#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oa5 n ASP 7 N 0.00 0.00 0.06 2.55 5.75 -1.26 -4.98 116.55 118.67 2oa5 n ASP 7 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 2oa5 n ASP 7 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2oa5 n ASP 7 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2oa5 n LYS 8 N 0.00 0.00 -1.92 0.11 2.85 -1.26 -5.10 118.16 112.84 2oa5 n LYS 8 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2oa5 n LYS 8 Cb 0.06 -0.44 0.07 0.00 -0.65 0.00 0.00 35.03 34.06 2oa5 n LYS 8 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2oa5 s THR 9 N -2.00 2.72 0.26 0.58 -4.23 -1.26 -4.97 115.64 106.75 2oa5 s THR 9 Ca 0.00 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2oa5 s THR 9 Cb 0.00 -3.23 0.15 0.00 1.34 0.00 0.00 72.50 70.77 2oa5 s THR 9 CO 0.00 -0.29 1.81 1.88 -0.54 0.00 0.00 174.62 177.48 2oa5 h TYR 10 N -0.84 0.93 0.07 3.99 -1.99 -1.96 -2.77 116.97 114.40 2oa5 h TYR 10 Ca -0.45 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.19 2oa5 h TYR 10 Cb 1.29 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 2oa5 h TYR 10 CO 0.40 0.77 -0.05 0.93 -0.00 0.00 0.00 178.16 180.21 2oa5 h GLU 11 N 0.87 -0.12 -0.09 4.88 5.08 -1.89 0.29 114.58 123.61 2oa5 h GLU 11 Ca 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2oa5 h GLU 11 Cb 0.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2oa5 h GLU 11 CO -0.00 -0.08 0.00 0.39 -1.00 0.00 0.00 179.01 178.32 2oa5 n GLU 12 N -5.16 0.12 0.00 2.33 1.02 -1.05 -1.13 120.64 116.78 2oa5 n GLU 12 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2oa5 n GLU 12 Cb 0.09 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2oa5 n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2oa5 n VAL 14 N 0.15 0.00 -0.28 2.62 0.31 0.09 -1.88 118.33 119.33 2oa5 n VAL 14 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2oa5 n VAL 14 Cb 0.02 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.11 2oa5 n VAL 14 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2oa5 h LYS 15 N 0.00 1.13 -0.27 5.55 3.64 -1.32 -0.21 116.57 125.09 2oa5 h LYS 15 Ca 0.00 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2oa5 h LYS 15 Cb 0.00 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2oa5 h LYS 15 CO 0.00 0.80 -0.51 1.49 -2.27 0.00 0.00 179.45 178.96 2oa5 h GLU 16 N 1.15 0.75 -0.57 1.90 4.57 -1.62 -1.42 114.58 119.34 2oa5 h GLU 16 Ca 0.30 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 2oa5 h GLU 16 Cb -0.03 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2oa5 h GLU 16 CO -0.05 1.08 0.13 0.28 -1.18 0.00 0.00 179.01 179.27 2oa5 h VAL 17 N 0.59 1.25 -0.72 0.32 2.07 -1.73 -0.86 116.25 117.16 2oa5 h VAL 17 Ca 0.02 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 2oa5 h VAL 17 Cb 1.09 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2oa5 h VAL 17 CO 0.11 0.33 0.22 -0.08 0.02 0.00 0.00 177.57 178.17 2oa5 h GLU 18 N 0.82 1.12 -0.31 1.57 4.81 -0.94 -0.60 114.58 121.05 2oa5 h GLU 18 Ca 0.18 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2oa5 h GLU 18 Cb 0.36 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2oa5 h GLU 18 CO 