#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb0 s ILE 16 N 0.00 4.17 -0.42 2.46 -4.36 -1.26 -5.08 121.20 116.72 2qb0 s ILE 16 Ca 0.00 -0.29 -0.15 0.00 -0.26 0.00 0.00 60.65 59.95 2qb0 s ILE 16 Cb 0.00 -2.98 0.03 0.00 1.25 0.00 0.00 42.46 40.76 2qb0 s ILE 16 CO 0.00 0.30 0.31 -0.13 0.24 0.00 0.00 174.94 175.66 2qb0 s ARG 17 N 1.58 2.95 0.43 0.37 1.81 -1.26 -5.07 118.95 119.77 2qb0 s ARG 17 Ca 0.06 -1.09 0.07 0.00 -1.72 0.00 0.00 55.73 53.05 2qb0 s ARG 17 Cb -0.15 -3.98 0.01 0.00 -0.45 0.00 0.00 34.95 30.37 2qb0 s ARG 17 CO 0.03 -0.80 0.59 -0.48 -0.68 0.00 0.00 175.30 173.96 2qb0 s LEU 18 N 1.66 3.62 0.69 2.53 2.34 -1.26 -5.08 118.68 123.18 2qb0 s LEU 18 Ca 0.05 -0.39 -0.17 0.00 0.06 0.00 0.00 54.13 53.68 2qb0 s LEU 18 Cb -0.20 -2.67 0.01 0.00 -0.56 0.00 0.00 46.19 42.77 2qb0 s LEU 18 CO 0.09 -0.80 1.22 -2.65 -1.06 0.00 0.00 176.35 173.15 2qb0 n PRO 19 N -1.90 0.84 -0.21 1.48 -0.02 -1.26 -4.82 135.00 129.11 2qb0 n PRO 19 Ca 0.08 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 2qb0 n PRO 19 Cb 0.59 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 2qb0 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qb0 h ALA 20 N 0.14 0.76 0.00 3.55 0.00 -2.01 -1.08 119.26 120.62 2qb0 h ALA 20 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qb0 h ALA 20 Cb 1.33 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2qb0 h ALA 20 CO 0.51 -0.32 0.00 -2.39 0.00 0.00 0.00 179.25 177.05 2qb0 n HIS 21 N -5.14 0.12 0.16 0.00 -0.00 -1.26 -2.10 115.22 107.00 2qb0 n HIS 21 Ca 0.10 0.06 0.04 0.00 -0.00 0.00 0.00 57.72 57.92 2qb0 n HIS 21 Cb 0.35 -0.59 0.07 0.00 -0.00 0.00 0.00 29.99 29.81 2qb0 n HIS 21 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qb0 n LEU 22 N -1.62 2.09 0.00 2.39 4.77 -0.42 -4.53 117.00 119.68 2qb0 n LEU 22 Ca 0.01 -1.40 0.10 0.00 -0.03 0.00 0.00 56.01 54.69 2qb0 n LEU 22 Cb 0.06 -0.07 0.58 0.00 -2.33 0.00 0.00 43.42 41.66 2qb0 n LEU 22 CO 0.06 0.47 0.79 0.54 -1.33 0.00 0.00 177.39 177.92 2qb0 n ARG 23 N 0.39 0.71 -2.78 3.23 1.74 -0.89 -4.74 116.66 114.32 2qb0 n ARG 23 Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 2qb0 n ARG 23 Cb 0.28 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 2qb0 n ARG 23 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qb0 s LEU 24 N -1.86 3.89 0.23 0.55 2.96 -1.26 -4.99 118.68 118.19 2qb0 s LEU 24 Ca 0.29 1.60 -0.32 0.00 -0.22 0.00 0.00 54.13 55.48 2qb0 s LEU 24 Cb 0.13 -4.46 -0.13 0.00 0.50 0.00 0.00 46.19 42.24 2qb0 s LEU 24 CO 0.23 -0.39 1.59 0.00 -1.32 0.00 0.00 176.35 176.46 2qb0 n GLN 25 N -0.81 2.46 -0.06 1.98 6.02 -1.26 -4.85 117.38 120.86 2qb0 n GLN 25 Ca 0.06 0.88 0.25 0.00 -0.01 0.00 0.00 57.00 58.18 2qb0 n GLN 25 Cb 0.54 -2.65 0.63 0.00 1.02 0.00 0.00 30.24 29.78 2qb0 n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qb0 h PRO 26 N 5.47 0.00 0.00 -1.09 0.11 -1.94 0.12 132.00 134.67 2qb0 h PRO 26 