#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9o s ILE 3 N 0.00 4.32 0.42 4.25 -5.25 -1.26 -5.03 121.20 118.66 2b9o s ILE 3 Ca 0.00 1.63 -0.18 0.00 -0.99 0.00 0.00 60.65 61.11 2b9o s ILE 3 Cb 0.00 -4.05 -0.10 0.00 2.95 0.00 0.00 42.46 41.26 2b9o s ILE 3 CO 0.00 -0.04 0.90 -0.89 -1.79 0.00 0.00 174.94 173.13 2b9o s THR 4 N 2.50 4.50 0.20 8.37 2.01 -1.26 -4.97 115.64 126.99 2b9o s THR 4 Ca 0.54 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.76 2b9o s THR 4 Cb -0.23 -3.63 0.09 0.00 0.01 0.00 0.00 72.50 68.74 2b9o s THR 4 CO 0.19 -0.37 1.69 0.11 -0.69 0.00 0.00 174.62 175.55 2b9o h LYS 5 N 1.76 1.03 0.00 4.92 1.57 -2.00 -1.72 116.57 122.13 2b9o h LYS 5 Ca -0.48 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 57.96 2b9o h LYS 5 Cb 1.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2b9o h LYS 5 CO 0.62 0.98 -0.21 1.05 -0.57 0.00 0.00 179.45 181.32 2b9o h GLU 6 N 0.95 0.00 -0.38 3.15 9.09 -2.00 -2.76 114.58 122.63 2b9o h GLU 6 Ca 0.18 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.46 2b9o h GLU 6 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 2b9o h GLU 6 CO 0.02 0.21 -0.25 0.93 0.05 0.00 0.00 179.01 179.98 2b9o h GLU 7 N 0.00 0.84 -0.91 1.06 5.08 -1.88 -2.43 114.58 116.34 2b9o h GLU 7 Ca -0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2b9o h GLU 7 Cb 0.94 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2b9o h GLU 7 CO 0.03 1.03 0.57 -0.22 -1.00 0.00 0.00 179.01 179.41 2b9o h LYS 8 N 0.64 1.23 -0.20 2.33 3.64 -1.14 -2.47 116.57 120.61 2b9o h LYS 8 Ca 0.08 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 2b9o h LYS 8 Cb 0.81 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2b9o h LYS 8 CO 0.07 0.85 -0.65 1.96 -2.27 0.00 0.00 179.45 179.41 2b9o h GLN 9 N 1.25 0.72 0.00 1.90 1.08 -1.48 -1.43 115.11 117.15 2b9o h GLN 9 Ca 0.33 -0.51 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2b9o h GLN 9 Cb -0.08 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2b9o h GLN 9 CO -0.06 1.13 -0.13 1.57 -0.95 0.00 0.00 178.83 180.39 2b9o h LYS 10 N 0.53 0.00 0.12 1.46 5.09 -1.29 0.21 116.57 122.69 2b9o h LYS 10 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.52 2b9o h LYS 10 Cb 1.24 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.60 2b9o h LYS 10 CO 0.13 0.13 -0.87 0.28 -2.09 0.00 0.00 179.45 177.03 2b9o h VAL 11 N 0.00 1.45 -0.72 0.07 2.07 -1.28 -2.45 116.25 115.38 2b9o h VAL 11 Ca -0.00 -2.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 2b9o h VAL 11 Cb 0.38 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 2b9o h VAL 11 CO 0.02 0.70 0.22 0.40 0.02 0.00 0.00 177.57 178.93 2b9o h ILE 12 N -0.19 1.26 -0.42 4.57 2.04 -0.79 -2.39 117.51 121.59 2b9o h ILE 12 Ca -0.14 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 2b9o h ILE 12 Cb 1.65 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2b9o h ILE 12 CO 0.17 0.35 -0.11 1.56 0.00 0.00 0.00 178.15 180.11 2b9o h GLN 13 N 1.07 0.75 -0.40 2.37 1.08 -0.69 -2.64 115.11 116.64 2b9o h GLN 13 Ca 0.23 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2b9o