0.00 0.96 0.11 -0.09 -0.73 0.00 0.00 179.01 179.27 2oa5 h ARG 19 N 1.06 0.47 -0.77 1.92 2.43 -0.97 -1.36 114.38 117.16 2oa5 h ARG 19 Ca 0.23 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2oa5 h ARG 19 Cb 0.31 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2oa5 h ARG 19 CO -0.01 0.50 0.32 -0.07 -1.51 0.00 0.00 179.97 179.21 2oa5 h LEU 20 N 0.35 1.05 -0.88 3.80 3.38 -1.00 0.13 115.31 122.13 2oa5 h LEU 20 Ca 0.10 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2oa5 h LEU 20 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2oa5 h LEU 20 CO -0.01 0.93 -0.00 0.11 0.09 0.00 0.00 178.44 179.56 2oa5 h LYS 21 N 1.12 0.82 0.00 1.13 1.57 -0.92 0.26 116.57 120.56 2oa5 h LYS 21 Ca 0.26 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 2oa5 h LYS 21 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2oa5 h LYS 21 CO -0.02 0.83 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.76 2oa5 h LEU 22 N 0.77 0.13 -0.10 2.94 3.38 -0.85 -2.23 115.31 119.35 2oa5 h LEU 22 Ca 0.15 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 2oa5 h LEU 22 Cb 0.47 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2oa5 h LEU 22 CO 0.02 0.92 -0.92 -0.08 0.09 0.00 0.00 178.44 178.47 2oa5 h GLU 23 N 0.06 0.70 -0.19 1.13 4.81 -0.49 -2.83 114.58 117.76 2oa5 h GLU 23 Ca -0.03 -0.67 0.04 0.00 -0.13 0.00 0.00 59.36 58.57 2oa5 h GLU 23 Cb 1.48 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.99 2oa5 h GLU 23 CO 0.12 1.26 -0.05 -0.97 -0.73 0.00 0.00 179.01 178.64 2oa5 h ASN 24 N 0.43 -0.19 -0.84 1.04 -0.73 -0.43 0.09 115.58 114.95 2oa5 h ASN 24 Ca -0.09 0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.21 2oa5 h ASN 24 Cb 1.56 0.12 -0.06 0.00 0.27 0.00 0.00 38.32 40.20 2oa5 h ASN 24 CO 0.18 -0.07 0.51 0.50 -0.37 0.00 0.00 177.43 178.18 2oa5 h LYS 25 N -0.01 0.88 -0.53 6.67 3.64 -1.43 0.82 116.57 126.61 2oa5 h LYS 25 Ca 0.09 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2oa5 h LYS 25 Cb 0.15 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2oa5 h LYS 25 CO -0.20 0.58 0.02 1.15 -2.27 0.00 0.00 179.45 178.73 2oa5 h THR 26 N 0.91 1.25 -0.18 1.00 2.02 -1.11 -2.31 112.91 114.49 2oa5 h THR 26 Ca 0.38 -1.04 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 2oa5 h THR 26 Cb 0.23 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2oa5 h THR 26 CO -0.20 0.37 -0.25 -0.07 0.37 0.00 0.00 175.52 175.75 2oa5 h LEU 27 N 0.83 0.32 -0.47 2.58 3.38 0.35 -2.94 115.31 119.36 2oa5 h LEU 27 Ca 0.16 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 2oa5 h LEU 27 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2oa5 h LEU 27 CO 0.02 0.58 -0.46 0.11 0.09 0.00 0.00 178.44 178.78 2oa5 h LYS 28 N 0.29 0.76 0.00 1.13 1.57 -0.44 -2.75 116.57 117.13 2oa5 h LYS 28 Ca 0.05 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2oa5 h LYS 28 Cb 0.60 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2oa5 h LYS 28 CO 0.04 1.05 0.00 1.96 -0.57 0.00 0.00 179.45 181.94 2oa5 h GLN 29 N 0.61 0.00 0.00 3.15 4.20 -1.26 -2.55 115.11 119.26 2oa5 h GLN 29 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2oa5 h GLN 29 