#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oe1 s SER 0 N 0.00 -0.25 0.33 -3.46 1.04 -1.26 -4.62 113.70 105.48 2oe1 s SER 0 Ca 0.00 -0.62 0.12 0.00 0.48 0.00 0.00 55.95 55.93 2oe1 s SER 0 Cb 0.00 0.72 1.00 0.00 0.10 0.00 0.00 66.02 67.84 2oe1 s SER 0 CO 0.00 -1.34 1.66 0.22 0.98 0.00 0.00 173.24 174.77 2oe1 h TYR 1 N 2.01 0.81 -0.49 5.02 3.20 -1.86 -0.96 116.97 124.70 2oe1 h TYR 1 Ca -0.19 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.63 2oe1 h TYR 1 Cb 1.25 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2oe1 h TYR 1 CO 0.43 -0.17 -0.03 1.15 -1.64 0.00 0.00 178.16 177.89 2oe1 h THR 2 N 0.31 1.25 0.00 1.81 2.02 -1.95 -3.31 112.91 113.04 2oe1 h THR 2 Ca 0.69 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2oe1 h THR 2 Cb 1.53 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2oe1 h THR 2 CO -0.61 0.38 -1.41 -1.54 0.37 0.00 0.00 175.52 172.71 2oe1 n SER 3 N -4.19 0.62 -4.75 4.18 3.41 -0.43 -4.97 113.62 107.48 2oe1 n SER 3 Ca 0.02 -0.54 -0.37 0.00 -0.26 0.00 0.00 58.87 57.72 2oe1 n SER 3 Cb 0.33 1.43 0.04 0.00 -0.26 0.00 0.00 64.21 65.74 2oe1 n SER 3 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2oe1 s ILE 4 N -3.16 2.41 0.16 -1.33 -4.36 -0.79 -4.91 121.20 109.22 2oe1 s ILE 4 Ca 0.01 0.27 -0.33 0.00 -0.26 0.00 0.00 60.65 60.34 2oe1 s ILE 4 Cb 0.15 -3.12 -0.16 0.00 1.25 0.00 0.00 42.46 40.57 2oe1 s ILE 4 CO 0.85 -0.04 1.19 0.41 0.24 0.00 0.00 174.94 177.60 2oe1 n THR 5 N -1.37 0.79 -3.82 8.37 -1.04 -1.26 -4.73 114.28 111.22 2oe1 n THR 5 Ca 0.12 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 2oe1 n THR 5 Cb 0.48 -0.86 -0.13 0.00 -1.82 0.00 0.00 70.33 68.00 2oe1 n THR 5 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2oe1 s LYS 6 N -0.28 3.56 0.00 -2.82 2.20 -1.26 -0.89 119.74 120.26 2oe1 s LYS 6 Ca 0.74 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 2oe1 s LYS 6 Cb -0.86 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 2oe1 s LYS 6 CO 0.51 -0.18 1.28 -0.51 -0.36 0.00 0.00 175.35 176.09 2oe1 s LEU 7 N 1.53 4.32 0.00 5.43 1.43 0.53 -4.90 118.68 127.02 2oe1 s LEU 7 Ca 0.06 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2oe1 s LEU 7 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2oe1 s LEU 7 CO 0.01 -0.60 0.20 0.35 0.23 0.00 0.00 176.35 176.54 2oe1 n THR 8 N 4.41 0.00 -3.68 5.49 -2.24 -1.26 -4.50 114.28 112.50 2oe1 n THR 8 Ca 0.11 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2oe1 n THR 8 Cb 0.45 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2oe1 n THR 8 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2oe1 s ASN 9 N -0.53 -0.20 0.15 3.42 2.20 -1.26 -4.96 114.94 113.76 2oe1 s ASN 9 Ca 0.00 -0.40 -0.12 0.00 -0.94 0.00 0.00 52.86 51.40 2oe1 s ASN 9 Cb 0.00 0.48 0.02 0.00 -2.00 0.00 0.00 41.25 39.75 2oe1 s ASN 9 CO 0.00 -0.88 1.59 -0.07 -2.94 0.00 0.00 177.10 174.80 2oe1 h LEU 10 N 2.37 0.89 -0.43 3.54 3.38 -1.97 -1.82 115.31 121.27 2oe1 h LEU 10 Ca -0.33 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.36 2oe1 h LEU 10 Cb 1.25 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2oe1 h LEU 10 CO 0.46 1.00 0.17 0.74 0.09 0.00 0.00 178.44 180.90 2oe1 h THR 11 N 0.76 0.90 -0.15 0.22 2.02 -1.99 0.61 112.91 115.28 2oe1 h THR 11 Ca 0.14 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2oe1 h THR 11 Cb 0.57 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2oe1 h THR 11 CO 0.03 0.06 0.08 -0.08 0.37 0.00 0.00 175.52 175.99 2oe1 h GLU 12 N 0.35 0.22 -0.00 6.66 4.81 -1.94 -2.05 114.58 122.63 2oe1 h GLU 12 Ca 0.19 