h GLN 13 Cb 0.30 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2b9o h GLN 13 CO -0.01 0.83 0.14 1.49 -0.95 0.00 0.00 178.83 180.34 2b9o h GLU 14 N 0.68 0.61 0.00 1.46 4.57 -1.09 -3.30 114.58 117.51 2b9o h GLU 14 Ca 0.12 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2b9o h GLU 14 Cb 0.58 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2b9o h GLU 14 CO 0.04 0.59 -1.11 1.19 -1.18 0.00 0.00 179.01 178.54 2b9o n PHE 15 N -4.62 0.89 -1.83 0.92 3.01 -0.93 -4.91 117.46 109.99 2b9o n PHE 15 Ca -0.00 0.26 -0.42 0.00 1.01 0.00 0.00 57.45 58.30 2b9o n PHE 15 Cb 0.16 -0.93 -0.02 0.00 -0.01 0.00 0.00 39.48 38.68 2b9o n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2b9o s ALA 16 N -3.36 3.77 0.05 4.37 0.00 -1.00 -4.84 121.76 120.75 2b9o s ALA 16 Ca -0.01 1.50 0.09 0.00 0.00 0.00 0.00 51.96 53.54 2b9o s ALA 16 Cb 0.10 -3.64 -0.21 0.00 0.00 0.00 0.00 23.12 19.37 2b9o s ALA 16 CO 0.80 -0.90 1.03 0.00 0.00 0.00 0.00 175.76 176.70 2b9o h ARG 17 N 5.55 0.00 -4.79 0.00 3.08 -1.91 -3.46 114.38 112.85 2b9o h ARG 17 Ca -0.45 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.05 2b9o h ARG 17 Cb 1.21 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.93 2b9o h ARG 17 CO 0.84 0.78 -0.83 -0.59 -1.07 0.00 0.00 179.97 179.10 2b9o s PHE 18 N -2.67 1.66 -0.53 3.04 -0.12 -1.26 -5.08 117.98 113.01 2b9o s PHE 18 Ca -0.01 -0.60 -0.27 0.00 -0.05 0.00 0.00 56.93 56.00 2b9o s PHE 18 Cb 0.09 -1.17 -0.09 0.00 -0.63 0.00 0.00 43.02 41.22 2b9o s PHE 18 CO 0.82 -0.28 2.44 -2.30 -0.05 0.00 0.00 175.22 175.85 2b9o n PRO 19 N 3.65 0.97 0.00 1.99 -0.02 -1.26 -1.34 135.00 138.99 2b9o n PRO 19 Ca -0.21 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2b9o n PRO 19 Cb 0.52 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 2b9o n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b9o n GLY 20 N 6.06 0.04 3.44 -1.23 0.00 -1.26 -5.06 105.19 107.17 2b9o n GLY 20 Ca 0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 2b9o n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b9o n ASP 21 N 0.00 3.92 0.14 1.61 4.64 -0.45 -4.66 116.55 121.75 2b9o n ASP 21 Ca 0.00 -2.81 0.06 0.00 -1.38 0.00 0.00 54.79 50.66 2b9o n ASP 21 Cb 0.00 -1.67 0.04 0.00 -1.04 0.00 0.00 41.12 38.45 2b9o n ASP 21 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2b9o h THR 22 N 5.49 0.43 -2.16 5.18 1.35 -1.93 -3.44 112.91 117.83 2b9o h THR 22 Ca 0.38 -1.66 -0.20 0.00 -0.55 0.00 0.00 66.41 64.38 2b9o h THR 22 Cb 0.85 2.10 -0.32 0.00 -1.73 0.00 0.00 68.15 69.05 2b9o h THR 22 CO 1.48 0.25 -0.52 -0.83 -0.25 0.00 0.00 175.52 175.64 2b9o s GLY 23 N -4.43 -0.27 0.17 5.82 0.00 -1.26 -4.99 107.32 102.35 2b9o s GLY 23 Ca 0.03 0.76 -0.24 0.00 0.00 0.00 0.00 44.72 45.27 2b9o s GLY 23 CO 0.74 2.47 0.85 -0.45 0.00 0.00 0.00 173.10 176.70 2b9o s SER 24 N 2.48 -0.26 0.35 1.64 0.15 -1.26 -5.00 113.70 111.80 2b9o s SER 24 Ca 0.10 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 56.51 2b9o s SER 24 Cb -0.15 0.56 1.13 0.00 -1.71 0.00 0.00 66.02 65.85 2b9o s SER 24 