#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye5 s LEU 3 N 0.00 4.32 0.75 1.53 1.43 -1.26 -5.09 118.68 120.35 1ye5 s LEU 3 Ca 0.00 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1ye5 s LEU 3 Cb 0.00 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.21 1ye5 s LEU 3 CO 0.00 0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.63 1ye5 s PRO 4 N -2.33 2.50 0.31 1.29 0.04 -1.26 -4.98 135.00 130.57 1ye5 s PRO 4 Ca 0.36 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.43 1ye5 s PRO 4 Cb -0.13 -1.94 0.50 0.00 0.04 0.00 0.00 34.50 32.97 1ye5 s PRO 4 CO 0.22 -1.41 1.71 -1.00 0.04 0.00 0.00 177.00 176.57 1ye5 h PRO 5 N -0.94 0.13 -5.10 0.56 0.13 -1.95 -3.43 132.00 121.39 1ye5 h PRO 5 Ca -0.45 -0.06 -0.62 0.00 -0.87 0.00 0.00 66.00 64.00 1ye5 h PRO 5 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1ye5 h PRO 5 CO 0.56 0.56 -0.52 -0.51 -0.23 0.00 0.00 178.00 177.86 1ye5 s ASP 6 N -6.89 6.03 0.18 1.44 1.01 -1.26 -1.01 116.67 116.17 1ye5 s ASP 6 Ca -0.03 0.10 -0.03 0.00 0.71 0.00 0.00 52.55 53.29 1ye5 s ASP 6 Cb 0.13 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 1ye5 s ASP 6 CO 0.76 0.07 0.17 0.27 0.21 0.00 0.00 175.17 176.65 1ye5 s ILE 7 N 1.01 0.04 0.21 0.77 -4.36 -0.53 -1.91 121.20 116.44 1ye5 s ILE 7 Ca 0.07 -1.82 -0.14 0.00 -0.26 0.00 0.00 60.65 58.51 1ye5 s ILE 7 Cb -0.13 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1ye5 s ILE 7 CO 0.04 -0.20 0.46 0.28 0.24 0.00 0.00 174.94 175.76 1ye5 s THR 8 N -4.08 0.02 0.10 8.37 -1.32 -0.18 -1.44 115.64 117.11 1ye5 s THR 8 Ca 0.29 -1.18 0.03 0.00 -1.21 0.00 0.00 61.69 59.62 1ye5 s THR 8 Cb 0.06 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 1ye5 s THR 8 CO 0.06 -0.11 -0.08 -0.36 -2.21 0.00 0.00 174.62 171.93 1ye5 s PHE 9 N -3.96 0.97 0.62 9.09 0.08 -1.26 -0.38 117.98 123.14 1ye5 s PHE 9 Ca 0.16 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 1ye5 s PHE 9 Cb -0.00 -0.54 0.06 0.00 -0.57 0.00 0.00 43.02 41.98 1ye5 s PHE 9 CO 0.03 -0.07 0.86 0.16 -0.10 0.00 0.00 175.22 176.10 1ye5 s ASP 10 N -2.75 4.95 0.22 1.36 1.47 -1.22 -4.82 116.67 115.88 1ye5 s ASP 10 Ca 0.09 -0.07 -0.08 0.00 1.18 0.00 0.00 52.55 53.66 1ye5 s ASP 10 Cb 0.01 -0.63 0.34 0.00 -0.34 0.00 0.00 42.92 42.29 1ye5 s ASP 10 CO -0.02 -1.41 1.74 0.77 0.68 0.00 0.00 175.17 176.94 1ye5 h SER 11 N -0.18 0.27 -0.58 2.11 4.64 -1.94 0.33 113.55 118.20 1ye5 h SER 11 Ca -0.41 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1ye5 h SER 11 Cb 1.29 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.40 1ye5 h SER 11 CO 0.49 0.14 0.35 0.25 -0.87 0.00 0.00 176.83 177.20 1ye5 h LEU 12 N 0.44 0.58 -0.55 5.97 5.85 -1.94 -0.13 115.31 125.54 1ye5 h LEU 12 Ca 0.34 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 1ye5 h LEU 12 Cb 0.45 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1ye5 h LEU 12 CO -0.33 0.41 -0.33 0.00 -0.34 0.00 0.00 178.44 177.85 1ye5 h ALA 13 N 1.25 0.73 -0.32 1.25 0.00 -1.73 -2.75 119.26 117.69 1ye5 h ALA 13 Ca 0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1ye5 h ALA 13 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ye5 h ALA 13 CO -0.09 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 180.93 1ye5 h LEU 14 N 0.68 0.54 -0.23 0.00 5.85 -0.45 -0.54 115.31 121.16 1ye5 h LEU 14 Ca 0.07 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ye5 h LEU 14 Cb 0.88 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1ye5 h LEU 14 CO 0.08 0.70 0.13 0.40 -0.34 0.00 0.00 178.44 179.41 1ye5 h ILE 15 N 0.50 1.09 -0.49 4.05 2.04 -0.83 -2.33 117.51 121.54 1ye5 h ILE 15 Ca 0.09 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1ye5 h ILE 15 Cb 0.53 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1ye5 h ILE 15 CO 0.03 0.09 0.14 0.11 0.00 0.00 0.00 178.15 178.52 1ye5 h LYS 16 N 0.27 0.78 -0.63 2.37 1.57 -1.19 -2.35 116.57 117.40 1ye5 h LYS 16 Ca 0.08 -0.18 0.17 0.00 -1.87 0.00 0.00 60.65 58.85 1ye5 h LYS 16 Cb 0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1ye5 h LYS 16 CO -0.01 0.74 0.44 0.52 -0.57 0.00 0.00 179.45 180.57 1ye5 h MET 17 N 0.67 0.09 -0.22 3.15 2.86 -0.89 0.47 114.93 121.05 1ye5 h MET 17 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1ye5 h MET 17 Cb 0.30 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1ye5 h MET 17 CO -0.00 0.06 0.00 0.72 1.06 0.00 0.00 176.91 178.75 1ye5 n HIS 18 N -4.39 0.28 -1.27 -0.22 8.25 -0.90 -4.56 115.22 112.41 1ye5 n HIS 18 Ca 0.12 -0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1ye5 n HIS 18 Cb 0.63 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.84 1ye5 n HIS 18 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ye5 s SER 19 N -1.63 4.35 0.52 0.41 1.04 0.15 -4.91 113.70 113.64 1ye5 s SER 19 Ca 0.35 1.73 0.28 0.00 0.48 0.00 0.00 55.95 58.79 1ye5 s SER 19 Cb 0.20 -2.44 1.44 0.00 0.10 0.00 0.00 66.02 65.32 1ye5 s SER 19 CO 0.29 -2.12 2.06 -0.61 0.98 0.00 0.00 173.24 173.85 1ye5 h GLN 20 N -1.19 0.00 0.00 4.02 4.15 -1.93 -2.12 115.11 118.04 1ye5 h GLN 20 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1ye5 h GLN 20 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1ye5 h GLN 20 CO 0.52 0.12 0.00 -0.91 -1.93 0.00 0.00 178.83 176.63 1ye5 h ASN 21 N 0.00 0.00 -0.57 -0.69 2.35 -1.91 -3.17 115.58 111.59 1ye5 h ASN 21 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ye5 h ASN 21 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ye5 h ASN 21 CO 0.02 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.03 1ye5 n MET 22 N -2.50 2.65 -0.25 0.81 2.81 -0.80 -4.69 117.12 115.14 1ye5 n MET 22 Ca 0.04 -2.44 -0.04 0.00 -1.81 0.00 0.00 57.70 53.45 1ye5 n MET 22 Cb 0.38 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1ye5 n MET 22 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1ye5 h LYS 23 N 3.90 -0.12 -0.23 0.03 1.57 -1.58 0.14 116.57 120.27 1ye5 h LYS 23 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ye5 h LYS 23 Cb 0.93 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ye5 h LYS 23 CO 0.00 -0.08 0.09 0.00 -0.57 0.00 0.00 179.45 178.89 1ye5 h ARG 24 N -0.13 0.35 -0.90 3.15 3.08 -1.88 -1.29 114.38 116.76 1ye5 h ARG 24 Ca 0.26 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ye5 h ARG 24 Cb 0.56 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1ye5 h ARG 24 CO -0.76 0.40 0.56 0.82 -1.07 0.00 0.00 179.97 179.93 1ye5 h ILE 25 N 0.22 1.24 -0.31 2.04 1.08 -1.71 -1.94 117.51 118.13 1ye5 h ILE 25 Ca 0.08 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1ye5 h ILE 25 Cb 0.19 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1ye5 h ILE 25 CO -0.01 0.25 0.11 0.25 -0.69 0.00 0.00 178.15 178.06 1ye5 h LEU 26 N 1.24 0.44 -0.65 1.44 5.85 -0.56 -0.63 115.31 122.44 1ye5 h LEU 26 Ca 0.33 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1ye5 h LEU 26 Cb -0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1ye5 h LEU 26 CO -0.06 0.52 0.39 -0.33 -0.34 0.00 0.00 178.44 178.61 1ye5 h GLU 27 N 0.35 0.73 -0.32 1.25 4.39 -0.76 -1.30 114.58 118.91 1ye5 h GLU 27 Ca 0.10 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1ye5 h GLU 27 Cb 0.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ye5 h GLU 27 CO -0.01 0.48 0.01 0.28 -1.16 0.00 0.00 179.01 178.61 1ye5 h VAL 28 N 0.75 1.26 -0.35 3.13 2.07 -1.18 -2.32 116.25 119.61 1ye5 h VAL 28 Ca 0.27 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1ye5 h VAL 28 Cb 0.07 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1ye5 h VAL 28 CO -0.13 0.31 0.17 0.74 0.02 0.00 0.00 177.57 178.68 1ye5 h THR 29 N 0.37 0.97 0.00 2.57 2.02 -0.81 0.08 112.91 118.10 1ye5 h THR 29 Ca 0.09 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1ye5 h THR 29 Cb 0.43 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1ye5 h THR 29 CO 0.02 0.06 -0.28 -0.07 0.37 0.00 0.00 175.52 175.62 1ye5 h LEU 30 N 0.34 0.00 0.01 2.58 3.38 -1.20 0.79 115.31 121.22 1ye5 h LEU 30 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1ye5 h LEU 30 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ye5 h LEU 30 CO -0.11 0.28 -1.22 0.00 0.09 0.00 0.00 178.44 177.47 1ye5 h ALA 31 N 1.72 0.45 0.00 1.53 0.00 -0.83 -3.38 119.26 118.75 1ye5 h ALA 31 Ca -0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 53.66 1ye5 h ALA 31 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ye5 h ALA 31 CO 0.04 1.32 -2.15 1.63 0.00 0.00 0.00 179.25 180.09 1ye5 n LYS 32 N -3.28 0.73 -4.46 0.00 4.76 -0.04 -5.03 118.16 110.84 1ye5 n LYS 32 Ca -0.06 -0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.03 1ye5 n LYS 32 Cb 0.98 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.57 1ye5 n LYS 32 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ye5 s PHE 33 N -2.95 2.46 -0.37 2.13 0.08 0.26 -4.98 117.98 114.60 1ye5 s PHE 33 Ca -0.09 -0.46 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 1ye5 s PHE 33 Cb 0.09 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1ye5 s PHE 33 CO 0.83 0.55 0.20 0.99 -0.10 0.00 0.00 175.22 177.69 1ye5 s THR 34 N -2.56 4.49 -0.31 0.64 2.01 -0.18 -4.71 115.64 115.01 1ye5 s THR 34 Ca 0.33 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1ye5 s THR 34 Cb 0.01 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1ye5 s THR 34 CO 0.18 -0.23 0.22 -0.69 -0.69 0.00 0.00 174.62 173.40 1ye5 s VAL 35 N 1.54 5.27 -0.40 3.82 1.01 -1.26 -1.45 120.40 128.92 1ye5 s VAL 35 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1ye5 s VAL 35 Cb -0.19 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1ye5 s VAL 35 CO 0.06 0.10 0.22 0.20 0.00 0.00 0.00 175.10 175.69 1ye5 s ASN 36 N 1.73 5.49 -0.17 3.32 -0.87 -0.52 -2.47 114.94 121.46 1ye5 s ASN 36 Ca 0.06 -1.56 -0.09 0.00 -1.57 0.00 0.00 52.86 49.70 1ye5 s ASN 36 Cb -0.17 -1.93 -0.05 0.00 -0.02 0.00 0.00 41.25 39.09 1ye5 s ASN 36 CO 0.11 -0.51 0.13 -0.76 -2.57 0.00 0.00 177.10 173.50 1ye5 s LEU 37 N 1.36 4.24 0.35 0.60 1.43 -0.37 -4.60 118.68 121.70 1ye5 s LEU 37 Ca 0.03 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.16 1ye5 s LEU 37 Cb -0.23 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 1ye5 s LEU 37 CO 0.01 0.26 1.20 -0.55 0.23 0.00 0.00 176.35 177.50 1ye5 s SER 38 N -0.13 6.78 0.52 2.29 0.15 -1.26 0.11 113.70 122.16 1ye5 s SER 38 Ca 0.10 2.44 0.22 0.00 0.70 0.00 0.00 55.95 59.41 1ye5 s SER 38 Cb -0.11 -2.63 1.34 0.00 -1.71 0.00 0.00 66.02 62.90 1ye5 s SER 38 CO 0.00 -0.50 2.05 -0.29 1.20 0.00 0.00 173.24 175.70 1ye5 h ILE 39 N 2.75 0.84 -0.74 6.45 6.09 -1.49 