.00 36.82 37.71 2jy9 h ILE 43 CO 0.64 0.78 -0.02 -0.09 -0.68 0.00 0.00 178.15 178.77 2jy9 h ARG 44 N -0.12 0.00 0.00 2.37 2.43 -1.96 0.19 114.38 117.29 2jy9 h ARG 44 Ca -0.32 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 2jy9 h ARG 44 Cb 1.91 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.46 2jy9 h ARG 44 CO 0.11 0.02 -0.12 0.00 -1.51 0.00 0.00 179.97 178.48 2jy9 h ALA 45 N 1.98 1.43 -3.31 2.80 0.00 -1.95 -3.45 119.26 116.75 2jy9 h ALA 45 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jy9 h ALA 45 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jy9 h ALA 45 CO 0.00 0.14 0.00 0.45 0.00 0.00 0.00 179.25 179.85 2jy9 n SER 46 N -3.85 0.99 -3.54 0.00 2.88 0.06 -5.12 113.62 105.04 2jy9 n SER 46 Ca -0.02 -0.63 -0.27 0.00 -1.33 0.00 0.00 58.87 56.62 2jy9 n SER 46 Cb 0.21 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.57 2jy9 n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jy9 n GLY 47 N 2.47 2.96 3.82 0.46 0.00 -1.26 -4.94 105.19 108.69 2jy9 n GLY 47 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 2jy9 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jy9 s LEU 48 N -0.70 3.45 0.60 0.99 1.43 -1.26 -5.00 118.68 118.19 2jy9 s LEU 48 Ca 0.31 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 2jy9 s LEU 48 Cb 0.03 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 2jy9 s LEU 48 CO -0.17 -1.09 0.84 -2.65 0.23 0.00 0.00 176.35 173.51 2jy9 n PRO 49 N -2.15 0.77 -0.20 1.29 -0.02 -1.26 -4.67 135.00 128.76 2jy9 n PRO 49 Ca 0.08 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 2jy9 n PRO 49 Cb 0.53 -2.03 0.26 0.00 -0.02 0.00 0.00 33.50 32.24 2jy9 n PRO 49 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jy9 h GLU 50 N 0.39 0.95 -0.28 -0.52 4.11 -1.98 -0.41 114.58 116.84 2jy9 h GLU 50 Ca -0.48 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 58.87 2jy9 h GLU 50 Cb 1.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2jy9 h GLU 50 CO 0.50 0.63 0.09 1.88 0.07 0.00 0.00 179.01 182.17 2jy9 h TYR 51 N 0.98 0.45 -0.33 2.06 -1.99 -2.00 0.62 116.97 116.77 2jy9 h TYR 51 Ca 0.26 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.91 2jy9 h TYR 51 Cb -0.11 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 2jy9 h TYR 51 CO 0.00 0.48 0.08 1.88 -0.00 0.00 0.00 178.16 180.60 2jy9 h TYR 52 N 0.29 0.55 -0.48 4.88 0.05 -1.83 -2.34 116.97 118.10 2jy9 h TYR 52 Ca 0.09 -0.07 0.09 0.00 0.05 0.00 0.00 58.73 58.89 2jy9 h TYR 52 Cb 0.25 -0.16 -0.07 0.00 1.01 0.00 0.00 36.73 37.76 2jy9 h TYR 52 CO 0.01 0.58 0.05 -0.22 -1.05 0.00 0.00 178.16 177.52 2jy9 h LYS 53 N 0.37 0.16 -0.16 4.88 3.64 -0.73 -0.62 116.57 124.13 2jy9 h LYS 53 Ca 0.10 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 2jy9 h LYS 53 Cb 0.31 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2jy9 h LYS 53 CO 0.00 0.11 -0.55 -0.56 -2.27 0.00 0.00 179.45 176.18 2jy9 h GLN 54 N 0.17 0.65 -0.34 1.90 3.07 -0.87 -3.20 115.11 116.49 2jy9 h GLN 54 Ca 0.24 -0.49 -0.03 0.00 0.09 0.00 0.00 58.65 58.46 2jy9 h GLN 54 Cb 0.34 0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 2jy9 h GLN 54 CO -0.36 1.11 0.09 0.00 0.09 0.00 0.00 178.83 179.77 2jy9 h ARG 55 N 0.32 0.48 -0.83 0.06 2.47 -1.07 -1.54 114.38 114.27 2jy9 h ARG 55 Ca -0.02 -0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.68 2jy9 h ARG 55 Cb 1.18 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 29.35 2jy9 h ARG 55 CO 0.12 0.44 0.52 -0.07 0.56 0.00 0.00 179.97 181.53 2jy9 h LEU 56 N 0.48 0.82 0.00 3.04 3.38 -1.11 0.45 115.31 122.37 2jy9 h LEU 56 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jy9 h LEU 56 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jy9 h LEU 56 CO -0.01 0.54 -0.80 0.18 0.09 0.00 0.00 