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2qb0 h PRO 26 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qb0 h PRO 26 CO 0.85 0.00 -0.11 0.97 -0.21 0.00 0.00 178.00 179.50 2qb0 h ILE 27 N 0.00 0.40 -0.07 4.15 2.10 -1.88 -2.43 117.51 119.78 2qb0 h ILE 27 Ca 0.34 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2qb0 h ILE 27 Cb 1.89 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.04 2qb0 h ILE 27 CO -0.00 0.11 0.00 -1.22 -1.08 0.00 0.00 178.15 175.95 2qb0 n TYR 28 N -3.43 0.06 -2.21 2.19 4.02 0.43 -3.98 117.16 114.24 2qb0 n TYR 28 Ca -0.01 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 2qb0 n TYR 28 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 2qb0 n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qb0 s TRP 29 N -1.94 3.25 0.86 -0.72 0.51 -0.91 -4.94 118.94 115.06 2qb0 s TRP 29 Ca 0.32 1.16 -0.13 0.00 -2.12 0.00 0.00 56.10 55.33 2qb0 s TRP 29 Cb 0.20 -3.62 0.12 0.00 -0.81 0.00 0.00 33.47 29.36 2qb0 s TRP 29 CO 0.31 -1.99 1.21 -1.54 -0.51 0.00 0.00 176.95 174.43 2qb0 s SER 30 N 0.51 3.99 0.27 2.95 1.04 -1.26 -0.42 113.70 120.78 2qb0 s SER 30 Ca 0.58 0.68 -0.01 0.00 0.48 0.00 0.00 55.95 57.69 2qb0 s SER 30 Cb -0.37 -1.07 0.53 0.00 0.10 0.00 0.00 66.02 65.22 2qb0 s SER 30 CO 0.37 -2.22 1.78 -0.09 0.98 0.00 0.00 173.24 174.06 2qb0 h ARG 31 N -1.28 0.69 -0.13 4.02 9.65 -1.91 -1.76 114.38 123.66 2qb0 h ARG 31 Ca -0.46 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.24 2qb0 h ARG 31 Cb 1.31 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2qb0 h ARG 31 CO 0.58 0.46 -0.50 -0.44 2.80 0.00 0.00 179.97 182.87 2qb0 h ASP 32 N 0.71 0.39 -0.66 -3.80 5.19 -1.93 -3.04 116.42 113.28 2qb0 h ASP 32 Ca 0.47 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 2qb0 h ASP 32 Cb 0.61 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 2qb0 h ASP 32 CO -0.33 0.83 0.32 0.44 -3.12 0.00 0.00 179.24 177.37 2qb0 h ASP 33 N 0.28 0.86 0.19 6.45 3.32 -1.68 -1.55 116.42 124.29 2qb0 h ASP 33 Ca 0.01 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2qb0 h ASP 33 Cb 0.98 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2qb0 h ASP 33 CO 0.08 0.75 -0.38 -0.37 -1.72 0.00 0.00 179.24 177.60 2qb0 h VAL 34 N 0.91 1.30 -0.71 -1.35 -1.51 -1.45 -0.28 116.25 113.15 2qb0 h VAL 34 Ca 0.23 -1.46 -0.04 0.00 -1.23 0.00 0.00 66.70 64.19 2qb0 h VAL 34 Cb 0.11 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 2qb0 h VAL 34 CO -0.03 0.44 0.27 0.00 -1.23 0.00 0.00 177.57 177.02 2qb0 h ALA 35 N 1.37 0.93 -0.25 5.19 0.00 -1.37 0.06 119.26 125.19 2qb0 h ALA 35 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2qb0 h ALA 35 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qb0 h ALA 35 CO 0.06 0.56 -0.33 1.96 0.00 0.00 0.00 179.25 181.50 2qb0 h GLN 36 N 1.02 0.54 -0.27 0.00 7.50 -0.93 -2.19 115.11 120.79 2qb0 h GLN 36 Ca 0.24 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 2qb0 h GLN 36 Cb 0.23 