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2oe1 h GLU 12 Cb 0.16 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 2oe1 h GLU 12 CO -0.18 0.24 -0.37 0.35 -0.73 0.00 0.00 179.01 178.32 2oe1 h PHE 13 N 0.13 -1.04 -0.85 0.92 3.57 -1.08 -0.40 116.94 118.19 2oe1 h PHE 13 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2oe1 h PHE 13 Cb 0.10 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2oe1 h PHE 13 CO -0.03 -0.46 0.46 0.00 -2.23 0.00 0.00 178.31 176.04 2oe1 h ARG 14 N -0.53 1.20 0.01 1.11 3.08 -0.83 -2.55 114.38 115.87 2oe1 h ARG 14 Ca 0.05 -0.15 -0.24 0.00 0.07 0.00 0.00 59.98 59.72 2oe1 h ARG 14 Cb 0.61 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.44 2oe1 h ARG 14 CO -0.30 0.89 -0.98 -0.91 -1.07 0.00 0.00 179.97 177.60 2oe1 h ASN 15 N 1.19 0.59 0.48 7.04 2.35 -1.29 -2.87 115.58 123.07 2oe1 h ASN 15 Ca 0.30 -0.48 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 2oe1 h ASN 15 Cb 0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2oe1 h ASN 15 CO -0.05 1.29 -0.48 0.25 -1.65 0.00 0.00 177.43 176.79 2oe1 h LEU 16 N 0.25 0.00 0.09 1.61 6.46 -0.98 -0.92 115.31 121.82 2oe1 h LEU 16 Ca -0.09 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2oe1 h LEU 16 Cb 1.62 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 2oe1 h LEU 16 CO 0.17 0.48 -0.04 0.40 -0.62 0.00 0.00 178.44 178.83 2oe1 h ILE 17 N 0.00 0.92 -0.14 4.05 2.04 -1.43 -2.95 117.51 120.00 2oe1 h ILE 17 Ca -0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2oe1 h ILE 17 Cb 0.85 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2oe1 h ILE 17 CO 0.06 0.01 0.01 0.11 0.00 0.00 0.00 178.15 178.34 2oe1 h LYS 18 N -0.13 0.20 0.00 2.37 1.57 -1.21 -2.55 116.57 116.81 2oe1 h LYS 18 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2oe1 h LYS 18 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2oe1 h LYS 18 CO 0.02 0.21 0.00 1.96 -0.57 0.00 0.00 179.45 181.07 2oe1 h GLN 19 N 0.20 0.00 -5.62 3.15 4.20 -1.09 -3.40 115.11 112.54 2oe1 h GLN 19 Ca 0.05 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.09 2oe1 h GLN 19 Cb 0.12 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.65 2oe1 h GLN 19 CO 0.00 0.00 -0.76 -0.80 -0.67 0.00 0.00 178.83 176.60 2oe1 s ASN 20 N -5.41 4.10 0.21 1.46 0.01 -0.96 -4.98 114.94 109.38 2oe1 s ASN 20 Ca 0.08 -0.26 0.10 0.00 -0.71 0.00 0.00 52.86 52.08 2oe1 s ASN 20 Cb 0.08 -1.40 0.07 0.00 0.41 0.00 0.00 41.25 40.42 2oe1 s ASN 20 CO 0.63 0.22 1.44 0.44 -1.51 0.00 0.00 177.10 178.32 2oe1 h ASP 21 N 6.27 0.00 -3.30 -1.22 3.32 -1.89 -0.96 116.42 118.63 2oe1 h ASP 21 Ca -0.33 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.52 2oe1 h ASP 21 Cb 1.19 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 2oe1 h ASP 21 CO 0.55 0.76 -0.50 -0.54 -1.72 0.00 0.00 179.24 177.78 2oe1 s LYS 22 N -3.08 0.19 -0.08 3.56 1.02 -1.26 -0.21 119.74 119.88 2oe1 s LYS 22 Ca 0.01 0.54 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 2oe1 s LYS 22 Cb 0.10 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2oe1 s LYS 22 CO 0.78 -0.18 0.21 -1.17 -0.92 0.00 0.00 175.35 174.07 2oe1 s LEU 23 N 1.40 1.19 -0.13 3.17 2.96 -0.37 -1.26 118.68 125.65 2oe1 s LEU 23 Ca -0.08 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 2oe1 s LEU 23 Cb -0.11 0.71 0.02 0.00 0.50 0.00 0.00 46.19 47.31 2oe1 s LEU 23 CO -0.08 -0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.05 2oe1 s VAL 24 N 0.15 1.45 -0.23 1.68 1.01 0.30 -0.42 120.40 124.34 2oe1 s VAL 24 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 2oe1 s VAL 