CO -0.14 -1.01 1.59 0.74 1.20 0.00 0.00 173.24 175.62 2b9o h THR 25 N 2.00 0.06 -0.41 6.45 2.02 -1.99 0.50 112.91 121.54 2b9o h THR 25 Ca -0.23 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2b9o h THR 25 Cb 1.24 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2b9o h THR 25 CO 0.26 0.01 0.09 -0.33 0.37 0.00 0.00 175.52 175.92 2b9o h GLU 26 N 0.05 0.61 0.10 6.66 4.39 -1.96 -2.86 114.58 121.57 2b9o h GLU 26 Ca 0.76 -0.11 -0.22 0.00 0.34 0.00 0.00 59.36 60.13 2b9o h GLU 26 Cb 1.86 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2b9o h GLU 26 CO -0.78 0.57 -1.11 0.28 -1.16 0.00 0.00 179.01 176.80 2b9o h VAL 27 N 0.60 1.20 0.36 3.13 2.07 -0.44 -3.19 116.25 119.98 2b9o h VAL 27 Ca 0.14 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 2b9o h VAL 27 Cb 0.25 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 2b9o h VAL 27 CO -0.00 0.65 -0.48 1.56 0.02 0.00 0.00 177.57 179.32 2b9o h GLN 28 N -0.47 -0.83 -0.51 1.57 1.08 -0.93 0.25 115.11 115.27 2b9o h GLN 28 Ca -0.24 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.07 2b9o h GLN 28 Cb 1.60 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 29.17 2b9o h GLN 28 CO 0.04 -0.56 0.24 0.28 -0.95 0.00 0.00 178.83 177.89 2b9o h VAL 29 N -0.86 0.92 -0.84 -0.54 2.07 -1.70 0.30 116.25 115.59 2b9o h VAL 29 Ca -0.04 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2b9o h VAL 29 Cb 0.78 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2b9o h VAL 29 CO -0.12 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.06 2b9o h ALA 30 N 1.29 1.16 0.23 1.67 0.00 -1.47 0.42 119.26 122.56 2b9o h ALA 30 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2b9o h ALA 30 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2b9o h ALA 30 CO -0.18 0.21 -0.11 -0.07 0.00 0.00 0.00 179.25 179.10 2b9o h LEU 31 N 0.90 -0.26 -0.66 0.00 4.07 0.46 -2.31 115.31 117.52 2b9o h LEU 31 Ca 0.38 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 2b9o h LEU 31 Cb 0.23 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 2b9o h LEU 31 CO -0.19 0.05 0.13 -0.07 -1.08 0.00 0.00 178.44 177.28 2b9o h LEU 32 N -0.58 1.02 -0.39 1.67 3.38 -0.08 0.21 115.31 120.53 2b9o h LEU 32 Ca -0.03 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2b9o h LEU 32 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2b9o h LEU 32 CO 0.05 1.00 -0.04 0.74 0.09 0.00 0.00 178.44 180.29 2b9o h THR 33 N 0.99 1.27 -0.46 0.22 2.02 -0.27 0.98 112.91 117.65 2b9o h THR 33 Ca 0.20 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2b9o h THR 33 Cb 0.40 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2b9o h THR 33 CO 0.01 0.36 0.29 0.25 0.37 0.00 0.00 175.52 176.80 2b9o h LEU 34 N 0.54 0.55 -2.06 2.58 6.46 -1.16 -1.85 115.31 120.37 2b9o h LEU 34 Ca 0.11 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2b9o h LEU 34 Cb 0.53 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2b9o h LEU 34 CO 0.03 0.43 0.00 0.03 -0.62 0.00 0.00 178.44 178.31 2b9o h ARG 35 N 0.62 0.00 0.00 1.25 3.08 -0.39 -2.62 114.38 116.33 2b9o h ARG 35 Ca 0.17 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.00 2b9o h ARG 35 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2b9o h ARG 35 CO -0.03 0.00 -1.10 0.97 -1.07 0.00 0.00 179.97 178.74 2b9o h ILE 36 N 0.00 1.54 0.00 2.04 2.10 -0.01 -3.19 117.51 119.98 2b9o h ILE 36 Ca 0.00 -3.25 0.00 0.00 1.08 0.00 0.00 64.86 62.69 2b9o h ILE 36 Cb 0.29 2.