178.44 178.44 2jy9 n LEU 57 N -4.62 0.65 -0.06 1.67 7.99 -1.07 -4.27 117.00 117.29 2jy9 n LEU 57 Ca 0.11 0.10 -0.21 0.00 -0.01 0.00 0.00 56.01 56.00 2jy9 n LEU 57 Cb 0.15 -0.15 -0.13 0.00 -0.11 0.00 0.00 43.42 43.19 2jy9 n LEU 57 CO 0.32 -0.00 -0.97 0.41 -1.51 0.00 0.00 177.39 175.64 2jy9 n THR 58 N -2.01 1.64 -2.82 -5.08 -1.04 -0.60 -4.76 114.28 99.62 2jy9 n THR 58 Ca 0.03 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 2jy9 n THR 58 Cb 0.43 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2jy9 n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jy9 s ALA 59 N -2.51 3.09 -0.58 2.41 0.00 0.15 -4.96 121.76 119.36 2jy9 s ALA 59 Ca -0.28 -1.98 -0.27 0.00 0.00 0.00 0.00 51.96 49.43 2jy9 s ALA 59 Cb 0.08 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 2jy9 s ALA 59 CO 0.67 -2.92 1.94 -1.12 0.00 0.00 0.00 175.76 174.33 2jy9 s SER 60 N 3.77 5.17 -0.07 0.00 0.01 -1.26 -4.85 113.70 116.46 2jy9 s SER 60 Ca 0.27 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 2jy9 s SER 60 Cb -0.13 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 2jy9 s SER 60 CO 0.06 -2.42 -0.02 -1.00 0.41 0.00 0.00 173.24 170.27 2jy9 s HIS 61 N 9.45 3.08 -1.87 2.43 3.76 -1.26 -4.99 115.29 125.88 2jy9 s HIS 61 Ca 0.73 0.13 0.07 0.00 -0.15 0.00 0.00 55.06 55.84 2jy9 s HIS 61 Cb -0.14 -1.76 0.21 0.00 1.11 0.00 0.00 32.58 32.01 2jy9 s HIS 61 CO 0.22 0.42 1.14 0.72 -0.85 0.00 0.00 174.74 176.40 2jy9 n HIS 62 N 2.12 0.35 1.22 1.40 -0.00 -1.26 -1.95 115.22 117.10 2jy9 n HIS 62 Ca -0.18 -0.16 0.13 0.00 -0.00 0.00 0.00 57.72 57.51 2jy9 n HIS 62 Cb 0.53 -0.02 0.48 0.00 -0.00 0.00 0.00 29.99 30.98 2jy9 n HIS 62 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2jy9 n LEU 63 N 0.19 0.52 -4.75 2.41 4.32 -1.19 -2.33 117.00 116.17 2jy9 n LEU 63 Ca 0.08 0.02 -0.40 0.00 -0.02 0.00 0.00 56.01 55.69 2jy9 n LEU 63 Cb 0.23 -0.23 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2jy9 n LEU 63 CO 0.06 0.10 0.55 -0.63 -1.22 0.00 0.00 177.39 176.25 2jy9 s ILE 64 N -2.67 4.53 0.00 -0.08 -1.09 -0.82 -3.89 121.20 117.17 2jy9 s ILE 64 Ca 0.22 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 2jy9 s ILE 64 Cb 0.19 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2jy9 s ILE 64 CO 0.54 0.39 0.00 -0.24 -1.23 0.00 0.00 174.94 174.40 2jy9 n SER 65 N 2.47 0.00 0.00 3.58 2.88 0.36 -4.77 113.62 118.14 2jy9 n SER 65 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2jy9 n SER 65 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2jy9 n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2jy9 n ASP 66 N -0.29 0.00 -2.31 -3.46 5.75 -1.26 -4.88 116.55 110.10 2jy9 n ASP 66 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 2jy9 n ASP 66 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2jy9 n ASP 66 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2jy9 n ASP 67 N -0.34 6.17 -0.75 -1.12 2.03 -1.26 -4.58 116.55 116.69 2jy9 n ASP 67 Ca 0.00 -3.01 -0.07 0.00 0.52 0.00 0.00 54.79 52.23 2jy9 n ASP 67 Cb 0.00 -1.26 -0.00 0.00 -0.72 0.00 0.00 41.12 39.14 2jy9 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jy9 n GLY 68 N 1.22 0.13 3.55 0.27 0.00 -1.26 -5.03 105.19 104.07 2jy9 n GLY 68 Ca 0.45 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2jy9 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy9 s VAL 69 N -2.33 3.36 -0.23 1.61 0.11 -1.26 -4.81 120.40 116.85 2jy9 s VAL 69 Ca 0.00 -0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 2jy9 s VAL 69 Cb 0.00 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 2jy9 s VAL 69 CO 0.00 0.36 0.22 -0.63 -3.33 0.00 0.00 175.10 171.72 2jy9 s ILE 70 N -0.99 5.31 -0.14 7.04 1.09 -0.74 -0.49 121.20 132.29 2jy9 s ILE 70 Ca 0.17 0.32 0.02 0.00 -1.10 0.00 0.00 