24 Cb -0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2oe1 s VAL 24 CO 0.00 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 174.95 2oe1 s ILE 25 N 1.31 4.24 -0.52 2.22 1.01 -0.07 -0.62 121.20 128.76 2oe1 s ILE 25 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2oe1 s ILE 25 Cb -0.14 -2.96 0.08 0.00 0.01 0.00 0.00 42.46 39.45 2oe1 s ILE 25 CO -0.07 0.38 0.60 -0.62 0.00 0.00 0.00 174.94 175.24 2oe1 s ASP 26 N 1.31 6.20 -0.30 3.58 -1.08 -0.20 -0.96 116.67 125.22 2oe1 s ASP 26 Ca 0.05 -1.16 -0.26 0.00 -0.52 0.00 0.00 52.55 50.66 2oe1 s ASP 26 Cb -0.15 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 2oe1 s ASP 26 CO 0.03 -0.91 0.91 -0.36 0.52 0.00 0.00 175.17 175.36 2oe1 s PHE 27 N 2.44 3.20 0.22 -5.34 0.40 -0.03 -0.58 117.98 118.29 2oe1 s PHE 27 Ca 0.12 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 2oe1 s PHE 27 Cb -0.22 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 2oe1 s PHE 27 CO 0.09 -0.62 0.11 1.52 0.70 0.00 0.00 175.22 177.02 2oe1 s TYR 28 N 3.21 1.30 -0.02 0.36 -0.85 -0.32 -1.79 117.35 119.24 2oe1 s TYR 28 Ca 0.38 -1.27 0.03 0.00 -0.52 0.00 0.00 57.07 55.69 2oe1 s TYR 28 Cb -0.14 -0.70 -0.00 0.00 0.38 0.00 0.00 41.96 41.50 2oe1 s TYR 28 CO 0.13 -0.49 -0.10 0.00 -1.52 0.00 0.00 175.55 173.56 2oe1 s ALA 29 N -3.96 0.92 0.43 9.51 0.00 -1.26 -1.08 121.76 126.32 2oe1 s ALA 29 Ca 0.37 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 52.02 2oe1 s ALA 29 Cb 0.07 -0.29 0.95 0.00 0.00 0.00 0.00 23.12 23.86 2oe1 s ALA 29 CO 0.12 0.19 2.02 1.79 0.00 0.00 0.00 175.76 179.87 2oe1 h THR 30 N 5.13 1.11 -0.00 0.00 1.35 -1.99 -2.58 112.91 115.93 2oe1 h THR 30 Ca -0.33 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2oe1 h THR 30 Cb 1.17 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2oe1 h THR 30 CO 0.49 0.14 -0.04 -2.67 -0.25 0.00 0.00 175.52 173.19 2oe1 n TRP 31 N -4.39 0.00 -3.18 4.73 4.27 -1.26 -4.88 117.44 112.72 2oe1 n TRP 31 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.20 2oe1 n TRP 31 Cb 0.17 -0.36 -0.07 0.00 -1.36 0.00 0.00 31.31 29.69 2oe1 n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2oe1 h GLY 33 N 8.78 0.77 1.91 0.00 0.00 -1.90 -2.11 103.07 110.52 2oe1 h GLY 33 Ca -0.28 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.56 2oe1 h GLY 33 CO 0.74 0.46 0.04 -2.55 0.00 0.00 0.00 176.54 175.23 2oe1 h PRO 34 N 0.58 0.04 -0.12 4.80 0.11 -1.94 -0.17 132.00 135.30 2oe1 h PRO 34 Ca 0.14 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2oe1 h PRO 34 Cb 0.34 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 2oe1 h PRO 34 CO 0.00 0.03 -0.01 0.00 -0.21 0.00 0.00 178.00 177.81 2oe1 h LYS 36 N -0.07 0.92 -0.93 0.00 1.57 -1.13 -1.82 116.57 115.12 2oe1 h LYS 36 Ca 0.03 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2oe1 h LYS 36 Cb 0.39 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2oe1 h LYS 36 CO 0.01 0.61 0.60 1.98 -0.57 0.00 0.00 179.45 182.08 2oe1 h MET 37 N 0.95 1.01 0.00 3.15 4.05 -1.01 -2.46 114.93 120.61 2oe1 h MET 37 Ca 0.26 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2oe1 h MET 37 Cb -0.09 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.48 2oe1 h MET 37 CO -0.06 0.67 0.00 -1.33 0.23 0.00 0.00 176.91 176.41 2oe1 n MET 38 N -4.50 0.21 0.06 0.39 2.81 -0.71 -4.18 117.12 111.19 2oe1 n MET 38 Ca 0.14 0.28 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 2oe1 n MET 38 Cb 0.22 -1.79 -0.05 0.00 -0.71 0.00 0.00 33.22 30.88 2oe1 n MET 38 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2oe1 h GLN 39 N 