0.10 117.51 131.51 1ye5 h ILE 39 Ca -0.48 -0.01 -0.06 0.00 -1.37 0.00 0.00 64.86 62.94 1ye5 h ILE 39 Cb 1.23 0.82 -0.03 0.00 0.47 0.00 0.00 36.82 39.30 1ye5 h ILE 39 CO 0.64 0.00 0.23 0.58 -3.07 0.00 0.00 178.15 176.54 1ye5 h VAL 40 N 0.02 1.26 -0.50 2.19 2.07 -1.90 0.11 116.25 119.50 1ye5 h VAL 40 Ca 0.16 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1ye5 h VAL 40 Cb 0.64 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ye5 h VAL 40 CO -0.00 0.36 -0.05 0.74 0.02 0.00 0.00 177.57 178.64 1ye5 h THR 41 N 1.10 1.26 -0.49 2.57 2.02 -1.19 -1.86 112.91 116.31 1ye5 h THR 41 Ca 0.24 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 1ye5 h THR 41 Cb 0.31 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1ye5 h THR 41 CO -0.01 0.39 0.00 0.58 0.37 0.00 0.00 175.52 176.86 1ye5 h VAL 42 N 0.80 1.26 -0.51 3.16 2.07 -0.69 -1.47 116.25 120.87 1ye5 h VAL 42 Ca 0.14 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1ye5 h VAL 42 Cb 0.54 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ye5 h VAL 42 CO 0.03 0.38 0.13 0.22 0.02 0.00 0.00 177.57 178.34 1ye5 h TYR 43 N 0.73 0.86 -0.24 1.57 3.20 -0.56 -0.81 116.97 121.72 1ye5 h TYR 43 Ca 0.14 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1ye5 h TYR 43 Cb 0.51 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ye5 h TYR 43 CO 0.04 0.76 -0.32 0.00 -1.64 0.00 0.00 178.16 177.00 1ye5 h ARG 44 N 0.71 0.50 -0.31 1.82 2.47 -1.27 -0.91 114.38 117.40 1ye5 h ARG 44 Ca 0.16 -0.22 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1ye5 h ARG 44 Cb 0.33 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1ye5 h ARG 44 CO 0.00 0.76 0.13 -0.92 0.56 0.00 0.00 179.97 180.50 1ye5 h TYR 45 N 0.43 0.48 0.00 3.04 3.20 -1.06 -2.59 116.97 120.47 1ye5 h TYR 45 Ca 0.05 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1ye5 h TYR 45 Cb 0.78 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1ye5 h TYR 45 CO 0.03 0.46 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.77 1ye5 h LEU 46 N 0.36 0.00 -0.52 2.82 3.38 -0.75 -1.75 115.31 118.85 1ye5 h LEU 46 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ye5 h LEU 46 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ye5 h LEU 46 CO -0.01 0.17 0.26 0.74 0.09 0.00 0.00 178.44 179.69 1ye5 h THR 47 N 0.00 1.19 -0.78 0.22 2.02 -0.79 0.61 112.91 115.37 1ye5 h THR 47 Ca -0.00 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1ye5 h THR 47 Cb 0.31 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1ye5 h THR 47 CO 0.02 0.21 0.35 0.00 0.37 0.00 0.00 175.52 176.47 1ye5 h ALA 48 N 1.10 1.01 -0.17 6.16 0.00 -1.11 -1.13 119.26 125.12 1ye5 h ALA 48 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1ye5 h ALA 48 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ye5 h ALA 48 CO -0.02 0.61 -0.51 0.00 0.00 0.00 0.00 179.25 179.33 1ye5 h ARG 49 N 1.12 0.45 0.00 0.00 2.47 -0.75 -2.82 114.38 114.86 1ye5 h ARG 49 Ca 0.27 -0.27 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 1ye5 h ARG 49 Cb 0.17 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1ye5 h ARG 49 CO -0.03 0.86 -0.39 0.00 0.56 0.00 0.00 179.97 180.97 1ye5 h ALA 50 N 1.10 1.17 -0.62 0.04 0.00 0.54 -1.49 119.26 119.99 1ye5 h ALA 50 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ye5 h ALA 50 Cb 1.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1ye5 h ALA 50 CO 0.09 0.49 0.41 -0.92 0.00 0.00 0.00 179.25 179.31 1ye5 h TYR 51 N 0.00 0.79 -0.69 0.00 3.20 -0.95 -1.81 116.97 117.51 1ye5 h TYR 51 Ca -0.00 0.01 -0.41 0.00 3.14 0.00 0.00 58.73 61.47 1ye5 h TYR 51 Cb 0.78 -0.27 -0.21 0.00 1.54 0.00 0.00 36.73 38.58 1ye5 h TYR 51 CO 0.00 0.51 0.53 1.47 -1.64 0.00 0.00 178.16 179.02 1ye5 n LEU 52 N -4.64 6.25 -4.12 2.82 -0.00 -1.07 -4.91 117.00 111.32 1ye5 n LEU 52 Ca 0.05 -3.31 -0.33 0.00 -0.00 0.00 0.00 56.01 52.41 1ye5 n LEU 52 Cb 0.03 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 42.55 1ye5 n LEU 52 CO 0.36 1.09 -0.06 0.29 -0.00 0.00 0.00 177.39 179.07 1ye5 n LYS 53 N -0.42 -3.51 -2.28 1.47 5.02 -0.68 -4.98 118.16 112.77 1ye5 n LYS 53 Ca 0.43 0.41 -0.29 0.00 -2.02 0.00 0.00 58.31 56.84 1ye5 n LYS 53 Cb 0.99 -5.02 0.01 0.00 -0.02 0.00 0.00 35.03 30.99 1ye5 n LYS 53 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ye5 s LYS 54 N -6.81 3.36 -1.08 1.97 -0.14 -0.58 -4.96 119.74 111.49 1ye5 s LYS 54 Ca 0.57 0.35 -0.22 0.00 -1.36 0.00 0.00 55.97 55.31 1ye5 s LYS 54 Cb -0.31 -2.23 0.06 0.00 -1.68 0.00 0.00 37.83 33.67 1ye5 s LYS 54 CO 0.91 -0.50 1.51 1.21 -0.76 0.00 0.00 175.35 177.71 1ye5 s ASN 55 N -4.20 6.58 0.17 2.83 3.04 -1.26 -4.69 114.94 117.42 1ye5 s ASN 55 Ca 0.52 -1.70 -0.22 0.00 0.04 0.00 0.00 52.86 51.50 1ye5 s ASN 55 Cb -0.11 -2.57 0.07 0.00 -1.54 0.00 0.00 41.25 37.11 1ye5 s ASN 55 CO 0.48 -1.42 1.60 0.40 -3.04 0.00 0.00 177.10 175.13 1ye5 h ILE 56 N 6.48 0.23 -0.51 -5.21 2.04 -1.93 -0.72 117.51 117.90 1ye5 h ILE 56 Ca 0.26 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.22 1ye5 h ILE 56 Cb 0.98 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 1ye5 h ILE 56 CO 1.43 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 179.10 1ye5 h GLU 57 N -0.23 -0.02 -0.36 2.37 5.08 -2.00 0.16 114.58 119.59 1ye5 h GLU 57 