60.65 60.05 2jy9 s ILE 70 Cb -0.11 -3.56 0.01 0.00 -1.06 0.00 0.00 42.46 37.74 2jy9 s ILE 70 CO 0.07 0.31 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.40 2jy9 s ILE 71 N 1.17 1.93 -0.04 2.92 1.09 -1.25 0.49 121.20 127.51 2jy9 s ILE 71 Ca 0.10 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.76 2jy9 s ILE 71 Cb -0.14 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2jy9 s ILE 71 CO 0.06 0.52 0.03 -0.63 -0.10 0.00 0.00 174.94 174.82 2jy9 s ILE 72 N 0.98 4.47 0.07 2.92 1.09 -1.07 -4.91 121.20 124.75 2jy9 s ILE 72 Ca -0.04 -0.38 0.09 0.00 -1.10 0.00 0.00 60.65 59.22 2jy9 s ILE 72 Cb -0.15 -2.97 -0.03 0.00 -1.06 0.00 0.00 42.46 38.25 2jy9 s ILE 72 CO -0.05 0.46 -0.22 -0.54 -0.10 0.00 0.00 174.94 174.49 2jy9 s LYS 73 N -1.36 1.80 -0.13 2.79 1.02 -1.26 -2.94 119.74 119.66 2jy9 s LYS 73 Ca 0.18 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 2jy9 s LYS 73 Cb -0.12 -2.06 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 2jy9 s LYS 73 CO 0.08 0.50 0.32 0.00 -0.92 0.00 0.00 175.35 175.33 2jy9 s ALA 74 N -0.96 -0.78 -0.29 5.17 0.00 -0.97 -4.91 121.76 119.02 2jy9 s ALA 74 Ca 0.14 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2jy9 s ALA 74 Cb -0.10 -0.64 0.19 0.00 0.00 0.00 0.00 23.12 22.56 2jy9 s ALA 74 CO 0.05 -0.19 0.56 1.14 0.00 0.00 0.00 175.76 177.32 2jy9 s GLN 75 N 0.74 0.53 0.00 0.00 -2.07 -1.26 -0.31 119.66 117.29 2jy9 s GLN 75 Ca -0.05 0.66 0.00 0.00 -1.82 0.00 0.00 55.36 54.16 2jy9 s GLN 75 Cb -0.06 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2jy9 s GLN 75 CO -0.05 -0.86 0.00 0.39 -1.32 0.00 0.00 175.29 173.45 2jy9 n GLU 76 N 5.41 0.00 -0.27 9.60 -0.58 -1.26 -4.98 120.64 128.56 2jy9 n GLU 76 Ca 0.02 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.83 2jy9 n GLU 76 Cb 0.52 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.61 2jy9 n GLU 76 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jy9 n PHE 77 N -0.48 0.70 0.00 -0.32 7.35 -1.26 -4.90 117.46 118.54 2jy9 n PHE 77 Ca 0.00 -0.33 0.00 0.00 -0.76 0.00 0.00 57.45 56.36 2jy9 n PHE 77 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.80 2jy9 n PHE 77 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jy9 n ARG 78 N 0.86 0.00 -1.54 -4.13 1.74 -1.26 -4.91 116.66 107.42 2jy9 n ARG 78 Ca 0.16 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 2jy9 n ARG 78 Cb 0.44 -0.33 -0.05 0.00 -1.02 0.00 0.00 32.46 31.50 2jy9 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jy9 n SER 79 N 1.11 2.57 -0.17 0.55 7.64 -1.26 -4.82 113.62 119.24 2jy9 n SER 79 Ca 0.00 0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.96 2jy9 n SER 79 Cb 0.00 -1.46 0.31 0.00 -1.01 0.00 0.00 64.21 62.05 2jy9 n SER 79 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2jy9 h GLN 80 N 15.51 0.84 -0.22 1.43 7.50 -1.91 -2.55 115.11 135.71 2jy9 h GLN 80 Ca -0.31 -0.05 0.06 0.00 0.50 0.00 0.00 58.65 58.85 2jy9 h GLN 80 Cb 1.27 -0.19 -0.07 0.00 0.05 0.00 0.00 27.48 28.54 2jy9 h GLN 80 CO 1.05 0.56 -0.28 1.49 -1.50 0.00 0.00 178.83 180.14 2jy9 h GLU 81 N 0.87 -0.30 0.00 1.46 4.81 -1.99 0.66 114.58 120.09 2jy9 h GLU 81 Ca 0.27 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 2jy9 h GLU 81 Cb 0.00 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2jy9 h GLU 81 CO -0.07 -0.20 -0.82 1.37 -0.73 0.00 0.00 179.01 178.56 2jy9 h LEU 82 N -0.31 0.01 -0.64 1.64 8.10 -1.92 -1.92 115.31 120.28 2jy9 h LEU 82 Ca 0.12 -0.01 -0.13 0.00 0.11 0.00 0.00 57.88 57.98 2jy9 h LEU 82 Cb 0.50 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2jy9 h LEU 82 CO -0.39 0.83 -0.31 0.78 -4.11 0.00 0.00 178.44 175.23 2jy9 h ASN 83 N 0.00 0.76 -0.13 0.17 -0.26 -0.97 -1.54 115.58 113.61 2jy9 h ASN 83 Ca -0.01 -0.31 -0.04 0.00 -0.56 