0.00 -0.16 0.00 0.03 4.20 -1.17 -0.30 115.11 117.71 2oe1 h GLN 39 Ca 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2oe1 h GLN 39 Cb 0.56 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2oe1 h GLN 39 CO 0.00 -0.11 -0.32 -1.00 -0.67 0.00 0.00 178.83 176.73 2oe1 h PRO 40 N -0.17 0.00 -0.54 1.46 0.13 -1.78 -2.04 132.00 129.06 2oe1 h PRO 40 Ca 0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 2oe1 h PRO 40 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 2oe1 h PRO 40 CO -0.08 0.32 0.20 0.45 -0.23 0.00 0.00 178.00 178.65 2oe1 h HIS 41 N 0.00 0.85 -0.40 1.56 3.86 -1.66 -2.62 115.15 116.74 2oe1 h HIS 41 Ca -0.00 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2oe1 h HIS 41 Cb 0.58 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2oe1 h HIS 41 CO 0.00 0.70 0.20 1.25 0.86 0.00 0.00 177.93 180.94 2oe1 h LEU 42 N 0.74 0.52 -0.76 2.43 5.85 -0.82 -1.63 115.31 121.65 2oe1 h LEU 42 Ca 0.18 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2oe1 h LEU 42 Cb 0.23 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2oe1 h LEU 42 CO -0.01 0.50 0.41 0.74 -0.34 0.00 0.00 178.44 179.73 2oe1 h THR 43 N 0.51 0.88 -0.72 1.05 2.02 -1.35 0.43 112.91 115.73 2oe1 h THR 43 Ca 0.14 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 2oe1 h THR 43 Cb 0.11 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 2oe1 h THR 43 CO -0.02 0.13 0.20 0.11 0.37 0.00 0.00 175.52 176.31 2oe1 h LYS 44 N 0.69 1.13 -0.30 6.66 1.57 -1.26 -2.50 116.57 122.57 2oe1 h LYS 44 Ca 0.37 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 2oe1 h LYS 44 Cb 0.36 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2oe1 h LYS 44 CO -0.26 0.98 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.05 2oe1 h LEU 45 N 1.07 0.90 -0.68 2.94 3.38 -0.53 -0.98 115.31 121.41 2oe1 h LEU 45 Ca 0.23 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2oe1 h LEU 45 Cb 0.33 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2oe1 h LEU 45 CO -0.00 1.23 0.35 0.40 0.09 0.00 0.00 178.44 180.51 2oe1 h ILE 46 N 0.65 0.91 -0.01 1.22 2.04 -0.05 -1.15 117.51 121.11 2oe1 h ILE 46 Ca 0.03 -0.22 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 2oe1 h ILE 46 Cb 1.06 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2oe1 h ILE 46 CO 0.11 0.12 -0.85 1.56 0.00 0.00 0.00 178.15 179.08 2oe1 h GLN 47 N 0.63 0.27 0.00 2.37 4.20 -1.36 -3.31 115.11 117.91 2oe1 h GLN 47 Ca 0.32 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 2oe1 h GLN 47 Cb 0.27 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2oe1 h GLN 47 CO -0.22 0.97 -0.47 0.00 -0.67 0.00 0.00 178.83 178.43 2oe1 h ALA 48 N 0.94 0.85 -2.18 3.87 0.00 -0.90 -3.35 119.26 118.49 2oe1 h ALA 48 Ca -0.05 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 2oe1 h ALA 48 Cb 1.47 -0.08 -0.42 0.00 0.00 0.00 0.00 17.79 18.77 2oe1 h ALA 48 CO 0.14 0.59 -0.67 0.66 0.00 0.00 0.00 179.25 179.97 2oe1 n TYR 49 N -3.45 3.04 0.36 0.00 4.02 -0.46 -4.93 117.16 115.74 2oe1 n TYR 49 Ca 0.00 -4.07 0.10 0.00 -0.01 0.00 0.00 57.90 53.92 2oe1 n TYR 49 Cb 0.61 -0.53 0.43 0.00 -0.02 0.00 0.00 39.34 39.83 2oe1 n TYR 49 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2oe1 n PRO 50 N 0.95 0.13 0.00 -0.72 -0.04 -1.25 -1.48 135.00 132.59 2oe1 n PRO 50 Ca 0.28 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 2oe1 n PRO 50 Cb 0.43 -1.77 0.58 0.00 -0.04 0.00 0.00 33.50 32.70 2oe1 n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2oe1 n ASP 51 N -2.02 0.00 -4.47 3.54 5.75 -1.26 -4.77 116.55 113.32 2oe1 n ASP 51 