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ye5 h GLU 57 Cb 0.53 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1ye5 h GLU 57 CO -0.56 -0.02 0.13 0.00 -1.00 0.00 0.00 179.01 177.56 1ye5 h ALA 58 N 1.46 0.47 0.00 3.43 0.00 -1.80 -2.66 119.26 120.15 1ye5 h ALA 58 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ye5 h ALA 58 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ye5 h ALA 58 CO -0.54 0.09 -0.20 0.93 0.00 0.00 0.00 179.25 179.53 1ye5 h GLU 59 N 0.44 0.00 -0.30 0.00 5.08 -0.37 -2.50 114.58 116.92 1ye5 h GLU 59 Ca 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1ye5 h GLU 59 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ye5 h GLU 59 CO -0.01 0.20 -0.13 0.35 -1.00 0.00 0.00 179.01 178.42 1ye5 h PHE 60 N 0.00 0.71 -0.58 4.33 3.57 -0.37 -2.27 116.94 122.33 1ye5 h PHE 60 Ca -0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1ye5 h PHE 60 Cb 0.47 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1ye5 h PHE 60 CO 0.00 0.84 0.34 0.93 -2.23 0.00 0.00 178.31 178.19 1ye5 h GLU 61 N 0.37 0.79 -0.23 1.11 4.39 -1.16 0.03 114.58 119.88 1ye5 h GLU 61 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ye5 h GLU 61 Cb 0.65 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1ye5 h GLU 61 CO 0.04 0.56 0.06 0.82 -1.16 0.00 0.00 179.01 179.33 1ye5 h ILE 62 N 0.80 1.21 -0.66 3.13 2.04 -1.32 0.34 117.51 123.05 1ye5 h ILE 62 Ca 0.21 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1ye5 h ILE 62 Cb -0.01 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1ye5 h ILE 62 CO -0.04 0.22 0.37 -0.07 0.00 0.00 0.00 178.15 178.63 1ye5 h LEU 63 N 0.20 0.82 -1.36 1.44 4.07 -0.86 -1.71 115.31 117.91 1ye5 h LEU 63 Ca 0.07 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 1ye5 h LEU 63 Cb 0.27 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1ye5 h LEU 63 CO 0.00 0.67 -0.25 0.50 -1.08 0.00 0.00 178.44 178.29 1ye5 h LYS 64 N 0.90 0.11 -0.00 1.13 3.64 -0.82 0.28 116.57 121.81 1ye5 h LYS 64 Ca 0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ye5 h LYS 64 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ye5 h LYS 64 CO -0.04 0.35 -0.06 -3.47 -2.27 0.00 0.00 179.45 173.97 1ye5 n ASP 65 N -4.20 0.25 -0.04 4.20 2.03 0.09 -4.13 116.55 114.76 1ye5 n ASP 65 Ca -0.02 -0.46 -0.08 0.00 0.52 0.00 0.00 54.79 54.76 1ye5 n ASP 65 Cb 0.33 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 1ye5 n ASP 65 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ye5 n ILE 66 N -1.08 0.41 -3.74 5.18 5.41 -0.70 -5.06 119.36 119.79 1ye5 n ILE 66 Ca 0.15 -0.11 -0.20 0.00 1.00 0.00 0.00 62.75 63.59 1ye5 n ILE 66 Cb 0.25 -1.45 -0.02 0.00 -0.71 0.00 0.00 39.64 37.71 1ye5 n ILE 66 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ye5 s TYR 67 N -2.14 3.22 -0.59 1.39 2.02 0.92 -4.97 117.35 117.20 1ye5 s TYR 67 Ca -0.10 -0.14 -0.20 0.00 -0.37 0.00 0.00 57.07 56.25 1ye5 s TYR 67 Cb 0.04 -1.77 0.08 0.00 -0.40 0.00 0.00 41.96 39.91 1ye5 s TYR 67 CO 0.14 0.22 0.76 1.21 -1.57 0.00 0.00 175.55 176.30 1ye5 s ASN 68 N -4.06 6.20 -0.25 2.29 2.47 -1.03 -4.69 114.94 115.87 1ye5 s ASN 68 Ca 0.40 -1.16 -0.23 0.00 0.42 0.00 0.00 52.86 52.29 1ye5 s ASN 68 Cb -0.09 -2.33 -0.01 0.00 -1.45 0.00 0.00 41.25 37.37 1ye5 s ASN 68 CO 0.29 -1.15 0.73 -0.63 -3.72 0.00 0.00 177.10 172.63 1ye5 s ILE 69 N 3.05 4.90 -0.29 -5.21 1.01 -1.26 -1.23 121.20 122.17 1ye5 s ILE 69 Ca 0.16 1.34 -0.14 0.00 0.00 0.00 0.00 60.65 62.01 1ye5 s ILE 69 Cb -0.21 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1ye5 s ILE 69 CO 0.09 -0.04 0.35 -0.69 0.00 0.00 0.00 174.94 174.65 1ye5 s VAL 70 N 2.69 5.19 1.20 2.92 1.01 0.12 -4.90 120.40 128.62 1ye5 s VAL 70 Ca 0.31 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 1ye5 s VAL 70 Cb -0.15 -3.71 0.28 0.00 0.00 0.00 0.00 36.38 32.80 1ye5 s VAL 70 CO 0.08 0.10 1.04 -2.84 0.00 0.00 0.00 175.10 173.48 1ye5 s PRO 71 N 2.02 -1.18 -1.22 2.72 0.02 -1.26 -1.27 135.00 134.82 1ye5 s PRO 71 Ca 0.13 0.37 -0.13 0.00 0.02 0.00 0.00 61.00 61.39 1ye5 s PRO 71 Cb -0.16 -1.56 0.17 0.00 0.02 0.00 0.00 34.50 32.97 1ye5 s PRO 71 CO 0.11 -3.78 1.51 -0.11 -0.33 0.00 0.00 177.00 174.39 1ye5 n LEU 72 N -4.89 5.44 -4.71 -5.54 0.00 -1.26 -4.77 117.00 101.27 1ye5 n LEU 72 Ca 0.08 -4.49 -0.34 0.00 0.00 0.00 0.00 56.01 51.26 1ye5 n LEU 72 Cb 0.58 -1.60 0.11 0.00 0.00 0.00 0.00 43.42 42.51 1ye5 n LEU 72 CO 0.52 0.83 0.78 -0.76 0.00 0.00 0.00 177.39 178.75 1ye5 s LEU 73 N 1.30 3.22 0.23 -1.96 1.43 -1.26 -4.72 118.68 116.93 1ye5 s LEU 73 Ca 0.42 2.35 -0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1ye5 s LEU 73 Cb -0.01 -4.59 0.36 0.00 0.03 0.00 0.00 46.19 41.98 1ye5 s LEU 73 CO 0.00 -2.46 1.79 0.44 0.23 0.00 0.00 176.35 176.35 1ye5 h ASP 74 N -0.62 0.54 0.12 2.29 3.32 -1.99 0.22 116.42 120.30 1ye5 h ASP 74 Ca -0.47 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1ye5 h ASP 74 Cb 1.