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2oa5 h GLN 29 CO 0.10 0.00 -0.37 1.63 -0.67 0.00 0.00 178.83 179.51 2oa5 n LYS 30 N -2.38 0.05 0.03 1.46 5.02 -1.04 -5.12 118.16 116.17 2oa5 n LYS 30 Ca 0.02 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 2oa5 n LYS 30 Cb 0.23 -1.53 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2oa5 n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2oa5 n VAL 31 N -1.61 1.26 -3.54 -0.18 0.24 -0.96 -5.12 118.33 108.43 2oa5 n VAL 31 Ca 0.06 0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 62.61 2oa5 n VAL 31 Cb 0.35 -1.69 -0.04 0.00 -1.47 0.00 0.00 33.84 30.99 2oa5 n VAL 31 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2oa5 s ASP 41 N -5.97 -0.41 0.01 -1.34 2.15 -1.26 -4.97 116.67 104.87 2oa5 s ASP 41 Ca -0.04 0.28 -0.01 0.00 0.43 0.00 0.00 52.55 53.21 2oa5 s ASP 41 Cb 0.01 0.37 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 2oa5 s ASP 41 CO 0.06 -0.50 0.00 -0.55 -0.17 0.00 0.00 175.17 174.01 2oa5 s SER 42 N -1.69 0.12 0.30 -0.34 0.15 -1.26 -5.13 113.70 105.86 2oa5 s SER 42 Ca -0.00 -0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.08 2oa5 s SER 42 Cb -0.01 0.08 -0.11 0.00 -1.71 0.00 0.00 66.02 64.28 2oa5 s SER 42 CO -0.02 -0.19 1.48 -0.63 1.20 0.00 0.00 173.24 175.09 2oa5 s ILE 43 N -0.88 2.34 -0.01 6.45 -1.09 -1.26 -4.93 121.20 121.82 2oa5 s ILE 43 Ca -0.10 0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 58.33 2oa5 s ILE 43 Cb -0.06 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 2oa5 s ILE 43 CO -0.00 0.06 1.31 -0.22 -1.23 0.00 0.00 174.94 174.85 2oa5 s LEU 44 N -0.99 4.31 0.70 2.97 2.96 -1.26 -5.03 118.68 122.34 2oa5 s LEU 44 Ca 0.58 1.99 -0.13 0.00 -0.22 0.00 0.00 54.13 56.35 2oa5 s LEU 44 Cb -0.44 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.70 2oa5 s LEU 44 CO 0.50 -0.65 1.08 -0.89 -1.32 0.00 0.00 176.35 175.08 2oa5 s THR 45 N 2.20 3.53 0.24 3.68 2.01 -1.26 -4.89 115.64 121.15 2oa5 s THR 45 Ca 0.60 0.59 0.09 0.00 0.31 0.00 0.00 61.69 63.28 2oa5 s THR 45 Cb -0.29 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 2oa5 s THR 45 CO 0.25 -0.56 1.55 0.00 -0.69 0.00 0.00 174.62 175.17 2oa5 h ALA 46 N -0.48 0.86 -0.29 7.40 0.00 -1.99 -1.64 119.26 123.13 2oa5 h ALA 46 Ca -0.45 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 2oa5 h ALA 46 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2oa5 h ALA 46 CO 0.54 0.82 -0.04 0.00 0.00 0.00 0.00 179.25 180.57 2oa5 h ALA 47 N 1.28 0.39 -0.24 0.00 0.00 -1.99 -1.81 119.26 116.89 2oa5 h ALA 47 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2oa5 h ALA 47 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2oa5 h ALA 47 CO 0.09 0.18 -0.36 -0.22 0.00 0.00 0.00 179.25 178.94 2oa5 h LYS 48 N 0.31 0.53 -0.31 0.00 3.64 -1.92 -0.41 116.57 118.41 2oa5 h LYS 48 Ca 0.08 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2oa5 h LYS 48 Cb 0.50 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2oa5 h LYS 48 CO 0.02 0.82 0.10 -0.09 -2.27 0.00 0.00 179.45 178.03 2oa5 h ARG 49 N 0.45 0.48 -0.87 1.90 2.43 -1.22 -0.95 114.38 116.59 2oa5 h ARG 49 Ca 0.05 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2oa5 