#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8o s VAL 3 N 0.00 4.17 -0.07 0.00 1.01 -1.22 -3.33 120.40 120.96 1v8o s VAL 3 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1v8o s VAL 3 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1v8o s VAL 3 CO 0.00 -0.43 0.03 -0.62 0.00 0.00 0.00 175.10 174.08 1v8o n GLU 4 N 7.21 2.83 -4.80 2.72 1.02 0.15 -4.98 120.64 124.78 1v8o n GLU 4 Ca 0.15 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.01 1v8o n GLU 4 Cb 0.46 -1.18 -0.15 0.00 -0.02 0.00 0.00 31.44 30.56 1v8o n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8o s TYR 5 N -2.17 1.92 -0.31 -0.32 1.51 -0.65 -1.07 117.35 116.25 1v8o s TYR 5 Ca -0.03 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1v8o s TYR 5 Cb 0.02 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1v8o s TYR 5 CO 0.29 0.06 0.10 -1.17 -1.11 0.00 0.00 175.55 173.72 1v8o s LEU 6 N -0.99 4.06 -0.19 -1.29 2.96 -0.55 -0.55 118.68 122.13 1v8o s LEU 6 Ca 0.08 -0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 1v8o s LEU 6 Cb -0.09 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1v8o s LEU 6 CO 0.01 -0.24 0.15 -0.69 -1.32 0.00 0.00 176.35 174.26 1v8o s VAL 7 N 1.49 5.40 0.03 1.68 1.01 0.11 0.28 120.40 130.40 1v8o s VAL 7 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1v8o s VAL 7 Cb -0.18 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1v8o s VAL 7 CO 0.03 0.44 0.04 -0.90 0.00 0.00 0.00 175.10 174.71 1v8o n ASP 8 N 3.50 0.09 -0.07 3.32 5.68 -1.06 -4.47 116.55 123.53 1v8o n ASP 8 Ca -0.16 -1.07 -0.10 0.00 -0.50 0.00 0.00 54.79 52.96 1v8o n ASP 8 Cb 0.52 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1v8o n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v8o h ALA 9 N 0.07 0.31 -0.44 2.12 0.00 -1.90 0.31 119.26 119.73 1v8o h ALA 9 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1v8o h ALA 9 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1v8o h ALA 9 CO 0.02 -0.09 0.19 0.66 0.00 0.00 0.00 179.25 180.03 1v8o h SER 10 N 0.23 0.55 -0.03 0.00 4.64 -1.96 -1.83 113.55 115.15 1v8o h SER 10 Ca 0.08 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1v8o h SER 10 Cb 0.20 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1v8o h SER 10 CO -0.01 0.49 -0.12 0.00 -0.87 0.00 0.00 176.83 176.33 1v8o h ALA 11 N 1.60 0.06 -0.88 5.18 0.00 -1.75 -2.85 119.26 120.61 1v8o h ALA 11 Ca 0.15 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1v8o h ALA 11 Cb 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1v8o h ALA 11 CO -0.02 -0.03 0.39 1.25 0.00 0.00 0.00 179.25 180.84 1v8o h LEU 12 N -0.44 0.33 0.55 0.00 7.12 0.06 0.15 115.31 123.09 1v8o h LEU 12 Ca -0.01 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 1v8o h LEU 12 Cb 0.76 0.13 0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1v8o h LEU 12 CO 0.03 0.02 -0.27 1.88 -0.13 0.00 0.00 178.44 179.97 1v8o h TYR 13 N 0.41 -0.69 -0.20 1.25 -1.99 -1.34 0.56 116.97 114.98 1v8o h TYR 13 Ca 0.54 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.31 1v8o h TYR 13 Cb 1.01 0.23 -0.07 0.00 2.00 0.00 0.00 36.73 39.89 1v8o h TYR 13 CO -0.14 -0.36 -0.40 0.00 -0.00 0.00 0.00 178.16 177.26 1v8o h ALA 14 N -0.70 -0.51 -0.58 3.88 0.00 -1.10 -1.54 119.26 118.71 1v8o h ALA 14 Ca -0.08 0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1v8o h ALA 14 Cb 0.64 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 1v8o h ALA 14 CO 0.12 -0.89 -0.09 -0.07 0.00 0.00 0.00 179.25 178.33 1v8o h LEU 15 N -0.43 -0.44 0.00 0.00 3.38 -0.70 -2.64 115.31 114.48 1v8o h LEU 15 Ca 0.10 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1v8o h LEU 15 Cb 0.60 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1v8o h LEU 15 CO -0.43 -0.16 0.00 0.00 0.09 0.00 0.00 178.44 177.93 1v8o n ALA 16 N -2.90 0.61 -1.60 1.53 0.00 0.18 0.61 120.51 118.94 1v8o n ALA 16 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1v8o n ALA 16 Cb 0.32 -0.41 0.11 0.00 0.00 0.00 0.00 19.45 19.47 1v8o n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8o n ALA 17 N -0.63 2.52 -2.07 0.00 0.00 -0.99 -4.51 120.51 114.82 1v8o n ALA 17 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1v8o n ALA 17 Cb 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 1v8o n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1v8o n HIS 18 N -0.76 0.00 -0.32 0.00 -0.00 0.20 -4.98 115.22 109.36 1v8o n HIS 18 Ca 0.11 -0.10 0.04 0.00 -0.00 0.00 0.00 57.72 57.77 1v8o n HIS 18 Cb 0.73 0.05 0.10 0.00 -0.00 0.00 0.00 29.99 30.87 1v8o n HIS 18 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1v8o