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1ye5 h ASP 74 CO 0.48 0.31 -0.14 0.44 -1.72 0.00 0.00 179.24 178.61 1ye5 h ASP 75 N 0.67 0.03 0.06 6.45 3.32 -1.99 0.12 116.42 125.09 1ye5 h ASP 75 Ca 0.37 -0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.14 1ye5 h ASP 75 Cb 0.37 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.94 1ye5 h ASP 75 CO -0.26 0.17 -1.11 0.40 -1.72 0.00 0.00 179.24 176.72 1ye5 h ILE 76 N 0.03 1.29 -0.50 0.35 2.04 -1.28 -1.07 117.51 118.38 1ye5 h ILE 76 Ca 0.01 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 1ye5 h ILE 76 Cb 0.26 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1ye5 h ILE 76 CO 0.02 0.72 0.27 0.00 0.00 0.00 0.00 178.15 179.16 1ye5 h ALA 77 N 0.33 0.64 -0.02 1.87 0.00 -0.02 0.13 119.26 122.18 1ye5 h ALA 77 Ca -0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ye5 h ALA 77 Cb 1.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ye5 h ALA 77 CO 0.22 0.16 -0.00 0.82 0.00 0.00 0.00 179.25 180.44 1ye5 h ILE 78 N 0.66 1.28 -0.68 0.00 2.04 -0.81 -2.20 117.51 117.79 1ye5 h ILE 78 Ca 0.17 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1ye5 h ILE 78 Cb 0.05 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1ye5 h ILE 78 CO -0.03 0.22 0.44 0.50 0.00 0.00 0.00 178.15 179.28 1ye5 h LYS 79 N -0.29 0.84 -0.91 2.37 3.64 -1.06 -1.99 116.57 119.17 1ye5 h LYS 79 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ye5 h LYS 79 Cb 0.36 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1ye5 h LYS 79 CO 0.00 0.56 0.53 0.00 -2.27 0.00 0.00 179.45 178.27 1ye5 h ALA 80 N 1.27 1.21 -0.19 5.00 0.00 -0.71 -1.14 119.26 124.71 1ye5 h ALA 80 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1ye5 h ALA 80 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1ye5 h ALA 80 CO -0.08 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 1ye5 h ALA 81 N 1.31 1.27 -0.18 0.00 0.00 -0.93 -0.59 119.26 120.15 1ye5 h ALA 81 Ca 0.33 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1ye5 h ALA 81 Cb -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ye5 h ALA 81 CO -0.06 0.48 -0.58 1.96 0.00 0.00 0.00 179.25 181.06 1ye5 h GLN 82 N 0.30 0.70 -0.09 0.00 4.20 -0.65 -1.97 115.11 117.60 1ye5 h GLN 82 Ca 0.05 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1ye5 h GLN 82 Cb 0.57 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1ye5 h GLN 82 CO 0.04 1.14 -0.04 0.82 -0.67 0.00 0.00 178.83 180.12 1ye5 h ILE 83 N 0.40 1.31 -0.58 2.54 2.04 -1.06 -2.74 117.51 119.41 1ye5 h ILE 83 Ca -0.02 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1ye5 h ILE 83 Cb 1.20 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 1ye5 h ILE 83 CO 0.12 0.29 0.24 -0.08 0.00 0.00 0.00 178.15 178.73 1ye5 h GLU 84 N -0.16 0.86 -0.19 2.37 4.81 -1.18 -1.49 114.58 119.60 1ye5 h GLU 84 Ca 0.02 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ye5 h GLU 84 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ye5 h GLU 84 CO 0.01 0.73 0.12 0.00 -0.73 0.00 0.00 179.01 179.14 1ye5 h ALA 85 N 1.09 0.25 -0.08 2.92 0.00 -1.38 0.25 119.26 122.31 1ye5 h ALA 85 Ca 0.20 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ye5 h ALA 85 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ye5 h ALA 85 CO -0.02 -0.25 -0.50 -2.95 0.00 0.00 0.00 179.25 175.54 1ye5 h ASN 86 N 0.23 0.22 -0.37 0.00 7.08 -1.42 -1.32 115.58 120.01 1ye5 h ASN 86 Ca 0.07 -0.11 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 1ye5 h ASN 86 Cb 0.02 -0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.19 1ye5 h ASN 86 CO -0.01 0.68 -0.01 -0.07 -2.08 0.00 0.00 177.43 175.94 1ye5 h LEU 87 N 0.16 0.64 -1.42 6.14 3.38 -0.97 -2.67 115.31 120.58 1ye5 h LEU 87 Ca 0.01 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1ye5 h LEU 87 Cb 0.94 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ye5 h LEU 87 CO 0.07 0.80 -0.04 0.40 0.09 0.00 0.00 178.44 179.77 1ye5 h ILE 88 N 0.47 1.16 0.00 1.22 1.08 -0.33 -0.03 117.51 121.08 1ye5 h ILE 88 Ca 0.10 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1ye5 h ILE 88 Cb 0.48 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1ye5 h ILE 88 CO 0.02 0.22 0.00 1.17 -0.69 0.00 0.00 178.15 178.87 1ye5 n LYS 89 N -4.32 0.16 -0.55 2.37 4.81 -0.51 -1.69 118.16 118.42 1ye5 n LYS 89 Ca 0.00 0.48 0.03 0.00 -0.87 0.00 0.00 58.31 57.96 1ye5 n LYS 89 Cb 0.22 -1.86 0.22 0.00 0.02 0.00 0.00 35.03 33.63 1ye5 n LYS 89 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ye5 n LYS 90 N -2.17 2.22 -0.98 1.64 5.02 -0.14 -4.95 118.16 118.81 1ye5 n LYS 90 Ca 0.01 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 1ye5 n LYS 90 Cb 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 1ye5 n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ye5 n GLU 91 N -0.91 -1.60 -3.22 1.97 1.02 -0.68 -4.95 120.64 112.27 1ye5 n GLU 91 Ca 0.26 0.40 -0.40 0.00 -0.02 0.00 0.00 57.16 57.40 1ye5 n GLU 91 Cb 0.92 -4.65 -0.07 0.00 -0.02 0.00 0.00 31.44 27.61 1ye5 n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ye5 s ILE 92 N -1.18 5.07 -0.15 -3.67 1.01 -0.54 -4.99 121.20 116.75 1ye5 s ILE 92 Ca 0.00 0.95 -0.00 0.00 0.00 0.00 0.00 60.65 61.60 1ye5 s ILE 92 Cb 0.00 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1ye5 s ILE 92 CO 0.00 0.11 -0.09 0.42 0.00 0.00 0.00 174.94 175.39 1ye5 s THR 93 N 2.06 1.27 0.21 2.92 -4.23 -1.26 -3.07 115.64 113.54 1ye5 s THR 93 Ca 0.23 -0.59 0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1ye5 s THR 93 Cb -0.16 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1ye5 s THR 93 CO 0.09 0.27 