Ca 0.02 0.33 -0.34 0.00 -0.01 0.00 0.00 54.79 54.79 2oe1 n ASP 51 Cb 0.17 -0.44 -0.12 0.00 -1.03 0.00 0.00 41.12 39.70 2oe1 n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2oe1 s VAL 52 N -2.88 3.79 -0.19 2.12 1.01 -0.55 -4.64 120.40 119.06 2oe1 s VAL 52 Ca 0.16 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 2oe1 s VAL 52 Cb 0.17 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2oe1 s VAL 52 CO 0.45 0.49 0.82 -0.60 0.00 0.00 0.00 175.10 176.25 2oe1 s ARG 53 N 0.46 4.26 -0.15 2.72 6.06 -0.39 -4.96 118.95 126.96 2oe1 s ARG 53 Ca -0.04 0.97 -0.05 0.00 -2.50 0.00 0.00 55.73 54.12 2oe1 s ARG 53 Cb -0.14 -3.59 -0.03 0.00 0.06 0.00 0.00 34.95 31.24 2oe1 s ARG 53 CO 0.03 -0.37 0.00 -0.06 -2.50 0.00 0.00 175.30 172.41 2oe1 s PHE 54 N 2.29 3.12 0.29 5.12 0.40 -1.26 -0.54 117.98 127.40 2oe1 s PHE 54 Ca 0.37 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 2oe1 s PHE 54 Cb -0.16 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.34 2oe1 s PHE 54 CO 0.11 0.11 0.06 0.14 0.70 0.00 0.00 175.22 176.34 2oe1 s VAL 55 N 0.16 0.94 0.08 -0.44 -7.23 0.21 -4.40 120.40 109.72 2oe1 s VAL 55 Ca 0.01 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2oe1 s VAL 55 Cb -0.13 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2oe1 s VAL 55 CO 0.02 -0.05 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.11 2oe1 s LYS 56 N -3.94 0.77 -0.14 4.82 -2.85 -0.07 -1.04 119.74 117.29 2oe1 s LYS 56 Ca 0.36 -1.27 -0.06 0.00 -1.00 0.00 0.00 55.97 54.01 2oe1 s LYS 56 Cb 0.08 -0.13 0.07 0.00 -2.06 0.00 0.00 37.83 35.78 2oe1 s LYS 56 CO 0.14 -0.03 0.30 0.00 0.10 0.00 0.00 175.35 175.86 2oe1 s ASP 58 N 2.21 6.61 0.48 0.00 -1.08 -1.26 -1.18 116.67 122.45 2oe1 s ASP 58 Ca -0.02 0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.61 2oe1 s ASP 58 Cb -0.12 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.97 2oe1 s ASP 58 CO -0.10 -1.23 2.04 -0.37 0.52 0.00 0.00 175.17 176.04 2oe1 h VAL 59 N 6.21 0.98 -0.03 1.11 -1.51 -1.39 0.20 116.25 121.82 2oe1 h VAL 59 Ca -0.23 -0.51 -0.24 0.00 -1.23 0.00 0.00 66.70 64.48 2oe1 h VAL 59 Cb 1.06 1.29 0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2oe1 h VAL 59 CO 1.11 0.14 -0.94 0.44 -1.23 0.00 0.00 177.57 177.10 2oe1 h ASP 60 N 0.00 0.77 0.29 4.19 3.32 -1.92 -2.97 116.42 120.09 2oe1 h ASP 60 Ca -0.00 -0.58 -0.17 0.00 0.02 0.00 0.00 57.03 56.30 2oe1 h ASP 60 Cb 0.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2oe1 h ASP 60 CO 0.02 1.38 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.92 2oe1 h GLU 61 N 0.36 0.35 -2.12 3.56 5.08 -1.80 -3.38 114.58 116.62 2oe1 h GLU 61 Ca -0.09 -0.26 -0.56 0.00 -1.00 0.00 0.00 59.36 57.44 2oe1 h GLU 61 Cb 1.58 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 30.47 2oe1 h GLU 61 CO 0.18 0.89 -0.87 0.43 -1.00 0.00 0.00 179.01 178.64 2oe1 n SER 62 N -3.85 2.38 0.15 1.42 7.64 0.66 -4.91 113.62 117.10 2oe1 n SER 62 Ca -0.03 -3.22 0.13 0.00 1.01 0.00 0.00 58.87 56.76 2oe1 n SER 62 Cb 0.67 -0.63 0.50 0.00 -1.01 0.00 0.00 64.21 63.74 2oe1 n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2oe1 h PRO 63 N 3.59 0.00 -0.14 1.43 0.13 -1.71 -2.01 132.00 133.28 2oe1 h PRO 63 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 2oe1 h PRO 63 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2oe1 h PRO 63 CO 0.66 0.00 -0.54 0.38 -0.23 0.00 0.00 178.00 178.27 2oe1 h ASP 64 N 0.00 0.46 -0.16 1.44 2.03 -1.91 -1.64 116.42 116.64 2oe1 h ASP 64 Ca 0.00 -0.24 -0.16 0.00 -0.73 0.00 0.00 57.03 55.89 2oe1 h ASP 64 Cb 0.46 -0.13 0.01 0.00 -0.83 