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.78 2b9o h ILE 36 CO 0.00 0.87 -0.81 0.78 -1.08 0.00 0.00 178.15 177.91 2b9o h ASN 37 N 0.00 0.00 -0.20 2.19 -0.26 -1.01 -2.71 115.58 113.59 2b9o h ASN 37 Ca -0.06 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 2b9o h ASN 37 Cb 1.79 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.05 2b9o h ASN 37 CO 0.12 0.05 0.00 -2.11 -1.06 0.00 0.00 177.43 174.43 2b9o n ARG 38 N -2.46 2.60 -0.07 0.81 0.00 -1.17 -3.51 116.66 112.85 2b9o n ARG 38 Ca 0.01 -2.46 -0.11 0.00 -0.00 0.00 0.00 57.85 55.30 2b9o n ARG 38 Cb 0.50 -1.55 -0.06 0.00 -0.00 0.00 0.00 32.46 31.35 2b9o n ARG 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2b9o n LEU 39 N -0.46 2.62 -0.14 2.89 0.00 -1.20 -4.19 117.00 116.52 2b9o n LEU 39 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 56.01 56.03 2b9o n LEU 39 Cb 0.67 -0.46 0.02 0.00 0.00 0.00 0.00 43.42 43.64 2b9o n LEU 39 CO 0.09 0.65 0.66 0.28 0.00 0.00 0.00 177.39 179.07 2b9o h SER 40 N -0.10 0.96 -0.82 1.96 0.02 -1.70 -2.22 113.55 111.66 2b9o h SER 40 Ca -0.31 -0.37 0.09 0.00 -0.84 0.00 0.00 61.79 60.36 2b9o h SER 40 Cb 1.44 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2b9o h SER 40 CO -0.08 1.15 0.53 -0.08 -1.14 0.00 0.00 176.83 177.21 2b9o h GLU 41 N 0.80 0.75 0.00 3.45 4.57 -1.80 -1.79 114.58 120.57 2b9o h GLU 41 Ca 0.10 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2b9o h GLU 41 Cb 0.81 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2b9o h GLU 41 CO 0.07 0.50 -0.33 1.25 -1.18 0.00 0.00 179.01 179.31 2b9o h HIS 42 N 0.77 0.00 0.00 0.92 2.76 -1.64 -3.29 115.15 114.67 2b9o h HIS 42 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2b9o h HIS 42 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2b9o h HIS 42 CO -0.00 0.33 -0.72 -0.07 -1.30 0.00 0.00 177.93 176.18 2b9o h LEU 43 N 0.00 0.00 -0.01 0.26 3.38 -0.73 -3.37 115.31 114.84 2b9o h LEU 43 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2b9o h LEU 43 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2b9o h LEU 43 CO 0.04 0.00 -0.00 0.11 0.09 0.00 0.00 178.44 178.69 2b9o h LYS 44 N 0.00 0.02 -6.68 1.13 1.57 -1.57 -3.25 116.57 107.79 2b9o h LYS 44 Ca 0.00 -0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2b9o h LYS 44 Cb 0.99 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2b9o h LYS 44 CO 0.00 0.32 0.08 0.08 -0.57 0.00 0.00 179.45 179.37 2b9o s VAL 45 N -4.96 4.68 -0.06 0.50 1.01 -1.26 -4.25 120.40 116.07 2b9o s VAL 45 Ca -0.15 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 2b9o s VAL 45 Cb 0.03 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2b9o s VAL 45 CO 0.67 -0.12 0.05 1.57 0.00 0.00 0.00 175.10 