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.50 1ye5 s LEU 94 N 1.59 2.62 0.71 4.79 1.43 -1.26 -5.12 118.68 123.44 1ye5 s LEU 94 Ca 0.03 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1ye5 s LEU 94 Cb -0.14 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1ye5 s LEU 94 CO -0.09 0.09 1.07 1.51 0.23 0.00 0.00 176.35 179.17 1ye5 s ASP 95 N -2.94 5.07 0.26 2.29 1.47 -1.26 -4.85 116.67 116.72 1ye5 s ASP 95 Ca 0.24 1.73 -0.01 0.00 1.18 0.00 0.00 52.55 55.68 1ye5 s ASP 95 Cb -0.07 -2.51 0.51 0.00 -0.34 0.00 0.00 42.92 40.51 1ye5 s ASP 95 CO 0.13 -1.65 1.77 -0.03 0.68 0.00 0.00 175.17 176.06 1ye5 h MET 96 N -0.75 0.63 -0.59 2.11 1.85 -2.00 -1.93 114.93 114.26 1ye5 h MET 96 Ca -0.44 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 58.66 1ye5 h MET 96 Cb 1.22 -0.14 -0.05 0.00 0.43 0.00 0.00 31.60 33.06 1ye5 h MET 96 CO 0.55 0.42 0.33 1.49 -0.40 0.00 0.00 176.91 179.29 1ye5 h GLU 97 N 0.65 0.61 -0.56 0.39 4.81 -1.99 -1.00 114.58 117.49 1ye5 h GLU 97 Ca 0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.60 1ye5 h GLU 97 Cb 0.61 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1ye5 h GLU 97 CO -0.34 0.40 0.15 -0.44 -0.73 0.00 0.00 179.01 178.05 1ye5 h ASP 98 N 0.63 0.83 0.12 1.04 3.32 -1.74 -0.98 116.42 119.64 1ye5 h ASP 98 Ca 0.25 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ye5 h ASP 98 Cb 0.12 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1ye5 h ASP 98 CO -0.15 0.83 -0.06 0.40 -1.72 0.00 0.00 179.24 178.55 1ye5 h ILE 99 N 0.78 0.94 -0.55 0.35 1.08 -0.96 -0.96 117.51 118.19 1ye5 h ILE 99 Ca 0.18 -0.20 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1ye5 h ILE 99 Cb 0.32 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1ye5 h ILE 99 CO -0.00 0.05 -0.06 0.40 -0.69 0.00 0.00 178.15 177.85 1ye5 h ILE 100 N -0.25 1.26 -0.34 -0.67 1.08 -1.17 0.22 117.51 117.65 1ye5 h ILE 100 Ca -0.02 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.24 1ye5 h ILE 100 Cb 0.20 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1ye5 h ILE 100 CO 0.03 0.42 0.14 0.74 -0.69 0.00 0.00 178.15 178.79 1ye5 h THR 101 N 0.89 1.18 -0.30 -0.27 2.02 -1.11 -0.25 112.91 115.08 1ye5 h THR 101 Ca 0.15 -0.56 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 1ye5 h THR 101 Cb 0.60 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ye5 h THR 101 CO 0.04 0.20 -0.38 0.00 0.37 0.00 0.00 175.52 175.74 1ye5 h ALA 102 N 0.98 0.45 -0.91 6.16 0.00 -1.10 -1.62 119.26 123.22 1ye5 h ALA 102 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ye5 h ALA 102 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ye5 h ALA 102 CO -0.01 0.55 0.51 1.15 0.00 0.00 0.00 179.25 181.45 1ye5 h THR 103 N 0.56 1.26 -0.31 0.00 2.02 -0.84 -0.48 112.91 115.12 1ye5 h THR 103 Ca 0.04 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1ye5 h THR 103 Cb 0.98 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ye5 h THR 103 CO 0.09 0.29 -0.31 0.74 0.37 0.00 0.00 175.52 176.70 1ye5 h THR 104 N 1.27 1.28 -0.57 3.16 2.02 -0.96 -0.47 112.91 118.63 1ye5 h THR 104 Ca 0.32 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 1ye5 h THR 104 Cb 0.01 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1ye5 h THR 104 CO -0.05 0.46 0.14 0.00 0.37 0.00 0.00 175.52 176.44 1ye5 h ALA 105 N 1.10 0.76 -0.33 6.16 0.00 -0.56 0.12 119.26 126.50 1ye5 h ALA 105 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ye5 h ALA 105 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ye5 h ALA 105 CO 0.07 0.46 0.11 0.82 0.00 0.00 0.00 179.25 180.71 1ye5 h ILE 106 N 0.82 1.20 -0.82 0.00 2.04 -0.86 0.74 117.51 120.63 1ye5 h ILE 106 Ca 0.18 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1ye5 h ILE 106 Cb 0.34 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1ye5 h ILE 106 CO 0.00 0.22 0.48 0.22 0.00 0.00 0.00 178.15 179.08 1ye5 h TYR 107 N 0.39 1.10 -0.04 1.37 3.20 -0.77 -2.43 116.97 119.78 1ye5 h TYR 107 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1ye5 h TYR 107 Cb 0.24 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1ye5 h TYR 107 CO 0.01 0.74 0.00 0.25 -1.64 0.00 0.00 178.16 177.52 1ye5 n THR 108 N -4.44 0.03 -3.67 1.81 -2.24 0.00 -4.94 114.28 100.84 1ye5 n THR 108 Ca 0.08 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1ye5 n THR 108 Cb 0.07 0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1ye5 n THR 108 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ye5 n ASN 109 N 0.26 -2.03 -4.58 3.42 5.15 0.04 -4.98 115.26 112.54 1ye5 n ASN 109 Ca 0.18 -0.76 -0.33 0.00 -0.60 0.00 0.00 54.58 53.07 1ye5 n ASN 109 Cb 0.37 -4.28 -0.11 0.00 -0.53 0.00 0.00 39.78 35.23 1ye5 n ASN 109 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1ye5 s SER 110 N -4.18 4.59 -0.11 1.20 0.01 -0.02 -4.74 113.70 110.44 1ye5 s SER 110 Ca 0.11 -0.