h ARG 49 Cb 0.84 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 2oa5 h ARG 49 CO 0.07 0.52 0.51 1.49 -1.51 0.00 0.00 179.97 181.06 2oa5 h GLU 50 N 0.34 1.19 -0.50 0.20 4.57 -1.10 -0.13 114.58 119.14 2oa5 h GLU 50 Ca 0.10 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2oa5 h GLU 50 Cb 0.24 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2oa5 h GLU 50 CO -0.00 0.85 0.22 1.03 -1.18 0.00 0.00 179.01 179.92 2oa5 h SER 51 N 1.20 0.68 -0.33 1.04 0.87 -0.80 -1.01 113.55 115.20 2oa5 h SER 51 Ca 0.31 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 2oa5 h SER 51 Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2oa5 h SER 51 CO -0.06 0.64 -0.18 0.40 -0.53 0.00 0.00 176.83 177.11 2oa5 h ILE 52 N 0.67 1.29 -0.09 2.23 2.04 -0.90 -2.32 117.51 120.43 2oa5 h ILE 52 Ca 0.17 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2oa5 h ILE 52 Cb 0.16 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2oa5 h ILE 52 CO -0.02 0.42 0.06 0.40 0.00 0.00 0.00 178.15 179.01 2oa5 h ILE 53 N 0.47 1.04 -0.30 -0.67 2.04 -0.85 0.48 117.51 119.73 2oa5 h ILE 53 Ca 0.07 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2oa5 h ILE 53 Cb 0.71 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2oa5 h ILE 53 CO 0.05 0.04 -0.07 0.58 0.00 0.00 0.00 178.15 178.75 2oa5 h VAL 54 N 0.10 1.28 -0.33 1.67 2.07 -1.23 -1.12 116.25 118.69 2oa5 h VAL 54 Ca 0.03 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 2oa5 h VAL 54 Cb 0.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2oa5 h VAL 54 CO -0.01 0.35 -0.16 0.77 0.02 0.00 0.00 177.57 178.55 2oa5 h SER 55 N 0.35 0.71 -0.65 0.57 4.64 -1.38 -0.93 113.55 116.86 2oa5 h SER 55 Ca 0.08 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2oa5 h SER 55 Cb 0.55 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2oa5 h SER 55 CO 0.03 0.95 0.35 0.28 -0.87 0.00 0.00 176.83 177.57 2oa5 h SER 56 N 0.46 0.81 -0.72 4.97 0.02 -0.91 -1.33 113.55 116.85 2oa5 h SER 56 Ca 0.07 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2oa5 h SER 56 Cb 0.69 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2oa5 h SER 56 CO 0.05 0.68 0.28 0.28 -1.14 0.00 0.00 176.83 176.98 2oa5 h SER 57 N 0.88 1.01 -0.61 3.07 0.02 -1.07 -1.01 113.55 115.84 2oa5 h SER 57 Ca 0.23 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2oa5 h SER 57 Cb 0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2oa5 h SER 57 CO -0.04 0.90 0.05 0.03 -1.14 0.00 0.00 176.83 176.64 2oa5 h ARG 58 N 1.07 1.06 -0.05 3.45 3.08 -0.64 0.50 114.38 122.84 2oa5 h ARG 58 Ca 0.25 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2oa5 h ARG 58 Cb 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2oa5 h ARG 58 CO -0.02 1.00 0.02 0.00 -1.07 0.00 0.00 179.97 179.90 2oa5 h ALA 59 N 1.06 0.06 -0.46 0.04 0.00 -0.87 -0.03 119.26 119.06 2oa5 h ALA 59 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2oa5 h ALA 59 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2oa5 h ALA 59 CO 0.02 -0.37 0.30 -0.07 0.00 0.00 0.00 179.25 179.13 2oa5 h LEU 60 N -0.07 0.50 -2.02 0.00 3.38 -0.97 -1.31 115.31 114.83 2oa5 h LEU 60 Ca 