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 2qb0 h GLN 36 CO -0.02 0.80 0.10 2.35 -1.50 0.00 0.00 178.83 180.57 2qb0 h TRP 37 N 0.46 0.41 -0.37 2.96 7.01 -0.67 -0.18 115.95 125.58 2qb0 h TRP 37 Ca 0.05 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.07 2qb0 h TRP 37 Cb 0.80 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.69 2qb0 h TRP 37 CO 0.03 0.43 0.06 -0.07 -2.79 0.00 0.00 178.44 176.11 2qb0 h LEU 38 N 0.27 -0.01 -0.82 0.65 4.07 -0.93 0.60 115.31 119.15 2qb0 h LEU 38 Ca 0.09 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 2qb0 h LEU 38 Cb 0.20 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2qb0 h LEU 38 CO -0.01 0.03 0.23 0.50 -1.08 0.00 0.00 178.44 178.11 2qb0 h LYS 39 N 0.18 1.11 -0.08 1.13 3.64 -1.17 -1.40 116.57 119.98 2qb0 h LYS 39 Ca 0.18 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2qb0 h LYS 39 Cb 0.21 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2qb0 h LYS 39 CO -0.24 0.94 -0.01 2.35 -2.27 0.00 0.00 179.45 180.22 2qb0 h TRP 40 N 1.06 0.16 -0.92 1.91 7.01 -0.70 -3.09 115.95 121.38 2qb0 h TRP 40 Ca 0.23 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.22 2qb0 h TRP 40 Cb 0.29 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.27 2qb0 h TRP 40 CO 0.02 0.45 0.61 0.00 -2.79 0.00 0.00 178.44 176.73 2qb0 h ALA 41 N 0.69 1.36 -0.26 2.65 0.00 -0.73 0.44 119.26 123.41 2qb0 h ALA 41 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qb0 h ALA 41 Cb 0.39 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2qb0 h ALA 41 CO 0.01 0.59 0.05 1.49 0.00 0.00 0.00 179.25 181.38 2qb0 h GLU 42 N 1.23 0.14 -0.13 0.00 4.81 -1.27 -1.30 114.58 118.05 2qb0 h GLU 42 Ca 0.34 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.38 2qb0 h GLU 42 Cb -0.11 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qb0 h GLU 42 CO -0.08 0.09 -0.66 -0.97 -0.73 0.00 0.00 179.01 176.66 2qb0 h ASN 43 N 0.15 0.81 -0.08 1.04 -1.24 -1.35 -1.88 115.58 113.02 2qb0 h ASN 43 Ca 0.12 -0.63 -0.07 0.00 0.71 0.00 0.00 56.30 56.43 2qb0 h ASN 43 Cb 0.13 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2qb0 h ASN 43 CO -0.17 1.31 -0.13 -0.08 -1.29 0.00 0.00 177.43 177.07 2qb0 h GLU 44 N 0.36 0.41 -0.23 6.67 4.57 -0.86 -3.24 114.58 122.26 2qb0 h GLU 44 Ca -0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2qb0 h GLU 44 Cb 1.30 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2qb0 h GLU 44 CO 0.14 0.55 0.00 1.19 -1.18 0.00 0.00 179.01 179.70 2qb0 n PHE 45 N -4.22 0.30 -3.77 0.92 3.72 -0.50 -5.01 117.46 108.90 2qb0 n PHE 45 Ca 0.00 -0.40 -0.24 0.00 -0.05 0.00 0.00 57.45 56.77 2qb0 n PHE 45 Cb 0.31 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.85 2qb0 n PHE 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qb0 n SER 46 N 0.35 -1.88 -4.93 4.37 7.64 -0.78 -4.99 113.62 113.41 2qb0 n SER 46 Ca 0.08 -0.83 -0.25 0.00 1.01 0.00 0.00 58.87 58.89 2qb0 n SER 46 Cb 0.36 -3.93 0.03 0.00 -1.01 