177.27 2b9o n HIS 46 N -0.19 -0.12 -0.39 5.22 -0.00 -1.26 -4.74 115.22 113.74 2b9o n HIS 46 Ca 0.02 0.04 0.34 0.00 -0.00 0.00 0.00 57.72 58.13 2b9o n HIS 46 Cb 0.53 -1.18 0.61 0.00 -0.00 0.00 0.00 29.99 29.95 2b9o n HIS 46 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2b9o h LYS 47 N -0.11 0.08 -2.15 1.57 1.57 -1.73 -2.51 116.57 113.28 2b9o h LYS 47 Ca -0.03 -0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.02 2b9o h LYS 47 Cb 1.02 -0.02 -0.32 0.00 0.08 0.00 0.00 32.23 32.99 2b9o h LYS 47 CO 0.03 0.05 0.50 1.63 -0.57 0.00 0.00 179.45 181.08 2b9o n LYS 48 N -4.94 4.29 -2.77 3.15 5.02 -1.26 -4.79 118.16 116.86 2b9o n LYS 48 Ca 0.37 -4.50 -0.37 0.00 -2.02 0.00 0.00 58.31 51.79 2b9o n LYS 48 Cb 1.35 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2b9o n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2b9o n ASP 49 N -0.22 6.49 0.18 4.39 -0.08 -0.95 -4.88 116.55 121.48 2b9o n ASP 49 Ca 0.44 -3.66 0.13 0.00 -1.51 0.00 0.00 54.79 50.19 2b9o n ASP 49 Cb 0.32 -1.02 0.62 0.00 2.34 0.00 0.00 41.12 43.38 2b9o n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2b9o h HIS 50 N 4.02 0.00 0.10 -0.67 3.86 -1.90 -1.03 115.15 119.52 2b9o h HIS 50 Ca 0.40 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.34 2b9o h HIS 50 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2b9o h HIS 50 CO 1.17 0.00 -1.28 0.45 0.86 0.00 0.00 177.93 179.14 2b9o h HIS 51 N 0.00 0.38 0.00 2.45 3.86 -2.00 -2.97 115.15 116.87 2b9o h HIS 51 Ca 0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2b9o h HIS 51 Cb 0.24 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2b9o h HIS 51 CO 0.00 1.24 -1.00 0.43 0.86 0.00 0.00 177.93 179.46 2b9o n SER 52 N -3.47 0.67 -0.03 2.45 7.64 -0.68 -2.98 113.62 117.22 2b9o n SER 52 Ca -0.09 0.07 -0.16 0.00 1.01 0.00 0.00 58.87 59.70 2b9o n SER 52 Cb 1.01 0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 64.75 2b9o n SER 52 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2b9o h HIS 53 N 0.00 0.63 -0.52 1.43 6.17 -1.33 -2.16 115.15 119.36 2b9o h HIS 53 Ca 0.00 -0.27 -0.07 0.00 0.71 0.00 0.00 60.37 60.74 2b9o h HIS 53 Cb 0.85 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.66 2b9o h HIS 53 CO 0.00 1.04 0.04 -0.09 0.71 0.00 0.00 177.93 179.62 2b9o h ARG 54 N 0.04 0.85 0.00 5.26 1.12 -1.63 -1.38 114.38 118.64 2b9o h ARG 54 Ca -0.03 -0.22 -0.05 0.00 -1.11 0.00 0.00 59.98 58.57 2b9o h ARG 54 Cb 1.09 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 2b9o h ARG 54 CO 0.09 0.83 -0.23 0.78 -3.11 0.00 0.00 179.97 178.33 2b9o h GLY 55 N 0.99 0.00 0.50 2.80 0.00 -1.58 -2.67 103.07 103.11 2b9o h GLY 55 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2b9o h GLY 55 CO 0.02 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.54 2b9o h LEU 56 N 0.00 0.03 -1.76 3.11 5.85 -0.96 -3.24 115.31 118.35 2b9o h LEU 56 Ca -0.00 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2b9o h LEU 56 Cb 0.71 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2b9o h LEU 56 CO 0.03 0.54 0.11 -0.07 -0.34 0.00 0.00 178.44 