0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2oa5 h LEU 60 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2oa5 h LEU 60 CO -0.00 0.36 0.15 1.23 0.09 0.00 0.00 178.44 180.27 2oa5 h GLY 61 N 0.60 0.00 1.06 0.83 0.00 0.31 -0.50 103.07 105.37 2oa5 h GLY 61 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 2oa5 h GLY 61 CO -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.06 2oa5 h ALA 62 N 1.90 0.44 -0.44 3.60 0.00 0.14 -3.08 119.26 121.81 2oa5 h ALA 62 Ca 0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2oa5 h ALA 62 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2oa5 h ALA 62 CO -0.00 0.57 0.16 0.28 0.00 0.00 0.00 179.25 180.25 2oa5 h VAL 63 N 0.55 1.21 0.00 0.00 2.07 -0.68 -2.47 116.25 116.93 2oa5 h VAL 63 Ca 0.03 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2oa5 h VAL 63 Cb 1.03 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2oa5 h VAL 63 CO 0.10 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.93 2oa5 n ALA 64 N -2.33 1.43 0.00 1.67 0.00 -0.32 -1.63 120.51 119.34 2oa5 n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2oa5 n ALA 64 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2oa5 n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2oa5 n ARG 66 N 0.89 0.00 -0.12 0.00 1.85 -0.93 -0.16 116.66 118.19 2oa5 n ARG 66 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2oa5 n ARG 66 Cb 0.01 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.40 2oa5 n ARG 66 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2oa5 h LYS 67 N 0.00 0.74 -0.29 2.89 1.57 -1.58 -2.44 116.57 117.46 2oa5 h LYS 67 Ca 0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2oa5 h LYS 67 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2oa5 h LYS 67 CO 0.00 0.94 0.15 0.82 -0.57 0.00 0.00 179.45 180.79 2oa5 h ILE 68 N 0.52 1.14 -0.86 1.86 2.04 -0.81 -1.56 117.51 119.84 2oa5 h ILE 68 Ca 0.08 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2oa5 h ILE 68 Cb 0.72 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2oa5 h ILE 68 CO 0.05 0.15 0.49 -0.08 0.00 0.00 0.00 178.15 178.76 2oa5 h GLU 69 N 0.34 1.19 -0.13 2.37 4.81 -1.79 -0.14 114.58 121.24 2oa5 h GLU 69 Ca 0.10 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2oa5 h GLU 69 Cb 0.10 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2oa5 h GLU 69 CO -0.01 0.86 0.08 0.00 -0.73 0.00 0.00 179.01 179.20 2oa5 h ALA 70 N 1.27 0.16 -0.23 2.92 0.00 -1.14 -2.02 119.26 120.22 2oa5 h ALA 70 Ca 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2oa5 h ALA 70 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2oa5 h ALA 70 CO -0.05 -0.36 0.08 0.87 0.00 0.00 0.00 179.25 179.79 2oa5 h LYS 71 N 0.16 0.35 -0.26 0.00 1.57 -1.01 -2.09 116.57 115.28 2oa5 h LYS 71 Ca 0.05 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2oa5 h LYS 71 Cb -0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 2oa5 h LYS 71 CO -0.02 0.42 -0.03 0.28 -0.57 0.00 0.00 179.45 179.52 2oa5 h VAL 72 N 0.21 0.78 -0.53 0.50 2.07 -0.97 -0.42 116.25 117.89 2oa5 h VAL 72 Ca 0.07 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2oa5 h VAL 72 Cb 0.21 