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1ye5 s SER 110 Cb -0.06 -1.09 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 1ye5 s SER 110 CO 0.80 0.31 1.17 -0.22 0.41 0.00 0.00 173.24 175.70 1ye5 s LEU 111 N -1.21 4.22 -0.54 2.44 2.96 -0.80 -4.64 118.68 121.12 1ye5 s LEU 111 Ca 0.15 1.69 -0.25 0.00 -0.22 0.00 0.00 54.13 55.50 1ye5 s LEU 111 Cb -0.11 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1ye5 s LEU 111 CO 0.05 -0.62 0.96 -0.22 -1.32 0.00 0.00 176.35 175.20 1ye5 s LEU 112 N 2.67 4.04 -0.13 -0.68 2.96 -0.08 -1.01 118.68 126.45 1ye5 s LEU 112 Ca 0.53 -0.24 -0.23 0.00 -0.22 0.00 0.00 54.13 53.96 1ye5 s LEU 112 Cb -0.22 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 1ye5 s LEU 112 CO 0.17 -1.22 0.72 -0.69 -1.32 0.00 0.00 176.35 174.01 1ye5 s VAL 113 N 3.99 5.00 0.07 1.68 1.01 0.49 -1.54 120.40 131.10 1ye5 s VAL 113 Ca 0.32 1.42 -0.19 0.00 0.00 0.00 0.00 61.98 63.54 1ye5 s VAL 113 Cb -0.12 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1ye5 s VAL 113 CO 0.21 0.15 0.45 0.28 0.00 0.00 0.00 175.10 176.19 1ye5 s THR 114 N 1.46 0.05 -1.37 3.92 -1.32 -0.68 -3.44 115.64 114.26 1ye5 s THR 114 Ca 0.35 -0.40 0.28 0.00 -1.21 0.00 0.00 61.69 60.72 1ye5 s THR 114 Cb -0.17 -1.01 0.34 0.00 -1.51 0.00 0.00 72.50 70.15 1ye5 s THR 114 CO 0.14 -0.22 1.83 0.47 -2.21 0.00 0.00 174.62 174.63 1ye5 n ASP 115 N 0.26 0.32 -3.21 8.08 8.00 -1.26 -0.88 116.55 127.85 1ye5 n ASP 115 Ca -0.18 -0.23 -0.24 0.00 0.71 0.00 0.00 54.79 54.85 1ye5 n ASP 115 Cb 0.61 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1ye5 n ASP 115 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ye5 n ASP 116 N -1.20 0.71 0.10 -2.24 2.03 -1.26 -4.88 116.55 109.80 1ye5 n ASP 116 Ca 0.11 -2.82 0.02 0.00 0.52 0.00 0.00 54.79 52.63 1ye5 n ASP 116 Cb 0.30 -0.64 0.39 0.00 -0.72 0.00 0.00 41.12 40.45 1ye5 n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ye5 h PRO 117 N 3.91 0.30 0.00 -0.67 0.13 -1.91 -3.00 132.00 130.75 1ye5 h PRO 117 Ca 0.09 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 1ye5 h PRO 117 Cb 0.86 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1ye5 h PRO 117 CO 0.51 0.38 -0.21 0.87 -0.23 0.00 0.00 178.00 179.32 1ye5 h LYS 118 N 0.29 0.00 0.00 0.86 6.56 -1.97 -2.18 116.57 120.13 1ye5 h LYS 118 Ca 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1ye5 h LYS 118 Cb 0.31 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1ye5 h LYS 118 CO 0.01 0.21 -0.20 -0.09 -2.06 0.00 0.00 179.45 177.32 1ye5 h ARG 119 N 0.00 0.00 -0.00 3.15 2.43 -1.96 -2.37 114.38 115.63 1ye5 h ARG 119 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ye5 h ARG 119 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ye5 h ARG 119 CO 0.03 0.20 -0.65 0.66 -1.51 0.00 0.00 179.97 178.69 1ye5 n TYR 120 N -4.05 0.00 -0.42 2.20 4.01 -0.84 -4.54 117.16 113.53 1ye5 n TYR 120 Ca -0.02 0.00 0.34 0.00 -0.16 0.00 0.00 57.90 58.06 1ye5 n TYR 120 Cb 0.28 -0.14 0.63 0.00 -0.31 0.00 0.00 39.34 39.80 1ye5 n TYR 120 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1ye5 h GLU 121 N 0.24 0.15 0.00 -0.72 4.57 -1.13 0.17 114.58 117.86 1ye5 h GLU 121 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ye5 h GLU 121 Cb 0.51 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ye5 h GLU 121 CO 0.00 0.10 0.00 -2.30 -1.18 0.00 0.00 179.01 175.63 1ye5 n PRO 122 N -4.57 0.04 0.00 0.92 -0.02 -1.26 -2.17 135.00 127.93 1ye5 n PRO 122 Ca 0.33 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1ye5 n PRO 122 Cb 1.30 -1.58 0.14 0.00 -0.02 0.00 0.00 33.50 33.34 1ye5 n PRO 122 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1ye5 n ILE 123 N -1.65 0.00 -0.10 4.25 5.41 0.59 -4.34 119.36 123.52 1ye5 n ILE 123 Ca 0.03 -0.26 -0.07 0.00 1.00 0.00 0.00 62.75 63.44 1ye5 n ILE 123 Cb 0.17 1.04 0.00 0.00 -0.71 0.00 0.00 39.64 40.14 1ye5 n ILE 123 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1ye5 h ARG 124 N 2.49 0.36 0.00 0.38 2.47 -1.52 -1.93 114.38 116.62 1ye5 h ARG 124 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ye5 h ARG 124 Cb 0.72 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1ye5 h ARG 124 CO 0.00 0.24 0.27 0.07 0.56 0.00 0.00 179.97 181.11 1ye5 h ARG 125 N 0.37 0.00 -0.10 0.04 0.11 -1.78 0.73 114.38 113.75 1ye5 h ARG 125 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1ye5 h ARG 125 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1ye5 h ARG 125 CO -0.09 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.17 1ye5 n PHE 126 N -2.10 0.09 0.00 4.08 3.72 -0.73 -4.94 117.46 117.58 1ye5 n PHE 126 Ca -0.01 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1ye5 n PHE 126 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1ye5 n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ye5 n GLY 127 N 1.36 0.88 3.75 1.37 0.00 0.25 -5.06 105.19 107.74 1ye5 n GLY 127 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ye5 n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ye5 s LEU 128 N 0.00 4.52 -0.07 0.99 2.96 -1.14 -4.88 118.68 121.06 1ye5 s LEU 128 Ca 0.00 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 1ye5 s LEU 128 Cb 0.00 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1ye5 s LEU 128 CO 0.00 -0.19 -0.23 -1.81 -1.32 0.00 0.00 176.35 172.80 1ye5 s ASP 129 N -0.54 2.86 0.27 3.68 1.01 -1.26 -4.44 116.67 118.26 1ye5 s ASP 129 Ca 0.47 -0.49 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1ye5 s ASP 129 Cb -0.31 -0.99 -0.06 0.00 1.01 0.00 0.00 42.92 42.57 1ye5 s ASP 129 CO 0.39 0.19 -0.06 0.42 0.21 0.00 0.00 175.17 176.32 1ye5 s THR 130 N 0.08 1.62 -0.15 -1.27 -4.23 -1.26 -0.90 115.64 109.53 1ye5 s THR 130 Ca -0.09 