0.00 0.00 56.30 55.39 2jy9 h ASN 83 Cb 1.46 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 2jy9 h ASN 83 CO 0.11 1.01 -0.06 0.03 -1.06 0.00 0.00 177.43 177.46 2jy9 h ARG 84 N 0.62 0.26 -0.24 0.81 3.08 0.44 -1.94 114.38 117.41 2jy9 h ARG 84 Ca 0.07 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2jy9 h ARG 84 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2jy9 h ARG 84 CO 0.07 0.60 -0.13 1.05 -1.07 0.00 0.00 179.97 180.49 2jy9 h GLU 85 N -0.08 0.40 -0.40 0.04 4.11 -1.31 0.34 114.58 117.69 2jy9 h GLU 85 Ca 0.03 -0.11 -0.12 0.00 0.07 0.00 0.00 59.36 59.23 2jy9 h GLU 85 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2jy9 h GLU 85 CO 0.02 0.54 -0.23 0.00 0.07 0.00 0.00 179.01 179.41 2jy9 h ALA 86 N 1.49 0.85 -0.57 1.06 0.00 -1.28 0.33 119.26 121.14 2jy9 h ALA 86 Ca 0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2jy9 h ALA 86 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jy9 h ALA 86 CO 0.03 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.00 2jy9 h ALA 87 N 1.05 0.76 -0.05 0.00 0.00 -0.37 -0.43 119.26 120.23 2jy9 h ALA 87 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jy9 h ALA 87 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jy9 h ALA 87 CO 0.06 0.51 0.02 0.82 0.00 0.00 0.00 179.25 180.66 2jy9 h ILE 88 N 0.84 1.00 -0.63 0.00 2.04 -0.18 -0.33 117.51 120.26 2jy9 h ILE 88 Ca 0.17 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.09 2jy9 h ILE 88 Cb 0.42 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2jy9 h ILE 88 CO 0.01 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.48 2jy9 h ALA 89 N 1.02 0.84 -0.53 1.87 0.00 -0.72 0.16 119.26 121.89 2jy9 h ALA 89 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jy9 h ALA 89 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jy9 h ALA 89 CO -0.01 -0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.47 2jy9 h ARG 90 N 0.56 0.73 -0.16 0.00 2.47 -0.79 -1.05 114.38 116.13 2jy9 h ARG 90 Ca 0.30 -0.08 -0.20 0.00 -1.26 0.00 0.00 59.98 58.74 2jy9 h ARG 90 Cb 0.27 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2jy9 h ARG 90 CO -0.23 0.55 -0.70 1.37 0.56 0.00 0.00 179.97 181.53 2jy9 h LEU 91 N 0.71 0.79 -0.86 3.04 8.10 -0.32 -1.78 115.31 124.99 2jy9 h LEU 91 Ca 0.19 -0.49 -0.05 0.00 0.11 0.00 0.00 57.88 57.64 2jy9 h LEU 91 Cb 0.03 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 39.98 2jy9 h LEU 91 CO -0.03 1.26 0.26 0.58 -4.11 0.00 0.00 178.44 176.40 2jy9 h VAL 92 N 0.48 1.25 -0.50 0.15 2.07 -0.66 -1.58 116.25 117.46 2jy9 h VAL 92 Ca -0.03 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jy9 h VAL 92 Cb 1.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2jy9 h VAL 92 CO 0.14 0.33 0.31 0.00 0.02 0.00 0.00 177.57 178.37 2jy9 h ALA 93 N 1.21 0.64 -0.83 1.67 0.00 -1.03 -2.28 119.26 118.64 2jy9 h ALA 93 Ca 0.24 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2jy9 h ALA 93 Cb 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2jy9 h ALA 93 CO -0.01 0.13 0.55 0.28 0.00 0.00 0.00 179.25 180.19 2jy9 h VAL 94 N 0.68 1.09 -0.72 0.00 2.07 -0.81 0.12 116.25 118.68 2jy9 h VAL 94 Ca 0.18 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2jy9 h VAL 94 Cb -0.01 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.73 2jy9 h VAL 94 CO -0.03 0.18 0.40 0.40 0.02 0.00 0.00 177.57 178.54 2jy9 h ILE 95 N 0.98 0.95 -0.32 4.57 2.04 -0.74 -0.56 117.51 124.43 2jy9 h ILE 95 Ca 0.34 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.81 2jy9 h ILE 95 Cb 0.12 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2jy9 h ILE 95 CO -0.11 0.13 -0.38 0.11 0.00 0.00 0.00 178.15 177.90 2jy9 h LYS 96 N 0.72 0.76 -0.67 2.37 6.56 -0.82 -2.94 116.57 122.55 2jy9 h LYS 96 Ca 0.33 -0.38 