n TYR 19 N 0.07 0.24 -0.27 4.41 9.36 -1.16 0.02 117.16 129.84 1v8o n TYR 19 Ca -0.01 1.08 -0.06 0.00 3.32 0.00 0.00 57.90 62.23 1v8o n TYR 19 Cb 0.72 -0.96 0.06 0.00 -0.63 0.00 0.00 39.34 38.52 1v8o n TYR 19 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 1v8o h ASP 20 N 0.00 0.96 0.08 2.98 2.03 -1.93 0.47 116.42 121.01 1v8o h ASP 20 Ca 0.39 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1v8o h ASP 20 Cb 0.61 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1v8o h ASP 20 CO -0.90 0.82 0.00 0.29 -1.03 0.00 0.00 179.24 178.42 1v8o n LYS 21 N -4.41 0.20 0.00 4.15 5.02 0.10 -3.66 118.16 119.57 1v8o n LYS 21 Ca 0.06 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1v8o n LYS 21 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1v8o n LYS 21 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1v8o n TRP 22 N -1.14 0.00 0.26 2.13 4.27 -1.08 -4.84 117.44 117.04 1v8o n TRP 22 Ca 0.05 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.84 1v8o n TRP 22 Cb 0.05 0.00 0.90 0.00 -1.36 0.00 0.00 31.31 30.90 1v8o n TRP 22 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1v8o h ILE 23 N 0.00 0.27 0.00 -1.67 6.09 -0.97 0.60 117.51 121.83 1v8o h ILE 23 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1v8o h ILE 23 Cb 0.00 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.12 1v8o h ILE 23 CO 0.00 0.00 0.00 0.50 -3.07 0.00 0.00 178.15 175.58 1v8o h LYS 24 N 0.00 0.00 -0.20 2.19 3.64 -1.83 -2.62 116.57 117.75 1v8o h LYS 24 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1v8o h LYS 24 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1v8o h LYS 24 CO -0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1v8o n HIS 25 N -2.79 0.35 -0.30 1.91 8.25 0.21 -4.79 115.22 118.06 1v8o n HIS 25 Ca 0.01 -0.59 0.20 0.00 -0.26 0.00 0.00 57.72 57.08 1v8o n HIS 25 Cb 0.26 -0.08 0.38 0.00 1.12 0.00 0.00 29.99 31.67 1v8o n HIS 25 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1v8o n ARG 26 N -0.10 -0.06 0.33 -0.41 1.85 -0.99 0.67 116.66 117.95 1v8o n ARG 26 Ca 0.10 1.30 0.22 0.00 -1.00 0.00 0.00 57.85 58.46 1v8o n ARG 26 Cb 0.45 -2.18 1.17 0.00 -1.05 0.00 0.00 32.46 30.85 1v8o n ARG 26 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1v8o h GLU 27 N 0.00 0.00 0.00 2.89 9.09 -1.86 -1.55 114.58 123.16 1v8o h GLU 27 Ca 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.04 1v8o h GLU 27 Cb 1.52 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.62 1v8o h GLU 27 CO -0.78 0.00 -0.68 0.87 0.05 0.00 0.00 179.01 178.48 1v8o h LYS 28 N 0.00 0.00 -6.00 1.06 1.57 0.24 -3.22 116.57 110.22 1v8o h LYS 28 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1v8o h LYS 28 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1v8o h LYS 28 CO 0.00 0.04 -0.22 -0.51 -0.57 0.00 0.00 179.45 178.20 1v8o s LEU 29 N -5.72 4.46 0.16 2.94 1.02 -0.58 0.32 118.68 121.28 1v8o s LEU 29 Ca 0.02 0.93 -0.00 0.00 0.02 0.00 0.00 54.13 55.10 1v8o s LEU 29 Cb 0.08 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1v8o s LEU 29 CO 0.75 0.32 0.06 0.00 0.02 0.00 0.00 176.35 177.50 1v8o s ALA 30 N -1.10 1.06 0.30 4.21 0.00 0.29 -2.70 121.76 123.81 1v8o s ALA 30 Ca 0.24 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1v8o s ALA 30 Cb -0.16 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1v8o s ALA 30 CO 0.13 -0.47 0.33 0.96 0.00 0.00 0.00 175.76 176.71 1v8o s ILE 31 N -3.97 0.00 0.34 0.00 -4.36 0.07 0.09 121.20 113.37 1v8o s ILE 31 Ca 0.27 -1.81 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 1v8o s ILE 31 Cb 0.07 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1v8o s ILE 31 CO 0.04 0.00 0.31 -0.76 0.24 0.00 0.00 174.94 174.78 1v8o s LEU 32 N -3.24 3.61 0.32 0.37 1.43 -1.26 -1.38 118.68 118.52 1v8o s LEU 32 Ca 0.35 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1v8o s LEU 32 Cb 0.02 -2.24 0.52 0.00 0.03 0.00 0.00 46.19 44.52 1v8o s LEU 32 CO 0.20 -0.38 1.89 0.45 0.23 0.00 0.00 176.35 178.74 1v8o h HIS 33 N 1.20 0.76 -0.85 0.29 3.86 -1.92 -1.40 115.15 117.10 1v8o h HIS 33 Ca -0.45 -0.04 0.17 0.00 -1.16 0.00 0.00 60.37 58.89 1v8o h HIS 33 Cb 1.25 -0.23 -0.11 0.00 1.06 0.00 0.00 27.41 29.39 1v8o h HIS 33 CO 0.52 0.61 0.40 1.25 0.86 0.00 0.00 177.93 181.56 1v8o h LEU 34 N 0.74 0.41 -0.92 2.43 6.46 -1.96 -1.25 115.31 121.23 1v8o h LEU 34 Ca 0.18 0.12 0.17 0.00 -0.12 0.00 0.00 57.88 58.22 1v8o h LEU 34 Cb 0.18 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.08 1v8o h LEU 34 CO -0.01 0.12 0.51 0.74 -0.62 0.00 0.00 178.44 179.18 1v8o