0.00 0.00 64.21 59.66 2qb0 n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qb0 s LEU 47 N -6.84 3.29 0.59 -3.43 1.43 -0.78 -5.06 118.68 107.89 2qb0 s LEU 47 Ca 0.15 0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 2qb0 s LEU 47 Cb -0.07 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2qb0 s LEU 47 CO 0.82 -1.05 1.26 -0.13 0.23 0.00 0.00 176.35 177.48 2qb0 s ARG 48 N -4.90 2.91 0.13 1.70 1.81 -1.26 -4.89 118.95 114.45 2qb0 s ARG 48 Ca 0.54 1.97 -0.34 0.00 -1.72 0.00 0.00 55.73 56.18 2qb0 s ARG 48 Cb -0.10 -1.98 -0.14 0.00 -0.45 0.00 0.00 34.95 32.27 2qb0 s ARG 48 CO 0.43 -1.29 1.58 -2.30 -0.68 0.00 0.00 175.30 173.04 2qb0 n PRO 49 N -1.53 2.04 -3.62 3.54 -0.02 -1.26 -4.96 135.00 129.20 2qb0 n PRO 49 Ca 0.13 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.99 2qb0 n PRO 49 Cb 0.48 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 2qb0 n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qb0 s ILE 50 N 1.18 5.34 0.39 4.25 -1.09 -1.26 -5.07 121.20 124.93 2qb0 s ILE 50 Ca 0.81 0.26 -0.27 0.00 -2.23 0.00 0.00 60.65 59.22 2qb0 s ILE 50 Cb -0.71 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 36.54 2qb0 s ILE 50 CO 0.40 0.34 1.36 -0.62 -1.23 0.00 0.00 174.94 175.19 2qb0 s ASP 51 N 1.02 6.36 0.55 3.58 2.15 -1.26 -4.91 116.67 124.17 2qb0 s ASP 51 Ca 0.09 2.79 0.30 0.00 0.43 0.00 0.00 52.55 56.16 2qb0 s ASP 51 Cb -0.14 -2.65 1.63 0.00 -0.30 0.00 0.00 42.92 41.47 2qb0 s ASP 51 CO 0.05 -0.83 2.14 0.28 -0.17 0.00 0.00 175.17 176.64 2qb0 h SER 52 N 2.86 0.00 -0.53 -0.34 0.02 -1.97 -2.74 113.55 110.85 2qb0 h SER 52 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2qb0 h SER 52 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2qb0 h SER 52 CO 0.63 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.99 2qb0 n ASN 53 N -3.62 4.65 0.01 3.07 4.13 -1.26 -4.39 115.26 117.85 2qb0 n ASN 53 Ca -0.02 -2.60 -0.10 0.00 1.68 0.00 0.00 54.58 53.54 2qb0 n ASN 53 Cb 0.18 -0.60 0.04 0.00 -1.54 0.00 0.00 39.78 37.86 2qb0 n ASN 53 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2qb0 h THR 54 N 3.50 1.33 -2.38 3.41 2.02 -1.86 -3.36 112.91 115.56 2qb0 h THR 54 Ca 0.00 -1.86 -0.59 0.00 0.77 0.00 0.00 66.41 64.72 2qb0 h THR 54 Cb 1.54 1.84 -0.41 0.00 -1.74 0.00 0.00 68.15 69.38 2qb0 h THR 54 CO 0.32 0.58 -0.75 0.49 0.37 0.00 0.00 175.52 176.52 2qb0 n PHE 55 N -3.94 2.04 -2.06 3.16 3.72 -1.26 -4.97 117.46 114.15 2qb0 n PHE 55 Ca -0.04 -3.95 -0.42 0.00 -0.05 0.00 0.00 57.45 52.99 2qb0 n PHE 55 Cb 0.63 -0.42 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2qb0 n PHE 55 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qb0 n GLU 56 N 1.50 2.94 -3.55 -1.08 1.02 -1.26 -4.81 120.64 115.41 2qb0 n GLU 56 Ca 0.26 -2.85 -0.07 0.00 -0.02 0.00 0.00 57.16 54.48 2qb0 n GLU 56 Cb 0.43 -3.37 -0.02 0.00 -0.02 0.00 0.00 31.44 28.46 2qb0 n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qb0 s MET 57 N 