0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2jy9 h LYS 96 Cb 0.24 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 2jy9 h LYS 96 CO -0.20 1.01 0.44 0.93 -2.06 0.00 0.00 179.45 179.57 2jy9 h GLU 97 N 0.63 0.88 0.00 3.15 4.39 0.22 -1.48 114.58 122.38 2jy9 h GLU 97 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jy9 h GLU 97 Cb 0.92 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2jy9 h GLU 97 CO 0.08 0.59 0.00 -0.07 -1.16 0.00 0.00 179.01 178.45 2jy9 h LEU 98 N 0.91 0.00 0.00 1.33 4.07 -1.14 -2.46 115.31 118.02 2jy9 h LEU 98 Ca 0.25 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.01 2jy9 h LEU 98 Cb -0.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 2jy9 h LEU 98 CO -0.05 0.00 -0.94 0.74 -1.08 0.00 0.00 178.44 177.10 2jy9 h THR 99 N 0.00 1.59 -3.56 0.22 2.02 -1.13 -3.46 112.91 108.60 2jy9 h THR 99 Ca 0.00 -3.26 -0.47 0.00 0.77 0.00 0.00 66.41 63.45 2jy9 h THR 99 Cb 0.62 2.79 0.06 0.00 -1.74 0.00 0.00 68.15 69.87 2jy9 h THR 99 CO 0.00 0.91 0.15 0.00 0.37 0.00 0.00 175.52 176.95 2jy9 s ALA 100 N -2.74 3.34 -1.31 6.16 0.00 -0.65 -4.98 121.76 121.58 2jy9 s ALA 100 Ca 0.01 -0.77 0.13 0.00 0.00 0.00 0.00 51.96 51.33 2jy9 s ALA 100 Cb 0.10 -2.55 0.52 0.00 0.00 0.00 0.00 23.12 21.19 2jy9 s ALA 100 CO 0.81 -0.83 1.39 0.39 0.00 0.00 0.00 175.76 177.52 2jy9 n GLU 101 N -2.58 2.93 -2.77 0.00 1.02 -1.26 -4.93 120.64 113.05 2jy9 n GLU 101 Ca 0.05 -2.06 -0.20 0.00 -0.02 0.00 0.00 57.16 54.93 2jy9 n GLU 101 Cb 0.58 -1.70 0.08 0.00 -0.02 0.00 0.00 31.44 30.38 2jy9 n GLU 101 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jy9 n GLN 102 N 0.78 0.37 -3.96 3.49 6.02 -1.26 -5.09 117.38 117.71 2jy9 n GLN 102 Ca 0.19 -2.90 -0.35 0.00 -0.01 0.00 0.00 57.00 53.93 2jy9 n GLN 102 Cb 0.66 -0.38 -0.06 0.00 1.02 0.00 0.00 30.24 31.48 2jy9 n GLN 102 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jy9 s LYS 103 N -4.72 3.35 -0.07 -1.09 -2.85 -1.26 -4.94 119.74 108.16 2jy9 s LYS 103 Ca 0.61 -0.26 -0.03 0.00 -1.00 0.00 0.00 55.97 55.30 2jy9 s LYS 103 Cb -0.04 -3.08 0.04 0.00 -2.06 0.00 0.00 37.83 32.68 2jy9 s LYS 103 CO 0.39 0.73 0.07 0.45 0.10 0.00 0.00 175.35 177.08 2jy9 s SER 104 N -1.37 1.41 -0.13 0.03 0.15 -1.26 -5.14 113.70 107.39 2jy9 s SER 104 Ca 0.19 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.79 2jy9 s SER 104 Cb -0.12 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 2jy9 s SER 104 CO 0.09 -0.27 -0.20 -0.60 1.20 0.00 0.00 173.24 173.46 2jy9 s ARG 105 N 2.16 2.83 -0.24 5.44 3.52 -1.26 -4.73 118.95 126.66 2jy9 s ARG 105 Ca 0.04 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 2jy9 s ARG 105 Cb -0.13 -2.30 0.12 0.00 -1.56 0.00 0.00 34.95 31.08 2jy9 s ARG 105 CO -0.04 -0.03 1.01 0.50 -0.81 0.00 0.00 175.30 175.93 2jy9 s ARG 106 N 0.86 0.55 -0.37 5.12 3.52 -1.26 -5.08 118.95 122.28 2jy9 s ARG 106 Ca -0.07 0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.88 2jy9 s ARG 106 Cb -0.15 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2jy9 s ARG 106 CO -0.02 -0.10 0.21 0.00 -0.81 0.00 0.00 175.30 174.57 2jy9 s ALA 107 N -0.19 3.30 -0.27 6.12 0.00 -1.26 -3.19 121.76 126.27 2jy9 s ALA 107 Ca 0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 2jy9 s ALA 107 Cb -0.04 -2.59 0.14 0.00 0.00 0.00 0.00 23.12 20.64 2jy9 s ALA 107 CO -0.04 -1.31 0.38 0.99 0.00 0.00 0.00 175.76 175.78 2jy9 s THR 108 N 1.57 -0.60 -0.37 0.00 2.01 -0.98 -5.01 115.64 112.26 2jy9 s THR 108 Ca 0.03 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.84 2jy9 s THR 108 Cb -0.19 -0.90 0.15 0.00 0.01 0.00 0.00 72.50 71.57 2jy9 s THR 108 CO 0.07 -0.22 0.24 -0.60 -0.69 0.00 0.00 174.62 173.42 2jy9 s ARG 109 N 2.53 0.64 -1.10 4.92 3.52 -1.26 -4.39 118.95 123.81 2jy9 s