h THR 35 N 0.51 0.72 0.06 1.05 2.02 -1.63 -0.13 112.91 115.51 1v8o h THR 35 Ca 0.49 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.46 1v8o h THR 35 Cb 0.79 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1v8o h THR 35 CO -0.43 0.13 -0.31 0.40 0.37 0.00 0.00 175.52 175.67 1v8o h ILE 36 N 0.69 0.32 -0.18 3.11 1.08 -1.30 0.62 117.51 121.84 1v8o h ILE 36 Ca 0.51 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.97 1v8o h ILE 36 Cb 0.76 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1v8o h ILE 36 CO -0.37 0.00 0.05 1.88 -0.69 0.00 0.00 178.15 179.02 1v8o h TYR 37 N -0.50 0.30 -0.61 1.37 -1.99 -1.40 0.13 116.97 114.27 1v8o h TYR 37 Ca 0.05 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1v8o h TYR 37 Cb 0.56 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.16 1v8o h TYR 37 CO -0.31 0.40 0.35 0.93 -0.00 0.00 0.00 178.16 179.54 1v8o h GLU 38 N 0.11 0.66 -0.21 4.88 5.08 -0.91 0.61 114.58 124.80 1v8o h GLU 38 Ca 0.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1v8o h GLU 38 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1v8o h GLU 38 CO -0.00 0.44 -0.46 0.00 -1.00 0.00 0.00 179.01 177.99 1v8o h ALA 39 N 1.29 0.81 -0.08 3.43 0.00 -0.81 -1.86 119.26 122.04 1v8o h ALA 39 Ca 0.26 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1v8o h ALA 39 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v8o h ALA 39 CO -0.14 0.66 0.00 0.78 0.00 0.00 0.00 179.25 180.56 1v8o h GLY 40 N 1.08 0.14 1.65 0.00 0.00 0.14 -2.39 103.07 103.70 1v8o h GLY 40 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1v8o h GLY 40 CO 0.09 0.09 0.18 -0.57 0.00 0.00 0.00 176.54 176.33 1v8o h ASN 41 N -0.14 0.40 0.29 0.19 -0.73 0.27 -0.70 115.58 115.16 1v8o h ASN 41 Ca 0.02 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1v8o h ASN 41 Cb 0.32 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1v8o h ASN 41 CO 0.00 0.34 -0.14 0.00 -0.37 0.00 0.00 177.43 177.26 1v8o h ALA 42 N 1.73 -0.39 -0.88 1.57 0.00 -1.19 -1.99 119.26 118.11 1v8o h ALA 42 Ca 0.12 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1v8o h ALA 42 Cb 0.03 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1v8o h ALA 42 CO -0.02 -0.60 0.52 1.25 0.00 0.00 0.00 179.25 180.40 1v8o h LEU 43 N -0.63 0.75 -0.69 0.00 6.46 -1.02 -0.21 115.31 119.97 1v8o h LEU 43 Ca -0.04 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1v8o h LEU 43 Cb 0.45 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.21 1v8o h LEU 43 CO 0.07 0.43 0.35 -0.25 -0.62 0.00 0.00 178.44 178.41 1v8o h TRP 44 N 0.86 0.64 -0.92 1.25 7.01 -0.96 -0.97 115.95 122.86 1v8o h TRP 44 Ca 0.42 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.48 1v8o h TRP 44 Cb 0.38 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1v8o h TRP 44 CO -0.04 0.25 0.60 0.87 -2.79 0.00 0.00 178.44 177.33 1v8o h LYS 45 N 0.61 1.16 -0.84 2.65 1.57 -0.27 0.21 116.57 121.66 1v8o h LYS 45 Ca 0.33 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1v8o h LYS 45 Cb 0.32 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1v8o h LYS 45 CO -0.25 0.76 0.55 0.93 -0.57 0.00 0.00 179.45 180.88 1v8o h GLU 46 N 1.19 1.08 -0.19 3.15 4.39 -0.81 -1.20 114.58 122.19 1v8o h GLU 46 Ca 0.36 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 1v8o h GLU 46 Cb -0.05 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.35 1v8o h GLU 46 CO -0.10 0.72 -0.14 0.00 -1.16 0.00 0.00 179.01 178.33 1v8o h ALA 47 N 1.48 0.27 -0.78 3.43 0.00 -0.29 -2.97 119.26 120.41 1v8o h ALA 47 Ca 0.31 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1v8o h ALA 47 Cb -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1v8o h ALA 47 CO -0.07 0.15 0.51 0.00 0.00 0.00 0.00 179.25 179.83 1v8o h ARG 48 N 0.11 0.77 -0.96 0.00 2.47 -0.17 -1.39 114.38 115.20 1v8o h ARG 48 Ca 0.04 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.51 1v8o h ARG 48 Cb 0.65 -0.17 -0.12 0.00 -1.65 0.00 0.00 29.97 28.68 1v8o h ARG 48 CO 0.04 0.51 0.26 1.28 0.56 0.00 0.00 179.97 182.61 1v8o n LEU 49 N -4.49 4.51 -2.00 3.04 4.77 -0.50 -4.93 117.00 117.41 1v8o n LEU 49 Ca 0.12 -2.35 -0.01 0.00 -0.03 0.00 0.00 56.01 53.74 1v8o n LEU 49 Cb 0.26 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1v8o n LEU 49 CO 0.33 0.70 -0.26 0.61 -1.33 0.00 0.00 177.39 177.44 1v8o n GLY 50 N -0.18 -3.73 2.45 -0.72 0.00 -0.52 -5.02 105.19 97.47 1v8o n GLY 50 Ca 0.26 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1v8o n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v8o s ARG 51 N -0.78 0.91 0.00 1.61 3.00 -1.21 -4.87 118.95 