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.17 1ye5 s THR 130 Cb -0.15 -2.42 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1ye5 s THR 130 CO 0.05 -0.32 0.39 -0.32 -0.54 0.00 0.00 174.62 173.89 1ye5 s MET 131 N -3.73 0.43 0.25 3.99 1.75 -0.59 -4.88 119.30 116.52 1ye5 s MET 131 Ca 0.29 0.63 -0.31 0.00 -1.25 0.00 0.00 55.69 55.05 1ye5 s MET 131 Cb 0.03 0.13 -0.11 0.00 2.84 0.00 0.00 34.83 37.72 1ye5 s MET 131 CO 0.11 -0.09 1.61 -2.14 -0.65 0.00 0.00 175.02 173.86 1ye5 s PRO 132 N 0.65 4.15 0.21 4.11 0.02 -1.26 -1.69 135.00 141.20 1ye5 s PRO 132 Ca -0.04 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 1ye5 s PRO 132 Cb -0.05 -3.07 0.25 0.00 0.02 0.00 0.00 34.50 31.65 1ye5 s PRO 132 CO -0.04 -0.63 1.78 1.25 -0.33 0.00 0.00 177.00 179.02 1ye5 h LEU 133 N 5.68 0.42 -1.41 -5.54 5.85 -1.35 -1.51 115.31 117.45 1ye5 h LEU 133 Ca -0.45 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1ye5 h LEU 133 Cb 1.21 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1ye5 h LEU 133 CO 0.85 0.26 0.42 -2.24 -0.34 0.00 0.00 178.44 177.39 1ye5 h ASP 134 N 0.56 0.67 0.13 1.25 2.03 -1.91 -0.13 116.42 119.03 1ye5 h ASP 134 Ca 0.30 -0.01 -0.17 0.00 -0.73 0.00 0.00 57.03 56.41 1ye5 h ASP 134 Cb 0.26 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1ye5 h ASP 134 CO -0.23 0.47 -0.63 0.11 -1.03 0.00 0.00 179.24 177.94 1ye5 h LYS 135 N 0.79 0.49 -0.43 4.15 1.57 -1.75 -2.54 116.57 118.84 1ye5 h LYS 135 Ca 0.24 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1ye5 h LYS 135 Cb 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ye5 h LYS 135 CO -0.06 0.96 0.18 0.35 -0.57 0.00 0.00 179.45 180.31 1ye5 h PHE 136 N 0.36 0.65 -0.62 -1.35 3.57 -0.28 -0.45 116.94 118.82 1ye5 h PHE 136 Ca -0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1ye5 h PHE 136 Cb 1.19 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1ye5 h PHE 136 CO 0.05 0.56 0.36 0.82 -2.23 0.00 0.00 178.31 177.86 1ye5 h ILE 137 N 0.55 1.19 -0.37 1.41 2.04 -1.01 -1.70 117.51 119.62 1ye5 h ILE 137 Ca 0.14 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1ye5 h ILE 137 Cb 0.18 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1ye5 h ILE 137 CO -0.01 0.20 -0.12 0.11 0.00 0.00 0.00 178.15 178.32 1ye5 h LYS 138 N 0.84 0.66 -0.48 2.37 1.57 -1.25 -1.71 116.57 118.57 1ye5 h LYS 138 Ca 0.22 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1ye5 h LYS 138 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1ye5 h LYS 138 CO -0.04 0.77 0.22 1.49 -0.57 0.00 0.00 179.45 181.31 1ye5 h GLU 139 N 0.60 0.70 -0.54 3.15 4.57 -0.61 -1.27 114.58 121.19 1ye5 h GLU 139 Ca 0.10 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1ye5 h GLU 139 Cb 0.56 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1ye5 h GLU 139 CO 0.04 0.61 -0.01 0.28 -1.18 0.00 0.00 179.01 178.74 1ye5 h VAL 140 N 0.64 1.26 -0.70 0.32 2.07 -1.05 -1.46 116.25 117.33 1ye5 h VAL 140 Ca 0.16 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ye5 h VAL 140 Cb 0.15 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1ye5 h VAL 140 CO -0.02 0.39 0.36 -0.33 0.02 0.00 0.00 177.57 178.00 1ye5 h GLU 141 N 0.85 0.99 -0.71 1.57 5.08 -1.03 -1.56 114.58 119.76 1ye5 h GLU 141 Ca 0.16 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ye5 h GLU 141 Cb 0.52 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1ye5 h GLU 141 CO 0.03 0.76 0.46 1.25 -1.00 0.00 0.00 179.01 180.50 1ye5 h LEU 142 N 0.96 0.77 -0.73 1.33 6.46 -0.78 -0.48 115.31 122.84 1ye5 h LEU 142 Ca 0.24 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 1ye5 h LEU 142 Cb 0.08 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 1ye5 h LEU 142 CO -0.04 0.54 0.41 0.24 -0.62 0.00 0.00 178.44 178.98 1ye5 h MET 143 N 0.91 0.71 -0.19 1.25 2.86 -0.52 -1.51 114.93 118.44 1ye5 h MET 143 Ca 0.28 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1ye5 h MET 143 Cb -0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1ye5 h MET 143 CO -0.09 0.47 0.02 0.28 1.06 0.00 0.00 176.91 178.65 1ye5 h VAL 144 N 0.73 1.23 -0.84 -2.22 2.07 -0.39 -2.91 116.25 113.92 1ye5 h VAL 144 Ca 0.34 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 67.18 1ye5 h VAL 144 Cb 0.25 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1ye5 h VAL 144 CO -0.21 0.24 0.54 -0.08 0.02 0.00 0.00 177.57 178.08 1ye5 h GLU 145 N 0.11 0.76 0.00 1.57 4.81 -0.58 -2.18 114.58 119.07 1ye5 h GLU 145 Ca 0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ye5 h GLU 145 Cb 0.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ye5 h GLU 145 CO 0.01 0.51 0.00 0.87 -0.73 0.00 0.00 179.01 179.66 1ye5 h LYS 146 N 0.79 0.00 -7.16 1.92 1.57 -1.16 -3.47 116.57 109.06 1ye5 h LYS 146 Ca 0.39 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.64 1ye5 h LYS 146 Cb 0.45 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.89 1ye5 h LYS 146 CO -0.16 0.00 0.41 -1.21 -0.57 0.00 0.00 179.45 177.92 1ye5 s GLU 147 N -3.36 2.51 0.00 3.15 2.02 -0.82 -5.11 118.70 117.09 1ye5 s GLU 147 Ca 0.05 1.71 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1ye5 s GLU 147 Cb 0.07 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1ye5 s GLU 147 CO 0.61 -1.53 0.48 1.28 0.02 0.00 0.00 175.26 176.11