ARG 109 Ca 0.11 -1.51 -0.07 0.00 -0.13 0.00 0.00 55.73 54.13 2jy9 s ARG 109 Cb -0.14 -1.35 0.29 0.00 -1.56 0.00 0.00 34.95 32.19 2jy9 s ARG 109 CO -0.23 -1.25 1.26 -0.35 -0.81 0.00 0.00 175.30 173.92 2jy9 n PRO 110 N 3.77 3.90 -2.52 5.12 -0.04 -1.26 -5.03 135.00 138.94 2jy9 n PRO 110 Ca 0.16 -4.50 -0.43 0.00 -0.04 0.00 0.00 63.50 58.69 2jy9 n PRO 110 Cb 0.39 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 2jy9 n PRO 110 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jy9 s THR 111 N -1.87 4.09 -0.28 0.52 2.01 -1.26 -4.94 115.64 113.91 2jy9 s THR 111 Ca 0.31 1.09 0.01 0.00 0.31 0.00 0.00 61.69 63.41 2jy9 s THR 111 Cb -0.04 -4.50 0.17 0.00 0.01 0.00 0.00 72.50 68.13 2jy9 s THR 111 CO -0.01 -0.98 0.47 -0.60 -0.69 0.00 0.00 174.62 172.81 2jy9 s ARG 112 N 4.68 0.45 -0.23 4.92 3.52 -1.26 -5.13 118.95 125.90 2jy9 s ARG 112 Ca 0.52 0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 56.54 2jy9 s ARG 112 Cb -0.09 -0.09 0.12 0.00 -1.56 0.00 0.00 34.95 33.32 2jy9 s ARG 112 CO 0.31 -0.85 0.45 0.00 -0.81 0.00 0.00 175.30 174.40 2jy9 s ALA 113 N 2.65 -1.34 -0.17 6.12 0.00 -1.26 -5.10 121.76 122.67 2jy9 s ALA 113 Ca 0.13 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.49 2jy9 s ALA 113 Cb -0.13 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 21.52 2jy9 s ALA 113 CO -0.24 -0.97 0.31 -1.12 0.00 0.00 0.00 175.76 173.74 2jy9 s SER 114 N 2.65 0.30 -0.30 0.00 0.01 -1.26 -5.10 113.70 109.99 2jy9 s SER 114 Ca 0.04 0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.75 2jy9 s SER 114 Cb -0.13 0.89 0.19 0.00 0.21 0.00 0.00 66.02 67.17 2jy9 s SER 114 CO -0.15 -0.26 1.02 -0.75 0.41 0.00 0.00 173.24 173.52 2jy9 s LYS 115 N 2.48 0.17 -0.14 12.44 2.20 -1.26 -5.17 119.74 130.46 2jy9 s LYS 115 Ca 0.03 0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 55.67 2jy9 s LYS 115 Cb -0.13 0.06 0.05 0.00 -1.51 0.00 0.00 37.83 36.30 2jy9 s LYS 115 CO -0.11 -0.31 0.35 -2.00 -0.36 0.00 0.00 175.35 172.92 2jy9 s GLU 116 N 2.80 0.35 -0.28 4.03 2.12 -1.26 -5.11 118.70 121.35 2jy9 s GLU 116 Ca 0.25 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.21 2jy9 s GLU 116 Cb -0.01 0.02 0.17 0.00 0.26 0.00 0.00 34.13 34.57 2jy9 s GLU 116 CO -0.22 -0.12 0.48 -0.98 -0.54 0.00 0.00 175.26 173.88 2jy9 s ARG 117 N 0.98 0.46 -0.00 4.30 1.70 -1.26 -5.16 118.95 119.97 2jy9 s ARG 117 Ca -0.06 0.58 0.08 0.00 -0.47 0.00 0.00 55.73 55.86 2jy9 s ARG 117 Cb -0.07 -0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.26 2jy9 s ARG 117 CO -0.07 -0.79 -0.25 0.50 -1.08 0.00 0.00 175.30 173.60 2jy9 s ARG 118 N 2.68 1.97 0.05 3.89 6.06 -1.26 -5.11 118.95 127.22 2jy9 s ARG 118 Ca 0.14 -0.96 -0.25 0.00 -2.50 0.00 0.00 55.73 52.16 2jy9 s ARG 118 Cb -0.14 -1.97 0.08 0.00 0.06 0.00 0.00 34.95 32.99 2jy9 s ARG 118 CO -0.22 0.53 1.13 -0.11 -2.50 0.00 0.00 175.30 174.13 2jy9 n LEU 119 N 2.26 0.00 -0.69 -0.88 7.94 -1.26 -5.17 117.00 119.20 2jy9 n LEU 119 Ca -0.16 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 53.99 2jy9 n LEU 119 Cb 0.51 2.10 0.00 0.00 0.53 0.00 0.00 43.42 46.56 2jy9 n LEU 119 CO 0.23 -0.25 -0.17 -1.54 -1.11 0.00 0.00 177.39 174.55 2jy9 n SER 120 N -1.12 -4.67 0.00 1.96 3.41 -1.26 -5.12 113.62 106.82 2jy9 n SER 120 Ca 0.02 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2jy9 n SER 120 Cb 0.55 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2jy9 n SER 120 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jy9 n SER 121 N -0.08 0.00 -3.72 4.04 3.41 -1.26 -5.18 113.62 110.82 2jy9 n SER 121 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2jy9 n SER 121 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2jy9 n SER 121 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jy9 s LYS 122 