0.00 0.00 39.33 38.83 2oe1 h ASP 64 CO 0.00 0.91 -0.54 0.40 -1.03 0.00 0.00 179.24 178.99 2oe1 h ILE 65 N 0.32 1.32 -0.72 4.15 2.04 -1.77 -2.07 117.51 120.79 2oe1 h ILE 65 Ca 0.01 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 2oe1 h ILE 65 Cb 1.05 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 2oe1 h ILE 65 CO 0.09 0.55 0.41 0.00 0.00 0.00 0.00 178.15 179.21 2oe1 h ALA 66 N 0.55 0.92 -0.64 1.87 0.00 -1.47 -2.23 119.26 118.26 2oe1 h ALA 66 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2oe1 h ALA 66 Cb 1.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2oe1 h ALA 66 CO 0.11 0.41 0.18 -0.22 0.00 0.00 0.00 179.25 179.74 2oe1 h LYS 67 N 0.98 1.00 -0.79 0.00 1.63 -1.29 0.15 116.57 118.25 2oe1 h LYS 67 Ca 0.25 -0.23 0.09 0.00 -0.85 0.00 0.00 60.65 59.92 2oe1 h LYS 67 Cb 0.00 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 2oe1 h LYS 67 CO -0.04 0.89 0.52 1.49 -3.45 0.00 0.00 179.45 178.85 2oe1 h GLU 68 N 0.93 0.71 -0.52 1.90 4.57 -0.84 0.14 114.58 121.47 2oe1 h GLU 68 Ca 0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2oe1 h GLU 68 Cb 0.32 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2oe1 h GLU 68 CO -0.00 0.47 0.00 0.00 -1.18 0.00 0.00 179.01 178.30 2oe1 n GLU 70 N 0.99 -2.13 -2.72 0.00 -0.58 0.04 -4.89 120.64 111.34 2oe1 n GLU 70 Ca 0.17 0.27 -0.42 0.00 -0.42 0.00 0.00 57.16 56.76 2oe1 n GLU 70 Cb 0.44 -4.04 -0.03 0.00 -0.57 0.00 0.00 31.44 27.25 2oe1 n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2oe1 s VAL 71 N -4.08 4.77 -0.07 2.62 1.01 0.46 -4.92 120.40 120.18 2oe1 s VAL 71 Ca 0.05 1.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.90 2oe1 s VAL 71 Cb -0.02 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2oe1 s VAL 71 CO 0.93 -0.05 -0.17 0.35 0.00 0.00 0.00 175.10 176.16 2oe1 n THR 72 N 4.85 1.17 -3.30 3.92 -2.24 -1.26 -4.81 114.28 112.61 2oe1 n THR 72 Ca 0.09 0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 2oe1 n THR 72 Cb 0.48 -1.87 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 2oe1 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oe1 s ALA 73 N -2.38 3.51 -0.09 6.98 0.00 -1.26 -5.08 121.76 123.44 2oe1 s ALA 73 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2oe1 s ALA 73 Cb 0.04 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2oe1 s ALA 73 CO 0.22 0.43 -0.08 -1.64 0.00 0.00 0.00 175.76 174.69 2oe1 s MET 74 N -2.37 2.93 0.51 0.00 1.00 -1.26 -3.29 119.30 116.81 2oe1 s MET 74 Ca 0.44 -0.58 -0.18 0.00 0.00 0.00 0.00 55.69 55.37 2oe1 s MET 74 Cb -0.13 -2.61 -0.07 0.00 0.00 0.00 0.00 34.83 32.01 2oe1 s MET 74 CO 0.20 0.54 1.01 -1.25 0.00 0.00 0.00 175.02 175.52 2oe1 s PRO 75 N -0.49 3.81 -0.14 2.03 0.04 -1.26 -4.64 135.00 134.35 2oe1 s PRO 75 Ca 0.07 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2oe1 s PRO 75 Cb -0.12 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2oe1 s PRO 75 CO 0.02 -0.40 -0.21 0.99 0.04 0.00 0.00 177.00 177.44 2oe1 s THR 76 N -2.38 1.97 -0.27 1.26 2.01 -0.74 -0.20 115.64 117.29 2oe1 s THR 76 Ca 0.62 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 2oe1 s THR 76 Cb -0.13 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2oe1 s THR 76 CO 0.27 0.53 0.17 -0.36 -0.69 0.00 0.00 174.62 174.54 2oe1 s PHE 77 N 0.87 3.19 -0.20 4.92 0.40 0.37 -0.85 117.98 126.68 2oe1 s PHE 77 Ca -0.06 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 2oe1 s PHE 77 Cb -0.15 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2oe1 s PHE 77 CO -0.03 -0.20 0.03 0.08 0.70 0.00 0.00 175.22 175.81 2oe1 