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2oa5 h VAL 72 CO -0.00 0.01 0.27 0.03 0.02 0.00 0.00 177.57 177.89 2oa5 h ARG 73 N 0.04 0.50 0.39 1.57 3.08 -1.29 0.17 114.38 118.83 2oa5 h ARG 73 Ca 0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2oa5 h ARG 73 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2oa5 h ARG 73 CO -0.24 0.33 -0.19 1.03 -1.07 0.00 0.00 179.97 179.83 2oa5 h SER 74 N 0.51 -0.44 0.13 7.04 0.87 -0.86 -1.86 113.55 118.94 2oa5 h SER 74 Ca 0.23 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2oa5 h SER 74 Cb 0.15 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2oa5 h SER 74 CO -0.17 -0.29 -0.15 0.03 -0.53 0.00 0.00 176.83 175.72 2oa5 h ARG 75 N -0.55 0.06 0.00 2.24 3.08 -0.80 -2.08 114.38 116.32 2oa5 h ARG 75 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2oa5 h ARG 75 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2oa5 h ARG 75 CO 0.09 0.21 -0.04 0.00 -1.07 0.00 0.00 179.97 179.16 2oa5 n ALA 76 N -2.50 2.33 -0.32 0.04 0.00 0.56 -4.24 120.51 116.37 2oa5 n ALA 76 Ca -0.02 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.56 2oa5 n ALA 76 Cb 0.24 -1.45 0.37 0.00 0.00 0.00 0.00 19.45 18.60 2oa5 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oa5 h ALA 77 N 2.59 1.49 0.00 0.00 0.00 -0.60 0.26 119.26 123.00 2oa5 h ALA 77 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2oa5 h ALA 77 Cb 0.71 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2oa5 h ALA 77 CO 0.00 -0.62 0.00 1.57 0.00 0.00 0.00 179.25 180.20 2oa5 h LYS 78 N 0.11 0.00 -6.63 0.00 2.10 -1.80 -3.44 116.57 106.90 2oa5 h LYS 78 Ca 0.65 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.77 2oa5 h LYS 78 Cb 1.44 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.79 2oa5 h LYS 78 CO -0.76 0.00 0.59 0.00 -2.00 0.00 0.00 179.45 177.28 2oa5 s ALA 79 N -3.47 3.46 -0.06 0.07 0.00 0.08 -4.92 121.76 116.92 2oa5 s ALA 79 Ca 0.03 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.01 2oa5 s ALA 79 Cb 0.09 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 2oa5 s ALA 79 CO 0.46 -0.44 -0.02 0.28 0.00 0.00 0.00 175.76 176.04 2oa5 n VAL 80 N 2.85 0.40 -3.61 0.00 0.31 -1.26 -4.91 118.33 112.10 2oa5 n VAL 80 Ca 0.06 -0.20 -0.20 0.00 -0.01 0.00 0.00 64.34 63.99 2oa5 n VAL 80 Cb 0.44 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.55 2oa5 n VAL 80 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2oa5 s THR 81 N -2.14 3.89 0.04 2.52 -4.23 -1.26 -4.98 115.64 109.48 2oa5 s THR 81 Ca -0.06 -1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 2oa5 s THR 81 Cb 0.02 -3.33 -0.17 0.00 1.34 0.00 0.00 72.50 70.36 2oa5 s THR 81 CO 0.20 -0.17 1.51 -0.33 -0.54 0.00 0.00 174.62 175.29 2oa5 h GLU 82 N 1.04 -0.17 -0.52 3.99 5.08 -1.98 0.12 114.58 122.13 2oa5 h GLU 82 Ca -0.45 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2oa5 h GLU 82 Cb 1.