178.71 2b9o h LEU 57 N -0.48 0.23 -0.19 2.25 4.07 -1.01 0.41 115.31 120.59 2b9o h LEU 57 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2b9o h LEU 57 Cb 0.54 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2b9o h LEU 57 CO 0.00 0.19 0.12 0.24 -1.08 0.00 0.00 178.44 177.91 2b9o h MET 58 N 0.27 0.26 -0.10 1.13 2.86 -1.60 -1.79 114.93 115.97 2b9o h MET 58 Ca 0.07 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 2b9o h MET 58 Cb 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2b9o h MET 58 CO -0.01 0.20 -0.21 1.98 1.06 0.00 0.00 176.91 179.92 2b9o h MET 59 N 0.24 0.17 -0.68 1.72 1.85 -0.74 0.58 114.93 118.06 2b9o h MET 59 Ca 0.07 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2b9o h MET 59 Cb 0.01 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 2b9o h MET 59 CO -0.01 0.38 0.39 0.28 -0.40 0.00 0.00 176.91 177.55 2b9o h VAL 60 N 0.16 1.21 0.00 -5.77 2.07 -0.02 -1.71 116.25 112.18 2b9o h VAL 60 Ca 0.03 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2b9o h VAL 60 Cb 0.47 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2b9o h VAL 60 CO 0.03 0.22 -0.33 1.23 0.02 0.00 0.00 177.57 178.74 2b9o h GLY 61 N 0.94 0.00 1.02 2.17 0.00 -0.56 -3.02 103.07 103.61 2b9o h GLY 61 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 2b9o h GLY 61 CO -0.04 0.00 -0.24 -1.61 0.00 0.00 0.00 176.54 174.64 2b9o h GLN 62 N 0.00 0.80 0.67 4.80 5.75 -0.49 -3.12 115.11 123.52 2b9o h GLN 62 Ca -0.00 -0.38 -0.03 0.00 -0.15 0.00 0.00 58.65 58.09 2b9o h GLN 62 Cb 0.99 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 2b9o h GLN 62 CO 0.04 1.01 -0.50 0.00 -2.65 0.00 0.00 178.83 176.73 2b9o h ARG 63 N 0.59 -1.09 -0.93 1.69 3.08 -1.28 -2.94 114.38 113.50 2b9o h ARG 63 Ca 0.07 0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.36 2b9o h ARG 63 Cb 0.81 0.25 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 2b9o h ARG 63 CO 0.07 -0.73 0.60 0.07 -1.07 0.00 0.00 179.97 178.90 2b9o h ARG 64 N -1.13 0.68 -0.05 0.04 0.11 -1.60 0.66 114.38 113.08 2b9o h ARG 64 Ca -0.09 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.79 2b9o h ARG 64 Cb 0.94 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2b9o h ARG 64 CO 0.03 0.45 -0.69 0.00 0.10 0.00 0.00 179.97 179.85 2b9o h ARG 65 N 0.70 0.24 -0.30 0.08 3.08 -1.55 0.45 114.38 117.07 2b9o h ARG 65 Ca 0.49 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 2b9o h ARG 65 Cb 0.81 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2b9o h ARG 65 CO -0.24 0.84 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.27 2b9o h LEU 66 N 0.16 0.66 -0.83 3.04 -0.00 -0.98 -2.49 115.31 114.88 2b9o h LEU 66 Ca -0.02 -0.41 0.02 0.00 -0.00 0.00 0.00 57.88 57.46 2b9o h LEU 66 Cb 1.24 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.67 2b9o h LEU 66 CO 0.11 0.93 0.55 -0.07 -0.00 0.00 0.00 178.44 179.95 2b9o h LEU 67 N 0.39 0.93 -0.73 1.67 3.38 -0.74 -2.63 115.31 117.58 2b9o h LEU 67 Ca 0.07 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2b9o h LEU 67 Cb 0.69 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2b9o