s VAL 78 N 1.73 4.23 -0.12 -0.44 1.01 -0.13 -0.50 120.40 126.18 2oe1 s VAL 78 Ca 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 2oe1 s VAL 78 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2oe1 s VAL 78 CO 0.10 0.42 0.13 -0.76 0.00 0.00 0.00 175.10 174.98 2oe1 s LEU 79 N 0.93 4.30 0.09 3.92 1.43 0.73 -0.90 118.68 129.18 2oe1 s LEU 79 Ca 0.02 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2oe1 s LEU 79 Cb -0.14 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2oe1 s LEU 79 CO 0.02 0.40 -0.22 -0.83 0.23 0.00 0.00 176.35 175.95 2oe1 s GLY 80 N -0.97 1.25 -0.19 -3.19 0.00 0.44 -0.22 107.32 104.45 2oe1 s GLY 80 Ca 0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 2oe1 s GLY 80 CO 0.04 -1.20 0.39 1.25 0.00 0.00 0.00 173.10 173.58 2oe1 s LYS 81 N -1.71 0.30 -1.21 2.90 2.47 0.45 -1.23 119.74 121.70 2oe1 s LYS 81 Ca 0.08 0.98 -0.01 0.00 -1.56 0.00 0.00 55.97 55.45 2oe1 s LYS 81 Cb -0.10 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.53 2oe1 s LYS 81 CO 0.04 -0.25 1.02 -0.25 0.16 0.00 0.00 175.35 176.06 2oe1 n ASP 82 N 5.33 -2.59 0.00 1.43 8.00 0.71 -3.16 116.55 126.27 2oe1 n ASP 82 Ca -0.09 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2oe1 n ASP 82 Cb 0.50 -5.09 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 2oe1 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oe1 n GLY 83 N -1.24 0.48 3.34 0.44 0.00 -0.37 -4.97 105.19 102.87 2oe1 n GLY 83 Ca -0.25 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2oe1 n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oe1 s GLN 84 N -1.08 0.51 0.15 1.61 0.74 -1.19 -3.87 119.66 116.53 2oe1 s GLN 84 Ca 0.00 0.67 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 2oe1 s GLN 84 Cb 0.00 0.21 -0.07 0.00 1.10 0.00 0.00 33.01 34.25 2oe1 s GLN 84 CO 0.00 -0.08 1.02 -0.51 -0.55 0.00 0.00 175.29 175.17 2oe1 s LEU 85 N 0.45 4.51 -0.01 3.68 1.43 -1.26 -0.41 118.68 127.07 2oe1 s LEU 85 Ca -0.02 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 2oe1 s LEU 85 Cb -0.04 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2oe1 s LEU 85 CO -0.02 -0.10 0.04 2.30 0.23 0.00 0.00 176.35 178.80 2oe1 n ILE 86 N 2.47 0.04 -3.65 -0.59 -5.35 0.69 -4.91 119.36 108.05 2oe1 n ILE 86 Ca 0.02 -0.07 0.03 0.00 -0.27 0.00 0.00 62.75 62.46 2oe1 n ILE 86 Cb 0.48 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 2oe1 n ILE 86 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2oe1 s GLY 87 N -2.56 -0.42 0.10 3.28 0.00 -1.16 -5.00 107.32 101.56 2oe1 s GLY 87 Ca -0.01 0.73 0.09 0.00 0.00 0.00 0.00 44.72 45.53 2oe1 s GLY 87 CO 0.10 1.23 -0.24 0.54 0.00 0.00 0.00 173.10 174.73 2oe1 s LYS 88 N -2.15 1.34 -0.15 2.90 1.02 -1.26 -0.20 119.74 121.25 2oe1 s LYS 88 Ca 0.17 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 54.99 2oe1 s LYS 88 Cb 0.05 -1.65 0.02 0.00 -0.52 0.00 0.00 37.83 35.73 2oe1 s LYS 88 CO -0.05 0.40 -0.17 0.42 -0.92 0.00 0.00 175.35 175.02 2oe1 s ILE 89 N -1.03 1.78 -0.17 2.17 1.01 0.35 -4.99 121.20 120.32 2oe1 s ILE 89 Ca 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2oe1 s ILE 89 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2oe1 s ILE 89 CO 0.04 0.49 -0.02 -0.63 0.00 0.00 0.00 174.94 174.83 2oe1 s ILE 90 N 1.19 3.97 0.00 2.92 1.01 -1.26 -0.48 121.20 128.56 2oe1 s ILE 90 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2oe1 s ILE 90 Cb -0.14 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2oe1 s ILE 90 CO -0.08 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2oe1 n GLY 91 N 3.77 1.33 2.71 6.18 0.00 