117.61 1v8o s ARG 51 Ca -0.07 -1.91 0.00 0.00 -1.00 0.00 0.00 55.73 52.75 1v8o s ARG 51 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 34.95 33.76 1v8o s ARG 51 CO 0.34 -1.37 0.00 0.28 0.00 0.00 0.00 175.30 174.55 1v8o n VAL 52 N 2.91 0.00 -2.50 7.11 0.31 -1.26 -1.21 118.33 123.70 1v8o n VAL 52 Ca 0.27 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.22 1v8o n VAL 52 Cb 0.49 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.44 1v8o n VAL 52 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1v8o n ASP 53 N -1.77 6.93 0.07 4.52 5.68 -1.26 -4.72 116.55 126.01 1v8o n ASP 53 Ca 0.00 -3.73 0.02 0.00 -0.50 0.00 0.00 54.79 50.58 1v8o n ASP 53 Cb 0.00 -1.04 0.37 0.00 -1.14 0.00 0.00 41.12 39.32 1v8o n ASP 53 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 1v8o h TRP 54 N 3.69 0.36 0.31 2.11 5.08 -1.57 -1.15 115.95 124.78 1v8o h TRP 54 Ca 0.48 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.41 1v8o h TRP 54 Cb 0.30 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1v8o h TRP 54 CO 1.21 0.40 -0.15 0.00 -1.28 0.00 0.00 178.44 178.63 1v8o h ALA 55 N 1.62 -1.06 -0.82 0.11 0.00 -1.87 0.39 119.26 117.63 1v8o h ALA 55 Ca 0.07 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1v8o h ALA 55 Cb 0.30 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1v8o h ALA 55 CO 0.01 -1.03 0.43 0.00 0.00 0.00 0.00 179.25 178.66 1v8o h ALA 56 N -1.79 1.20 -0.30 0.00 0.00 -1.94 -1.03 119.26 115.39 1v8o h ALA 56 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1v8o h ALA 56 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1v8o h ALA 56 CO 0.07 -0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.49 1v8o h ALA 57 N 1.51 0.38 0.00 0.00 0.00 -1.15 -0.35 119.26 119.66 1v8o h ALA 57 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1v8o h ALA 57 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1v8o h ALA 57 CO -0.31 -0.14 -0.09 0.66 0.00 0.00 0.00 179.25 179.37 1v8o h SER 58 N 0.40 0.00 0.04 0.00 4.64 0.88 -0.79 113.55 118.72 1v8o h SER 58 Ca 0.11 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 1v8o h SER 58 Cb -0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1v8o h SER 58 CO -0.02 0.09 -0.84 0.03 -0.87 0.00 0.00 176.83 175.22 1v8o h ARG 59 N 0.00 0.64 -0.36 4.77 3.08 0.00 -1.90 114.38 120.61 1v8o h ARG 59 Ca -0.00 -0.57 -0.13 0.00 0.07 0.00 0.00 59.98 59.35 1v8o h ARG 59 Cb 0.17 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1v8o h ARG 59 CO 0.01 1.18 -0.31 0.45 -1.07 0.00 0.00 179.97 180.23 1v8o h HIS 60 N 0.41 0.90 -0.37 3.04 3.86 -0.39 -2.50 115.15 120.11 1v8o h HIS 60 Ca -0.06 -0.24 -0.06 0.00 -1.16 0.00 0.00 60.37 58.85 1v8o h HIS 60 Cb 1.46 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 1v8o h HIS 60 CO 0.08 0.99 -0.01 1.25 0.86 0.00 0.00 177.93 181.10 1v8o h LEU 61 N 0.66 0.55 0.29 2.43 6.46 -1.13 -0.38 115.31 124.18 1v8o h LEU 61 Ca 0.07 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1v8o h LEU 61 Cb 0.85 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1v8o h LEU 61 CO 0.07 0.63 -0.14 0.50 -0.62 0.00 0.00 178.44 178.89 1v8o h LYS 62 N 0.56 -0.37 0.44 1.25 3.64 -0.96 -3.21 116.57 117.93 1v8o h LYS 62 Ca 0.12 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1v8o h LYS 62 Cb 0.37 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1v8o h LYS 62 CO 0.01 -0.17 -0.21 0.87 -2.27 0.00 0.00 179.45 177.68 1v8o h LYS 63 N -0.49 -0.57 -0.31 1.90 1.57 -1.21 -2.59 116.57 114.86 1v8o h LYS 63 Ca -0.04 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v8o h LYS 63 Cb 0.37 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1v8o h LYS 63 CO 0.06 -0.37 0.00 0.28 -0.57 0.00 0.00 179.45 178.85 1v8o n VAL 64 N -5.34 0.00 0.00 0.50 0.31 -0.17 -3.84 118.33 109.79 1v8o n VAL 64 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1v8o n VAL 64 Cb 0.26 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1v8o n VAL 64 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1v8o n SER 66 N 0.26 0.00 0.01 4.52 3.41 -0.98 -4.42 113.62 116.42 1v8o n SER 66 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1v8o n SER 66 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1v8o n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1v8o n SER 67 N 0.00 0.58 -4.73 4.04 3.41 -1.25 -4.87 113.62 110.80 1v8o n SER 67 Ca 0.00 -0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 57.98 1v8o n SER 67 Cb 0.00 0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1v8o n SER 67 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1v8o s PHE 68 N -3.05 3.55 0.64 7.33 0.40 -1.26 -4.62 117.98 120.97 1v8o s PHE 68 Ca 0.09 0.94 -0.15 0.00 -0.60 0.00 0.00 56.93 57.21 1v8o s PHE 68 Cb 0.16 -2.