h LEU 67 CO 0.05 0.67 0.39 -0.09 0.09 0.00 0.00 178.44 179.55 2b9o h ARG 68 N 1.10 0.67 -0.36 1.13 2.43 -0.02 -2.68 114.38 116.65 2b9o h ARG 68 Ca 0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2b9o h ARG 68 Cb -0.09 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 2b9o h ARG 68 CO -0.08 0.44 0.20 -0.92 -1.51 0.00 0.00 179.97 178.10 2b9o h TYR 69 N 0.69 0.50 -0.02 2.20 3.20 -1.07 -0.13 116.97 122.33 2b9o h TYR 69 Ca 0.34 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 2b9o h TYR 69 Cb 0.30 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2b9o h TYR 69 CO -0.08 0.39 -0.42 1.25 -1.64 0.00 0.00 178.16 177.66 2b9o h LEU 70 N 0.46 0.05 -0.32 2.82 5.85 -1.37 -0.48 115.31 122.33 2b9o h LEU 70 Ca 0.13 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 2b9o h LEU 70 Cb 0.05 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2b9o h LEU 70 CO -0.02 0.46 -0.82 -0.61 -0.34 0.00 0.00 178.44 177.11 2b9o h GLN 71 N 0.04 0.35 -0.45 1.25 4.15 -1.33 0.24 115.11 119.35 2b9o h GLN 71 Ca 0.00 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 2b9o h GLN 71 Cb 0.76 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 2b9o h GLN 71 CO 0.06 1.00 0.22 -0.09 -1.93 0.00 0.00 178.83 178.08 2b9o h ARG 72 N 0.22 0.63 0.00 1.69 2.43 -0.31 -3.31 114.38 115.72 2b9o h ARG 72 Ca -0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2b9o h ARG 72 Cb 1.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2b9o h ARG 72 CO 0.14 0.49 -0.30 0.39 -1.51 0.00 0.00 179.97 179.17 2b9o n GLU 73 N -4.39 0.18 -3.71 0.20 -0.58 -0.25 -4.93 120.64 107.15 2b9o n GLU 73 Ca 0.03 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.65 2b9o n GLU 73 Cb 0.12 -0.92 -0.13 0.00 -0.57 0.00 0.00 31.44 29.94 2b9o n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2b9o s ASP 74 N -4.57 3.64 0.04 1.62 2.15 0.82 -4.96 116.67 115.41 2b9o s ASP 74 Ca -0.09 -2.69 0.14 0.00 0.43 0.00 0.00 52.55 50.35 2b9o s ASP 74 Cb 0.01 -1.05 0.61 0.00 -0.30 0.00 0.00 42.92 42.19 2b9o s ASP 74 CO 0.13 -0.26 1.45 -0.81 -0.17 0.00 0.00 175.17 175.52 2b9o n PRO 75 N 3.46 0.03 -0.00 4.34 -0.04 -1.17 -2.93 135.00 138.68 2b9o n PRO 75 Ca 0.10 0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2b9o n PRO 75 Cb 0.35 -1.55 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2b9o n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2b9o h GLU 76 N 0.00 0.06 -0.00 0.54 4.57 -1.93 -2.34 114.58 115.48 2b9o h GLU 76 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2b9o h GLU 76 Cb 0.23 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2b9o h GLU 76 CO 0.00 0.32 -0.06 0.54 -1.18 0.00 0.00 179.01 178.63 2b9o n ARG 77 N -4.92 0.05 -0.03 1.92 1.74 -1.17 -3.22 116.66 111.03 2b9o n ARG 77 Ca -0.07 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.83 2b9o n ARG 77 Cb 0.17 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 2b9o n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2b9o h TYR 78 N 0.01 1.03 0.00 -1.55 3.20 -1.39 0.13 116.97 118.40 2b9o h TYR 78 Ca 0.00 -0.45 -0.07 0.00 3.14 0.00 0.00 58.73 61.36 2b9o h TYR 78 Cb 0.48 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2b9o h TYR 78 CO 0.00 1.27 -0.31 0.00 -1.64 0.00 0.00 178.16 177.48 2b9o h ARG 79 N 0.49 0.00 0.00 1.82 3.08 -1.44 -0.02 114.38 118.31 2b9o h ARG 79 Ca -0.04 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2b9o h ARG 79 Cb 1.