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2oa5 h GLU 82 CO 0.55 0.05 0.35 1.96 -1.00 0.00 0.00 179.01 180.92 2oa5 h GLN 83 N -0.36 0.64 -0.16 2.33 1.08 -1.98 0.34 115.11 116.99 2oa5 h GLN 83 Ca -0.02 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2oa5 h GLN 83 Cb 0.29 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2oa5 h GLN 83 CO 0.03 0.42 -0.00 0.93 -0.95 0.00 0.00 178.83 179.26 2oa5 h GLU 84 N 0.66 0.29 -0.02 1.46 5.08 -1.85 -1.29 114.58 118.91 2oa5 h GLU 84 Ca 0.20 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2oa5 h GLU 84 Cb -0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2oa5 h GLU 84 CO -0.05 0.52 -0.00 1.25 -1.00 0.00 0.00 179.01 179.73 2oa5 h LEU 85 N 0.04 0.04 -0.54 1.33 5.85 -0.12 -2.36 115.31 119.54 2oa5 h LEU 85 Ca 0.05 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2oa5 h LEU 85 Cb 0.39 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 2oa5 h LEU 85 CO 0.01 0.38 0.09 0.74 -0.34 0.00 0.00 178.44 179.32 2oa5 h THR 86 N -0.31 0.66 -0.13 1.05 2.02 -0.38 -0.83 112.91 114.99 2oa5 h THR 86 Ca 0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2oa5 h THR 86 Cb 0.37 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2oa5 h THR 86 CO 0.00 0.04 0.03 -1.28 0.37 0.00 0.00 175.52 174.68 2oa5 h SER 87 N 0.21 0.20 -0.63 4.18 0.87 -1.23 -2.56 113.55 114.59 2oa5 h SER 87 Ca 0.28 -0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2oa5 h SER 87 Cb 0.40 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 2oa5 h SER 87 CO -0.38 0.39 0.34 0.25 -0.53 0.00 0.00 176.83 176.90 2oa5 h LEU 88 N 0.00 0.51 0.19 2.23 6.46 -0.98 -2.05 115.31 121.67 2oa5 h LEU 88 Ca 0.04 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2oa5 h LEU 88 Cb 0.27 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2oa5 h LEU 88 CO 0.00 0.33 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.99 2oa5 h LEU 89 N 0.64 -0.22 -2.53 2.25 3.38 -1.11 -2.64 115.31 115.08 2oa5 h LEU 89 Ca 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2oa5 h LEU 89 Cb 0.18 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2oa5 h LEU 89 CO -0.18 -0.12 -0.01 1.56 0.09 0.00 0.00 178.44 179.77 2oa5 h GLN 90 N -0.30 0.00 -0.01 1.13 7.50 -1.22 0.18 115.11 122.39 2oa5 h GLN 90 Ca -0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.12 2oa5 h GLN 90 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.76 2oa5 h GLN 90 CO 0.04 0.01 -0.14 -1.13 -1.50 0.00 0.00 178.83 176.12 2oa5 n SER 91 N -3.60 0.72 -4.79 1.46 3.41 -0.79 -4.92 113.62 105.10 2oa5 n SER 91 Ca -0.03 -0.77 -0.37 0.00 -0.26 0.00 0.00 58.87 57.44 2oa5 n SER 91 Cb 0.10 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 2oa5 n SER 91 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2oa5 s LEU 92 N -2.42 4.35 -0.07 1.04 1.43 0.05 -5.06 118.68 118.01 2oa5 s LEU 92 Ca 0.29 1.74 -0.03 0.00 -1.03 0.00 0.00 54.13 55.10 2oa5 s LEU 92 Cb 0.20 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2oa5 s LEU 92 CO 0.47 -0.03 0.11 -0.89 0.23 0.00 0.00 176.35 176.24 2oa5 s THR 93 N -1.57 -0.19 -0.07 5.49 2.01 -1.26 -5.07 115.64 114.97 2oa5 s THR 93 Ca 0.48 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.87 2oa5 s THR 93 Cb -0.18 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 2oa5 s THR 93 CO 0.23 0.15 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.42 2oa5 s LEU 94 N 2.23 2.78 -0.32 4.42 1.43 -1.26 -5.09 