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1v8o s PHE 68 CO 0.73 0.22 1.11 0.21 0.70 0.00 0.00 175.22 178.19 1v8o s LYS 69 N 0.41 2.89 -0.22 0.44 2.20 -1.10 -4.79 119.74 119.56 1v8o s LYS 69 Ca 0.27 1.39 0.02 0.00 -0.36 0.00 0.00 55.97 57.29 1v8o s LYS 69 Cb -0.16 -1.96 0.04 0.00 -1.51 0.00 0.00 37.83 34.24 1v8o s LYS 69 CO 0.11 -1.18 -0.15 0.08 -0.36 0.00 0.00 175.35 173.86 1v8o s VAL 70 N -2.31 2.11 0.94 4.02 1.01 -1.26 -0.75 120.40 124.16 1v8o s VAL 70 Ca 0.67 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1v8o s VAL 70 Cb -0.20 -2.09 0.15 0.00 0.00 0.00 0.00 36.38 34.24 1v8o s VAL 70 CO 0.40 0.21 1.14 -0.76 0.00 0.00 0.00 175.10 176.09 1v8o s LEU 71 N 1.19 1.91 0.65 3.92 1.43 -0.48 -4.96 118.68 122.33 1v8o s LEU 71 Ca -0.03 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1v8o s LEU 71 Cb -0.17 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1v8o s LEU 71 CO -0.08 -2.72 1.05 -1.61 0.23 0.00 0.00 176.35 173.22 1v8o s GLU 72 N -5.26 3.37 0.29 1.70 2.02 -1.26 -4.43 118.70 115.13 1v8o s GLU 72 Ca 0.65 0.68 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 1v8o s GLU 72 Cb -0.15 -2.06 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 1v8o s GLU 72 CO 0.54 -0.72 1.28 -0.51 0.02 0.00 0.00 175.26 175.87 1v8o s ASP 73 N -4.21 6.88 0.87 -0.19 -0.00 -1.26 -4.93 116.67 113.82 1v8o s ASP 73 Ca 0.56 2.56 -0.11 0.00 -0.00 0.00 0.00 52.55 55.55 1v8o s ASP 73 Cb -0.11 -2.64 0.11 0.00 -0.00 0.00 0.00 42.92 40.29 1v8o s ASP 73 CO 0.53 -0.47 1.09 -2.84 -0.00 0.00 0.00 175.17 173.48 1v8o s PRO 74 N -1.31 1.45 -0.05 8.23 0.02 -1.26 -4.95 135.00 137.13 1v8o s PRO 74 Ca 0.50 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.12 1v8o s PRO 74 Cb -0.38 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1v8o s PRO 74 CO 0.47 -2.13 1.10 -2.14 -0.33 0.00 0.00 177.00 173.98 1v8o s PRO 75 N -4.92 4.42 0.40 5.54 0.02 -1.26 -4.84 135.00 134.35 1v8o s PRO 75 Ca 0.63 1.55 0.21 0.00 0.02 0.00 0.00 61.00 63.41 1v8o s PRO 75 Cb -0.18 -3.51 1.19 0.00 0.02 0.00 0.00 34.50 32.02 1v8o s PRO 75 CO 0.57 -0.32 1.70 1.25 -0.33 0.00 0.00 177.00 179.87 1v8o h LEU 76 N 7.75 0.40 0.00 -5.54 6.46 -2.00 -2.25 115.31 120.12 1v8o h LEU 76 Ca -0.35 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1v8o h LEU 76 Cb 1.17 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1v8o h LEU 76 CO 0.84 -0.04 0.00 -0.67 -0.62 0.00 0.00 178.44 177.96 1v8o n ASP 77 N -4.74 0.00 -0.19 1.25 4.64 -1.26 -2.89 116.55 113.37 1v8o n ASP 77 Ca 0.30 0.62 -0.07 0.00 -1.38 0.00 0.00 54.79 54.26 1v8o n ASP 77 Cb 1.07 -0.20 0.02 0.00 -1.04 0.00 0.00 41.12 40.97 1v8o n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1v8o h GLU 78 N 0.00 0.75 -1.80 -0.67 4.39 -1.81 -3.22 114.58 112.21 1v8o h GLU 78 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1v8o h GLU 78 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1v8o h GLU 78 CO 0.00 0.55 0.00 0.28 -1.16 0.00 0.00 179.01 178.68 1v8o n VAL 79 N -4.65 0.00 0.00 3.13 0.31 -1.14 -1.97 118.33 114.01 1v8o n VAL 79 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1v8o n VAL 79 Cb 0.06 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1v8o n VAL 79 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v8o n ARG 81 N 0.94 0.00 -0.27 5.55 1.74 -1.22 -0.90 116.66 122.50 1v8o n ARG 81 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1v8o n ARG 81 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 31.70 1v8o n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1v8o h VAL 82 N 0.00 1.08 0.59 1.55 2.07 -1.73 -0.79 116.25 119.02 1v8o h VAL 82 Ca 0.00 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1v8o h VAL 82 Cb 0.00 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1v8o h VAL 82 CO 0.00 0.18 -0.28 0.00 0.02 0.00 0.00 177.57 177.49 1v8o h ALA 83 N 1.53 -0.79 -0.87 1.67 0.00 -1.27 0.24 119.26 119.76 1v8o h ALA 83 Ca 0.36 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1v8o h ALA 83 Cb 0.16 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1v8o h ALA 83 CO -0.12 -0.78 0.56 0.28 0.00 0.00 0.00 179.25 179.19 1v8o h VAL 84 N -1.11 0.91 0.15 0.00 2.07 -1.76 -1.64 116.25 114.86 1v8o h VAL 84 Ca -0.08 -0.27 -0.21 0.00 0.82 0.00 0.00 66.70 66.96 1v8o h VAL 84 Cb 0.65 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1v8o h VAL 84 CO 0.13 0.14 -0.92 -0.33 0.02 0.00 0.00 177.57 176.62 