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 2b9o h ARG 79 CO 0.15 0.31 -0.81 0.00 -1.07 0.00 0.00 179.97 178.55 2b9o h ALA 80 N 1.69 0.59 0.22 0.04 0.00 -1.50 -3.06 119.26 117.23 2b9o h ALA 80 Ca -0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 54.91 53.84 2b9o h ALA 80 Cb 0.56 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.25 2b9o h ALA 80 CO 0.04 1.02 -1.46 1.25 0.00 0.00 0.00 179.25 180.10 2b9o h LEU 81 N 0.00 0.71 0.66 0.00 6.46 -0.23 -3.21 115.31 119.71 2b9o h LEU 81 Ca -0.01 -0.80 -0.03 0.00 -0.12 0.00 0.00 57.88 56.92 2b9o h LEU 81 Cb 1.49 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 41.20 2b9o h LEU 81 CO 0.11 1.63 -0.32 0.40 -0.62 0.00 0.00 178.44 179.64 2b9o h ILE 82 N 0.12 0.00 -0.63 4.05 2.04 -1.13 -2.84 117.51 119.12 2b9o h ILE 82 Ca -0.24 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.47 2b9o h ILE 82 Cb 2.12 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 2b9o h ILE 82 CO 0.25 0.00 0.05 -0.08 0.00 0.00 0.00 178.15 178.36 2b9o h GLU 83 N -1.17 0.15 -0.23 2.37 4.22 -1.71 3.31 114.58 121.52 2b9o h GLU 83 Ca -0.09 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.38 2b9o h GLU 83 Cb 0.68 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2b9o h GLU 83 CO 0.15 0.10 0.01 -0.22 -2.18 0.00 0.00 179.01 176.87 2b9o h LYS 84 N 0.16 0.08 0.21 1.92 3.64 -1.64 -3.15 116.57 117.78 2b9o h LYS 84 Ca 0.33 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2b9o h LYS 84 Cb 0.54 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2b9o h LYS 84 CO -0.51 0.06 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.56 2b9o h LEU 85 N 0.09 -0.24 0.00 5.20 3.38 -0.97 -3.50 115.31 119.28 2b9o h LEU 85 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b9o h LEU 85 Cb 0.13 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2b9o h LEU 85 CO -0.17 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2b9o n GLY 86 N 0.96 0.85 3.01 0.83 0.00 1.09 -5.09 105.19 106.84 2b9o n GLY 86 Ca -0.05 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 2b9o n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b9o s ILE 87 N -1.89 0.89 0.00 -0.61 1.09 -1.23 -5.04 121.20 114.41 2b9o s ILE 87 Ca 0.00 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.16 2b9o s ILE 87 Cb 0.00 -0.80 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 2b9o s ILE 87 CO 0.00 0.28 0.00 0.54 -0.10 0.00 0.00 174.94 175.66 2b9o n ARG 88 N 3.45 0.00 0.00 2.79 5.12 -1.26 -4.88 116.66 121.89 2b9o n ARG 88 Ca -0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2b9o n ARG 88 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 2b9o n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11