118.68 122.88 2oa5 s LEU 94 Ca 0.04 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2oa5 s LEU 94 Cb -0.12 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2oa5 s LEU 94 CO -0.05 0.30 0.18 -0.60 0.23 0.00 0.00 176.35 176.41 2oa5 s ARG 95 N -0.46 3.43 -0.09 1.70 3.52 -1.26 -5.07 118.95 120.71 2oa5 s ARG 95 Ca 0.06 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2oa5 s ARG 95 Cb -0.12 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2oa5 s ARG 95 CO 0.02 -0.40 -0.20 0.08 -0.81 0.00 0.00 175.30 173.99 2oa5 s VAL 96 N 1.65 2.50 -0.17 7.11 1.01 -1.26 -5.11 120.40 126.14 2oa5 s VAL 96 Ca 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 2oa5 s VAL 96 Cb -0.17 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2oa5 s VAL 96 CO 0.08 0.55 -0.00 -1.81 0.00 0.00 0.00 175.10 173.92 2oa5 s ASP 97 N 0.11 5.10 -0.00 3.32 1.01 -1.26 -5.10 116.67 119.84 2oa5 s ASP 97 Ca -0.09 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.13 2oa5 s ASP 97 Cb -0.15 -1.85 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 2oa5 s ASP 97 CO 0.06 0.17 -0.06 0.68 0.21 0.00 0.00 175.17 176.23 2oa5 s VAL 98 N 0.36 0.49 0.00 -1.27 -7.23 -1.26 -4.92 120.40 106.57 2oa5 s VAL 98 Ca -0.02 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2oa5 s VAL 98 Cb -0.13 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.39 2oa5 s VAL 98 CO 0.02 0.14 0.00 -1.54 -0.31 0.00 0.00 175.10 173.41 2oa5 n SER 99 N 2.92 0.26 0.00 4.85 3.41 -1.26 -5.07 113.62 118.73 2oa5 n SER 99 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2oa5 n SER 99 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2oa5 n SER 99 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2oa5 n GLU 101 N 0.00 0.00 0.00 4.33 0.28 -1.26 -3.86 120.64 120.13 2oa5 n GLU 101 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 2oa5 n GLU 101 Cb 0.00 -0.04 0.40 0.00 1.43 0.00 0.00 31.44 33.22 2oa5 n GLU 101 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2oa5 n GLU 102 N 0.04 0.42 -1.71 3.44 1.02 -1.26 -4.91 120.64 117.69 2oa5 n GLU 102 Ca 0.00 -0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 56.49 2oa5 n GLU 102 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2oa5 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2oa5 n LEU 103 N -1.10 3.70 -4.74 -4.62 4.77 -1.25 -4.93 117.00 108.82 2oa5 n LEU 103 Ca 0.10 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.81 2oa5 n LEU 103 Cb 0.33 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.86 2oa5 n LEU 103 CO 0.29 -0.14 0.37 -1.61 -1.33 0.00 0.00 177.39 174.97 2oa5 s GLU 104 N -0.11 4.41 0.20 3.23 2.02 -1.26 -4.96 118.70 122.22 2oa5 s GLU 104 Ca 0.69 0.86 -0.10 0.00 0.02 0.00 0.00 54.97 56.43 2oa5 s GLU 104 Cb -0.58 -3.39 0.13 0.00 0.10 0.00 0.00 34.13 30.40 2oa5 s GLU 104 CO 0.46 0.22 1.80 1.25 0.02 0.00 0.00 175.26 179.01 2oa5 h HIS 105 N 6.12 1.04 0.00 1.61 -0.00 -1.92 -3.27 115.15 118.73 2oa5 h HIS 105 Ca -0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2oa5 h HIS 105 Cb 1.20 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2oa5 h HIS 105 CO 0.65 0.76 0.00 1.58 -0.00 0.00 0.00 177.93 180.92