N 0.00 0.26 -0.30 4.33 2.20 -1.26 -5.12 119.74 119.85 2jy9 s LYS 122 Ca 0.00 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.11 2jy9 s LYS 122 Cb 0.00 -0.07 0.18 0.00 -1.51 0.00 0.00 37.83 36.43 2jy9 s LYS 122 CO 0.00 -0.15 0.89 0.00 -0.36 0.00 0.00 175.35 175.73 2jy9 s ALA 123 N 1.19 -3.08 -0.06 3.13 0.00 -1.26 -5.16 121.76 116.52 2jy9 s ALA 123 Ca -0.08 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2jy9 s ALA 123 Cb -0.09 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.62 2jy9 s ALA 123 CO -0.09 -1.50 -0.02 -0.65 0.00 0.00 0.00 175.76 173.50 2jy9 s GLN 124 N 2.92 0.71 0.19 0.00 -1.52 -1.26 -5.13 119.66 115.56 2jy9 s GLN 124 Ca 0.09 -0.01 -0.23 0.00 -1.95 0.00 0.00 55.36 53.26 2jy9 s GLN 124 Cb -0.11 -0.88 0.05 0.00 -0.22 0.00 0.00 33.01 31.86 2jy9 s GLN 124 CO -0.16 -0.18 0.78 -1.59 -0.25 0.00 0.00 175.29 173.89 2jy9 s LYS 125 N 1.36 1.42 -0.29 2.91 -2.85 -1.26 -5.19 119.74 115.84 2jy9 s LYS 125 Ca -0.04 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 53.96 2jy9 s LYS 125 Cb -0.13 0.53 0.17 0.00 -2.06 0.00 0.00 37.83 36.33 2jy9 s LYS 125 CO -0.02 -0.64 1.32 0.45 0.10 0.00 0.00 175.35 176.55 2jy9 s SER 126 N -2.84 -0.17 -0.15 0.03 0.15 -1.26 -5.18 113.70 104.28 2jy9 s SER 126 Ca 0.09 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.95 2jy9 s SER 126 Cb -0.03 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2jy9 s SER 126 CO -0.00 -0.06 0.38 -0.44 1.20 0.00 0.00 173.24 174.32 2jy9 s SER 127 N 0.13 -0.42 -0.24 5.45 0.01 -1.26 -5.17 113.70 112.21 2jy9 s SER 127 Ca 0.06 0.78 -0.22 0.00 1.31 0.00 0.00 55.95 57.87 2jy9 s SER 127 Cb -0.05 0.74 0.06 0.00 0.21 0.00 0.00 66.02 66.98 2jy9 s SER 127 CO -0.13 -0.15 0.64 0.54 0.41 0.00 0.00 173.24 174.55 2jy9 s VAL 128 N 0.65 0.00 0.03 3.43 0.11 -1.26 -5.17 120.40 118.18 2jy9 s VAL 128 Ca -0.04 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2jy9 s VAL 128 Cb -0.05 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2jy9 s VAL 128 CO -0.04 -0.00 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.14 2jy9 s LYS 129 N 0.31 0.41 -0.27 1.54 1.02 -1.26 -5.14 119.74 116.34 2jy9 s LYS 129 Ca -0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2jy9 s LYS 129 Cb -0.04 -0.04 0.16 0.00 -0.52 0.00 0.00 37.83 37.39 2jy9 s LYS 129 CO 0.01 -0.02 0.47 0.00 -0.92 0.00 0.00 175.35 174.90 2jy9 s ALA 130 N -1.55 -1.59 0.14 5.17 0.00 -1.26 -5.15 121.76 117.51 2jy9 s ALA 130 Ca -0.13 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 2jy9 s ALA 130 Cb -0.09 -1.95 0.06 0.00 0.00 0.00 0.00 23.12 21.14 2jy9 s ALA 130 CO -0.01 -1.39 0.86 1.47 0.00 0.00 0.00 175.76 176.69 2jy9 n LEU 131 N 5.39 0.00 -0.23 0.00 -0.00 -1.26 -5.17 117.00 115.73 2jy9 n LEU 131 Ca -0.02 -1.13 0.02 0.00 -0.00 0.00 0.00 56.01 54.88 2jy9 n LEU 131 Cb 0.51 2.23 -0.01 0.00 -0.00 0.00 0.00 43.42 46.15 2jy9 n LEU 131 CO 0.03 -0.38 -0.09 0.54 -0.00 0.00 0.00 177.39 177.50 2jy9 n ARG 132 N -0.60 -0.55 0.00 1.47 1.74 -1.26 -5.13 116.66 112.33 2jy9 n ARG 132 Ca -0.01 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2jy9 n ARG 132 Cb 0.47 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 2jy9 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jy9 n GLY 133 N -2.09 1.83 3.64 -0.13 0.00 -1.26 -5.17 105.19 102.00 2jy9 n GLY 133 Ca -0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2jy9 n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jy9 s LYS 134 N -2.00 0.64 -0.10 1.61 2.20 -1.26 -5.15 119.74 115.68 2jy9 s LYS 134 Ca 0.00 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2jy9 s LYS 134 Cb 0.00 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2jy9 s LYS 134 CO 0.00 -0.12 -0.14 0.08 -0.36 0.00 0.00 175.35 174.81 2jy9 s VAL 135 