1v8o h GLU 85 N 0.78 0.36 -0.53 1.57 5.08 -1.11 -3.35 114.58 117.38 1v8o h GLU 85 Ca 0.42 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1v8o h GLU 85 Cb 0.55 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1v8o h GLU 85 CO -0.18 1.27 0.00 0.54 -1.00 0.00 0.00 179.01 179.63 1v8o n ARG 86 N -4.06 2.25 -2.54 2.33 1.74 0.83 -4.92 116.66 112.29 1v8o n ARG 86 Ca -0.14 -1.87 -0.17 0.00 -0.77 0.00 0.00 57.85 54.90 1v8o n ARG 86 Cb 0.86 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.88 1v8o n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8o n GLY 87 N 1.29 -0.28 3.79 -0.13 0.00 -0.65 -5.01 105.19 104.20 1v8o n GLY 87 Ca 0.17 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1v8o n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 88 N -4.94 3.73 0.69 0.99 1.43 -0.99 -5.07 118.68 114.53 1v8o s LEU 88 Ca 0.10 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1v8o s LEU 88 Cb -0.04 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1v8o s LEU 88 CO 0.13 0.01 1.07 0.42 0.23 0.00 0.00 176.35 178.20 1v8o s THR 89 N -1.99 3.60 0.38 5.49 -4.23 -1.26 -4.50 115.64 113.13 1v8o s THR 89 Ca 0.32 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 1v8o s THR 89 Cb -0.09 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.53 1v8o s THR 89 CO 0.24 -0.65 2.00 0.15 -0.54 0.00 0.00 174.62 175.82 1v8o h PHE 90 N -0.57 0.67 0.15 3.99 3.57 -1.95 0.93 116.94 123.72 1v8o h PHE 90 Ca -0.45 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1v8o h PHE 90 Cb 1.25 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1v8o h PHE 90 CO 0.51 0.39 -0.07 1.88 -2.23 0.00 0.00 178.31 178.79 1v8o h TYR 91 N 0.69 -0.18 -0.33 0.41 0.05 -2.00 -2.01 116.97 113.60 1v8o h TYR 91 Ca 0.24 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 1v8o h TYR 91 Cb 0.11 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1v8o h TYR 91 CO -0.00 0.03 0.04 -0.44 -1.05 0.00 0.00 178.16 176.73 1v8o h ASP 92 N -0.37 0.55 -0.23 3.88 3.45 -1.83 -2.68 116.42 119.19 1v8o h ASP 92 Ca -0.02 -0.28 0.07 0.00 0.43 0.00 0.00 57.03 57.23 1v8o h ASP 92 Cb 0.29 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1v8o h ASP 92 CO 0.03 0.69 0.21 0.00 -1.57 0.00 0.00 179.24 178.60 1v8o h ALA 93 N 0.88 1.98 -0.26 3.45 0.00 -0.81 -1.46 119.26 123.05 1v8o h ALA 93 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1v8o h ALA 93 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1v8o h ALA 93 CO 0.01 -0.33 0.05 0.77 0.00 0.00 0.00 179.25 179.75 1v8o h SER 94 N 0.00 0.41 0.04 0.00 0.02 -1.00 0.25 113.55 113.27 1v8o h SER 94 Ca 0.11 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1v8o h SER 94 Cb 0.53 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1v8o h SER 94 CO -0.00 0.56 -0.02 1.88 -1.14 0.00 0.00 176.83 178.11 1v8o h TYR 95 N 0.25 -0.04 -0.44 3.45 -1.99 -1.30 -1.44 116.97 115.45 1v8o h TYR 95 Ca 0.08 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.90 1v8o h TYR 95 Cb 0.32 0.01 -0.09 0.00 2.00 0.00 0.00 36.73 38.97 1v8o h TYR 95 CO 0.02 0.18 -0.17 0.00 -0.00 0.00 0.00 178.16 178.19 1v8o h ALA 96 N 0.69 0.19 0.84 3.88 0.00 -1.36 0.12 119.26 123.62 1v8o h ALA 96 Ca -0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1v8o h ALA 96 Cb 0.25 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1v8o h ALA 96 CO 0.01 -0.51 -0.40 -0.92 0.00 0.00 0.00 179.25 177.42 1v8o h TYR 97 N -0.07 -1.05 -0.35 0.00 3.20 -0.83 0.13 116.97 118.01 1v8o h TYR 97 Ca 0.21 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.13 1v8o h TYR 97 Cb 0.40 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 1v8o h TYR 97 CO -0.43 -0.65 -0.32 0.28 -1.64 0.00 0.00 178.16 175.40 1v8o h VAL 98 N -1.14 0.25 0.49 1.81 2.07 -1.06 0.56 116.25 119.23 1v8o h VAL 98 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1v8o h VAL 98 Cb 0.87 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1v8o h VAL 98 CO 0.19 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.27 1v8o h ALA 99 N 0.71 -1.15 -0.35 1.67 0.00 -0.76 0.11 119.26 119.50 1v8o h ALA 99 Ca 0.16 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1v8o h ALA 99 Cb 0.53 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1v8o h ALA 99 CO -0.50 -1.19 0.11 0.93 0.00 0.00 0.00 179.25 178.61 1v8o h GLU 100 N -1.00 0.25 0.62 0.00 5.08 -0.38 0.12 114.58 119.27 1v8o h GLU 100 Ca -0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1v8o h GLU 100 Cb 0.87 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1v8o h GLU 100 CO -0.07 0.16 -0.30 1.03 -1.00 0.00 0.00 179.01 178.84 