0.72 -4.71 105.19 115.18 2oe1 n GLY 91 Ca -0.17 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 2oe1 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oe1 n ALA 92 N 1.74 5.43 -3.91 4.61 0.00 -1.26 -4.73 120.51 122.40 2oe1 n ALA 92 Ca 0.00 -3.53 -0.29 0.00 0.00 0.00 0.00 53.44 49.62 2oe1 n ALA 92 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 19.45 15.84 2oe1 n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2oe1 s ASN 93 N 3.37 4.69 0.47 0.00 3.84 -1.26 -4.99 114.94 121.06 2oe1 s ASN 93 Ca 0.53 -3.58 0.13 0.00 0.21 0.00 0.00 52.86 50.15 2oe1 s ASN 93 Cb 0.15 -1.65 1.10 0.00 -0.55 0.00 0.00 41.25 40.30 2oe1 s ASN 93 CO -0.04 -0.13 2.07 -0.65 -2.79 0.00 0.00 177.10 175.56 2oe1 h PRO 94 N 5.77 0.26 0.01 0.43 0.11 -1.99 -0.73 132.00 135.85 2oe1 h PRO 94 Ca 0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2oe1 h PRO 94 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2oe1 h PRO 94 CO 0.71 0.17 -0.00 1.15 -0.21 0.00 0.00 178.00 179.82 2oe1 h THR 95 N 0.27 1.40 -0.48 -1.15 2.02 -1.99 -0.58 112.91 112.40 2oe1 h THR 95 Ca 0.12 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 2oe1 h THR 95 Cb 0.17 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 2oe1 h THR 95 CO -0.03 0.32 0.14 0.00 0.37 0.00 0.00 175.52 176.32 2oe1 h ALA 96 N 0.43 1.34 -0.02 6.16 0.00 -1.96 -1.04 119.26 124.17 2oe1 h ALA 96 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2oe1 h ALA 96 Cb 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oe1 h ALA 96 CO 0.00 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.97 2oe1 h LEU 97 N 0.69 0.04 -0.83 0.00 5.85 -1.07 -1.25 115.31 118.75 2oe1 h LEU 97 Ca 0.16 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2oe1 h LEU 97 Cb 0.23 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2oe1 h LEU 97 CO -0.01 0.39 0.55 -0.08 -0.34 0.00 0.00 178.44 178.95 2oe1 h GLU 98 N -0.31 1.07 -0.17 1.25 4.81 -0.97 -1.06 114.58 119.21 2oe1 h GLU 98 Ca 0.01 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2oe1 h GLU 98 Cb 0.37 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2oe1 h GLU 98 CO 0.00 0.71 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.76 2oe1 h LYS 99 N 1.10 0.04 -0.82 1.92 3.64 -1.08 -0.79 116.57 120.58 2oe1 h LYS 99 Ca 0.31 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2oe1 h LYS 99 Cb -0.09 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2oe1 h LYS 99 CO -0.08 0.02 0.54 0.78 -2.27 0.00 0.00 179.45 178.44 2oe1 h GLY 100 N 0.04 1.17 0.92 5.01 0.00 -0.87 -2.48 103.07 106.86 2oe1 h GLY 100 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.01 2oe1 h GLY 100 CO -0.15 0.40 0.46 -2.22 0.00 0.00 0.00 176.54 175.03 2oe1 h ILE 101 N 1.09 1.13 0.00 2.60 2.04 -0.85 -2.24 117.51 121.29 2oe1 h ILE 101 Ca 0.31 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2oe1 h ILE 101 Cb -0.09 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2oe1 h ILE 101 CO -0.08 0.17 -0.06 0.11 0.00 0.00 0.00 178.15 178.29 2oe1 h LYS 102 N 0.92 0.00 0.00 2.37 1.57 -0.73 -2.35 116.57 118.35 2oe1 h LYS 102 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2oe1 h LYS 102 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2oe1 h LYS 102 CO -0.09 0.06 -0.22 -0.25 -0.57 0.00 0.00 179.45 178.38 2oe1 n ASP 103 N -3.91 0.37 0.00 0.86 8.00 -0.85 -5.10 116.55 115.92 2oe1 n ASP 103 Ca -0.03 0.26 0.04 0.00 0.71 0.00 0.00 54.79 55.78 2oe1 n ASP 103 Cb 0.15 -0.26 0.24 0.00 -0.02 0.00 0.00 41.12 41.23 2oe1 n ASP 103 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99