N 1.28 1.35 0.02 4.02 1.01 -1.26 -5.13 120.40 121.69 2jy9 s VAL 135 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2jy9 s VAL 135 Cb -0.05 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2jy9 s VAL 135 CO -0.15 0.41 -0.07 -0.60 0.00 0.00 0.00 175.10 174.69 2jy9 s ARG 136 N 0.97 0.51 -0.34 2.72 3.52 -1.26 -5.12 118.95 119.96 2jy9 s ARG 136 Ca -0.08 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2jy9 s ARG 136 Cb -0.15 -0.41 0.12 0.00 -1.56 0.00 0.00 34.95 32.95 2jy9 s ARG 136 CO -0.01 0.10 0.17 0.50 -0.81 0.00 0.00 175.30 175.25 2jy9 s ARG 137 N -0.82 0.66 -0.29 5.12 3.52 -1.26 -5.11 118.95 120.77 2jy9 s ARG 137 Ca -0.03 -1.22 -0.22 0.00 -0.13 0.00 0.00 55.73 54.13 2jy9 s ARG 137 Cb -0.06 -1.67 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2jy9 s ARG 137 CO 0.00 -1.10 0.69 -1.25 -0.81 0.00 0.00 175.30 172.84 2jy9 s PRO 138 N 1.30 3.97 -0.30 5.12 0.05 -1.26 -5.05 135.00 138.83 2jy9 s PRO 138 Ca 0.14 0.47 -0.11 0.00 0.05 0.00 0.00 61.00 61.54 2jy9 s PRO 138 Cb -0.20 -3.71 -0.04 0.00 0.05 0.00 0.00 34.50 30.60 2jy9 s PRO 138 CO -0.15 -0.58 0.19 -0.51 0.05 0.00 0.00 177.00 176.01 2jy9 s LEU 139 N 2.72 4.14 0.50 -3.56 1.43 -1.26 -5.08 118.68 117.57 2jy9 s LEU 139 Ca 0.28 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2jy9 s LEU 139 Cb -0.15 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2jy9 s LEU 139 CO 0.11 -0.12 0.01 1.51 0.23 0.00 0.00 176.35 178.10 2jy9 s ASP 140 N 1.73 4.01 0.20 2.29 -4.77 -1.26 -5.16 116.67 113.70 2jy9 s ASP 140 Ca 0.06 -1.65 0.09 0.00 -3.30 0.00 0.00 52.55 47.76 2jy9 s ASP 140 Cb -0.16 0.49 -0.04 0.00 -1.09 0.00 0.00 42.92 42.11 2jy9 s ASP 140 CO 0.10 -0.84 -0.18 -0.76 0.70 0.00 0.00 175.17 174.19 2jy9 s LEU 141 N -3.85 2.50 0.25 2.11 1.43 -1.26 -5.15 118.68 114.71 2jy9 s LEU 141 Ca 0.08 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.34 2jy9 s LEU 141 Cb 0.02 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2jy9 s LEU 141 CO 0.05 -0.05 -0.18 -1.83 0.23 0.00 0.00 176.35 174.57 2jy9 s GLU 142 N -3.18 1.53 -0.48 1.70 -1.05 -1.26 -5.11 118.70 110.85 2jy9 s GLU 142 Ca 0.21 -1.69 0.06 0.00 -0.15 0.00 0.00 54.97 53.40 2jy9 s GLU 142 Cb -0.04 -1.50 0.19 0.00 -0.44 0.00 0.00 34.13 32.33 2jy9 s GLU 142 CO 0.09 0.27 0.73 -1.58 0.95 0.00 0.00 175.26 175.72 2jy9 s HIS 143 N -2.68 -1.56 -0.35 4.83 2.46 -1.26 -5.12 115.29 111.62 2jy9 s HIS 143 Ca 0.27 -0.34 -0.26 0.00 0.47 0.00 0.00 55.06 55.19 2jy9 s HIS 143 Cb -0.03 0.30 0.01 0.00 -0.13 0.00 0.00 32.58 32.73 2jy9 s HIS 143 CO 0.12 -1.19 0.93 -1.58 -2.47 0.00 0.00 174.74 170.55 2jy9 s HIS 144 N 1.12 3.11 -0.26 3.88 5.04 -1.26 -5.02 115.29 121.90 2jy9 s HIS 144 Ca 0.26 0.85 -0.04 0.00 -1.54 0.00 0.00 55.06 54.60 2jy9 s HIS 144 Cb -0.00 -3.59 0.01 0.00 0.04 0.00 0.00 32.58 29.05 2jy9 s HIS 144 CO -0.06 -0.77 -0.01 -3.38 -2.34 0.00 0.00 174.74 168.17 2jy9 s HIS 145 N 3.42 3.07 -0.19 3.88 -3.43 -1.26 -5.09 115.29 115.69 2jy9 s HIS 145 Ca 0.38 -1.24 -0.08 0.00 -0.80 0.00 0.00 55.06 53.32 2jy9 s HIS 145 Cb -0.12 -2.13 -0.04 0.00 -1.43 0.00 0.00 32.58 28.86 2jy9 s HIS 145 CO 0.17 -0.64 0.07 -3.38 -2.00 0.00 0.00 174.74 168.96 2jy9 s HIS 146 N 1.41 3.27 0.14 0.38 -3.43 -1.26 -5.08 115.29 110.73 2jy9 s HIS 146 Ca 0.02 0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 54.09 2jy9 s HIS 146 Cb -0.16 -2.09 -0.07 0.00 -1.43 0.00 0.00 32.58 28.82 2jy9 s HIS 146 CO -0.02 0.17 1.10 -1.58 -2.00 0.00 0.00 174.74 172.41 2jy9 s HIS 147 N 0.39 3.58 -2.59 0.38 2.46 -1.26 -5.35 115.29 112.90 2jy9 s HIS 147 Ca 0.04 1.56 0.27 0.00 0.47 0.00 0.00 55.06 57.40 2jy9 s HIS 147 Cb -0.12 -3.28 0.90 0.00 -0.13 0.00 0.00 32.58 29.95 2jy9 s HIS 147 CO -0.00 -0.64 1.66 1.58 -2.47 0.00 0.00 174.74 174.87