1v8o h SER 101 N 0.26 -0.70 0.00 1.42 0.87 0.31 -2.57 113.55 113.13 1v8o h SER 101 Ca 0.16 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1v8o h SER 101 Cb 0.14 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1v8o h SER 101 CO -0.17 -0.47 0.00 -1.20 -0.53 0.00 0.00 176.83 174.46 1v8o n SER 102 N -5.43 0.44 -3.46 6.23 7.64 0.38 -4.81 113.62 114.61 1v8o n SER 102 Ca -0.13 -1.41 -0.25 0.00 1.01 0.00 0.00 58.87 58.09 1v8o n SER 102 Cb 0.35 -0.22 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1v8o n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8o n GLY 103 N 0.17 -0.50 3.95 0.23 0.00 -0.97 -4.97 105.19 103.09 1v8o n GLY 103 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1v8o n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 104 N -6.80 3.97 -0.39 0.99 1.43 0.39 -5.03 118.68 113.25 1v8o s LEU 104 Ca 0.46 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.22 1v8o s LEU 104 Cb -0.23 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1v8o s LEU 104 CO 0.57 -0.30 0.34 -0.69 0.23 0.00 0.00 176.35 176.50 1v8o s VAL 105 N -2.15 5.20 -0.10 -1.59 1.01 -0.24 -4.41 120.40 118.13 1v8o s VAL 105 Ca 0.41 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1v8o s VAL 105 Cb -0.09 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1v8o s VAL 105 CO 0.29 -0.24 1.28 -0.22 0.00 0.00 0.00 175.10 176.21 1v8o s LEU 106 N 1.88 4.24 -0.44 3.92 0.20 -1.26 -1.48 118.68 125.74 1v8o s LEU 106 Ca 0.08 1.82 -0.14 0.00 0.69 0.00 0.00 54.13 56.59 1v8o s LEU 106 Cb -0.18 -3.55 0.06 0.00 -0.43 0.00 0.00 46.19 42.09 1v8o s LEU 106 CO 0.11 -0.70 0.34 -0.69 -0.29 0.00 0.00 176.35 175.13 1v8o s VAL 107 N 2.89 5.02 0.12 1.68 1.01 0.14 -1.58 120.40 129.70 1v8o s VAL 107 Ca 0.57 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1v8o s VAL 107 Cb -0.25 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1v8o s VAL 107 CO 0.20 -0.49 -0.11 0.28 0.00 0.00 0.00 175.10 174.98 1v8o s THR 108 N 1.61 1.13 -1.75 3.92 -1.32 -0.40 -2.57 115.64 116.25 1v8o s THR 108 Ca 0.04 -1.84 0.19 0.00 -1.21 0.00 0.00 61.69 58.87 1v8o s THR 108 Cb -0.23 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 1v8o s THR 108 CO 0.07 -0.61 0.97 1.67 -2.21 0.00 0.00 174.62 174.51 1v8o n GLN 109 N 0.22 1.43 -2.64 7.08 -0.06 -1.26 -3.86 117.38 118.29 1v8o n GLN 109 Ca -0.13 -0.89 -0.43 0.00 -2.00 0.00 0.00 57.00 53.55 1v8o n GLN 109 Cb 0.59 -1.38 -0.02 0.00 -4.06 0.00 0.00 30.24 25.37 1v8o n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8o s ASP 110 N -2.22 6.94 0.21 1.69 -1.08 -1.26 -4.93 116.67 116.03 1v8o s ASP 110 Ca 0.16 1.08 -0.10 0.00 -0.52 0.00 0.00 52.55 53.17 1v8o s ASP 110 Cb 0.16 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.30 1v8o s ASP 110 CO 0.50 -0.86 1.80 0.03 0.52 0.00 0.00 175.17 177.16 1v8o h ARG 111 N 8.03 0.64 0.37 4.34 2.47 -1.99 -0.96 114.38 127.28 1v8o h ARG 111 Ca -0.20 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1v8o h ARG 111 Cb 1.06 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 1v8o h ARG 111 CO 1.03 0.42 -0.24 1.49 0.56 0.00 0.00 179.97 183.23 1v8o h GLU 112 N 0.66 -0.56 -0.86 0.04 4.57 -2.00 -1.53 114.58 114.90 1v8o h GLU 112 Ca 0.29 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1v8o h GLU 112 Cb 0.18 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1v8o h GLU 112 CO -0.18 -0.37 0.55 -0.07 -1.18 0.00 0.00 179.01 177.76 1v8o h LEU 113 N -0.58 0.92 0.28 1.64 3.38 -1.91 -1.36 115.31 117.68 1v8o h LEU 113 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1v8o h LEU 113 Cb 0.49 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1v8o h LEU 113 CO 0.03 0.64 -0.50 -0.07 0.09 0.00 0.00 178.44 178.63 1v8o h LEU 114 N 1.08 -1.44 -0.52 1.67 3.38 -0.92 0.21 115.31 118.77 1v8o h LEU 114 Ca 0.34 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.55 1v8o h LEU 114 Cb -0.00 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1v8o h LEU 114 CO -0.11 -0.59 -0.05 0.00 0.09 0.00 0.00 178.44 177.77 1v8o h ALA 115 N -0.60 0.44 -0.29 1.53 0.00 -0.89 -2.21 119.26 117.24 1v8o h ALA 115 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1v8o h ALA 115 Cb 0.79 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1v8o h ALA 115 CO -0.19 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.28 1v8o n LYS 116 N -5.30 1.70 -4.22 0.00 5.02 -0.55 -4.79 118.16 110.03 1v8o n LYS 116 Ca 0.06 -1.06 -0.29 0.00 -2.02 0.00 0.00 58.31 54.99 1v8o n LYS 116 Cb 0.29 -1.24 -0.17 0.00 -0.02 0.00 0.00 35.03 33.89 1v8o n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8o s THR 117 N -1.61 1.54 -0.11 -0.18 2.01 0.04 -5.02 115.64 112.30 1v8o s THR 117 Ca 0.20 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 1v8o s THR 117 Cb 0.10 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.10 1v8o s THR 117 CO 0.13 0.45 2.06 1.17 -0.69 0.00 0.00 174.62 177.74 1v8o n LYS 118 N 4.52 2.25 -1.15 4.92 4.81 -1.26 -2.44 118.16 129.80 1v8o n LYS 118 Ca -0.18 0.75 -0.05 0.00 -0.87 0.00 0.00 58.31 57.96 1v8o n LYS 118 Cb 0.51 -2.95 -0.02 0.00 0.02 0.00 0.00 35.03 32.59 1v8o n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1v8o n GLY 119 N 5.10 0.76 3.80 3.14 0.00 -1.26 -4.84 105.19 111.89 1v8o n GLY 119 Ca 0.26 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1v8o n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8o s ALA 120 N -2.07 2.63 0.18 4.61 0.00 -1.02 -4.51 121.76 121.58 1v8o s ALA 120 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 1v8o s ALA 120 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1v8o s ALA 120 CO 0.00 -1.08 0.25 0.96 0.00 0.00 0.00 175.76 175.88 1v8o s ILE 121 N -2.62 0.05 0.71 0.00 -4.36 -0.61 -4.97 121.20 109.40 1v8o s ILE 121 Ca 0.63 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1v8o s ILE 121 Cb -0.16 -2.07 0.13 0.00 1.25 0.00 0.00 42.46 41.60 1v8o s ILE 121 CO 0.44 -0.21 0.98 1.51 0.24 0.00 0.00 174.94 177.90 1v8o s ASP 122 N -3.03 4.37 0.13 4.36 1.47 -1.25 -1.28 116.67 121.44 1v8o s ASP 122 Ca 0.24 -0.48 -0.17 0.00 1.18 0.00 0.00 52.55 53.32 1v8o s ASP 122 Cb 0.04 0.12 -0.01 0.00 -0.34 0.00 0.00 42.92 42.73 1v8o s ASP 122 CO 0.04 -1.85 1.72 0.58 0.68 0.00 0.00 175.17 176.34 1v8o h VAL 123 N -0.48 1.16 -0.99 2.11 2.07 -1.93 -2.18 116.25 116.02 1v8o h VAL 123 Ca -0.35 -0.45 0.13 0.00 0.82 0.00 0.00 66.70 66.85 1v8o h VAL 123 Cb 1.27 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1v8o h VAL 123 CO 0.39 0.17 0.63 -0.08 0.02 0.00 0.00 177.57 178.69 1v8o h GLU 124 N 0.46 0.92 -0.45 1.57 4.81 -1.96 0.30 114.58 120.23 1v8o h GLU 124 Ca 0.13 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1v8o h GLU 124 Cb 0.10 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1v8o h GLU 124 CO -0.02 0.61 0.03 1.15 -0.73 0.00 0.00 179.01 180.05 1v8o h THR 125 N 0.94 1.25 -0.65 0.32 2.02 -1.84 -0.51 112.91 114.44 1v8o h THR 125 Ca 0.50 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1v8o h THR 125 Cb 0.55 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1v8o h THR 125 CO -0.27 0.34 0.13 0.25 0.37 0.00 0.00 175.52 176.34 1v8o h LEU 126 N 0.62 1.01 -0.91 2.58 5.85 -0.49 -1.50 115.31 122.47 1v8o h LEU 126 Ca 0.13 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1v8o h LEU 126 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1v8o h LEU 126 CO 0.02 1.00 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.72 1v8o h LEU 127 N 0.98 0.41 -0.29 2.25 3.38 -0.23 0.58 115.31 122.40 1v8o h LEU 127 Ca 0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1v8o h LEU 127 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1v8o h LEU 127 CO 0.01 0.72 -0.28 -0.37 0.09 0.00 0.00 178.44 178.61 1v8o h VAL 128 N 0.35 0.51 0.04 1.22 -1.51 -0.92 -2.70 116.25 113.26 1v8o h VAL 128 Ca 0.04 -1.57 -0.00 0.00 -1.23 0.00 0.00 66.70 63.94 1v8o h VAL 128 Cb 0.75 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1v8o h VAL 128 CO 0.06 0.27 -0.02 0.03 -1.23 0.00 0.00 177.57 176.68 1v8o h ARG 129 N 0.00 -0.06 -0.91 5.19 3.08 -0.88 -3.08 114.38 117.73 1v8o h ARG 129 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1v8o h ARG 129 Cb 1.11 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.10 1v8o h ARG 129 CO 0.04 0.45 0.59 -0.07 -1.07 0.00 0.00 179.97 179.90 1v8o h LEU 130 N -0.97 0.56 -1.27 3.04 3.38 -0.97 0.20 115.31 119.29 1v8o h LEU 130 Ca -0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1v8o h LEU 130 Cb 0.53 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1v8o h LEU 130 CO 0.01 0.25 0.51 0.00 0.09 0.00 0.00 178.44 179.30 1v8o h ALA 131 N 1.61 1.52 0.00 1.53 0.00 -1.54 -2.50 119.26 119.89 1v8o h ALA 131 Ca 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1v8o h ALA 131 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1v8o h ALA 131 CO -0.22 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.39 1v8o n ALA 132 N -2.42 3.83 -1.49 0.00 0.00 0.70 -5.11 120.51 116.02 1v8o n ALA 132 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1v8o n ALA 132 Cb 0.10 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1v8o n ALA 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54