3.69 0.83 0.83 3.49 0.23 -1.26 -5.12 119.30 121.98 2qb0 s MET 57 Ca 0.50 -0.34 -0.08 0.00 -1.03 0.00 0.00 55.69 54.74 2qb0 s MET 57 Cb 0.10 0.36 0.16 0.00 -1.53 0.00 0.00 34.83 33.92 2qb0 s MET 57 CO -0.02 -0.37 1.15 0.54 -2.03 0.00 0.00 175.02 174.30 2qb0 s ASN 58 N -2.54 3.78 0.32 -1.18 2.20 -1.26 -4.19 114.94 112.06 2qb0 s ASN 58 Ca 0.07 -0.07 -0.00 0.00 -0.94 0.00 0.00 52.86 51.92 2qb0 s ASN 58 Cb -0.01 -0.15 0.52 0.00 -2.00 0.00 0.00 41.25 39.61 2qb0 s ASN 58 CO -0.07 -2.27 1.98 1.23 -2.94 0.00 0.00 177.10 175.04 2qb0 h GLY 59 N -1.05 1.06 0.95 0.45 0.00 -0.90 -1.27 103.07 102.31 2qb0 h GLY 59 Ca -0.40 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 46.60 2qb0 h GLY 59 CO 0.39 0.38 0.54 0.50 0.00 0.00 0.00 176.54 178.36 2qb0 h LYS 60 N 1.02 0.90 0.05 4.80 1.57 -1.73 -1.04 116.57 122.14 2qb0 h LYS 60 Ca 0.28 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 2qb0 h LYS 60 Cb -0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 2qb0 h LYS 60 CO -0.06 0.59 -1.04 0.00 -0.57 0.00 0.00 179.45 178.37 2qb0 h ALA 61 N 1.55 0.32 -0.50 3.86 0.00 -1.78 -3.26 119.26 119.45 2qb0 h ALA 61 Ca 0.35 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2qb0 h ALA 61 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qb0 h ALA 61 CO -0.12 0.99 0.18 1.25 0.00 0.00 0.00 179.25 181.55 2qb0 h LEU 62 N 0.09 0.66 0.00 0.00 7.12 -0.30 -1.57 115.31 121.31 2qb0 h LEU 62 Ca -0.07 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2qb0 h LEU 62 Cb 1.73 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.69 2qb0 h LEU 62 CO 0.16 0.61 0.00 0.18 -0.13 0.00 0.00 178.44 179.26 2qb0 n LEU 63 N -4.33 0.00 0.07 2.25 4.77 -0.49 -4.48 117.00 114.79 2qb0 n LEU 63 Ca 0.04 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2qb0 n LEU 63 Cb 0.17 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2qb0 n LEU 63 CO 0.38 -0.01 -0.35 -0.07 -1.33 0.00 0.00 177.39 176.01 2qb0 h LEU 64 N 0.00 0.46 0.00 2.23 3.38 -1.39 -3.47 115.31 116.51 2qb0 h LEU 64 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2qb0 h LEU 64 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qb0 h LEU 64 CO 0.00 1.52 0.00 0.18 0.09 0.00 0.00 178.44 180.23 2qb0 n LEU 65 N -3.50 0.00 -4.90 1.67 4.77 -1.26 -5.12 117.00 108.66 2qb0 n LEU 65 Ca -0.18 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.51 2qb0 n LEU 65 Cb 1.05 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.25 2qb0 n LEU 65 CO 0.51 0.00 0.80 -0.89 -1.33 0.00 0.00 177.39 176.49 2qb0 s THR 66 N 0.00 2.00 0.26 -5.08 2.01 -1.26 -4.93 115.64 108.63 2qb0 s THR 66 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2qb0 s THR 66 Cb 0.00 -3.00 0.16 0.00 0.01 0.00 0.00 72.50 69.68 2qb0 s THR 66 CO 0.00 0.00 1.82 0.50 -0.69 0.00 0.00 174.62 176.25 2qb0 h LYS 67 N -1.16 0.99 -0.93 4.92 3.64 -1.99 -2.49 116.57 119.55 2qb0 h LYS 67 Ca -0.46 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 58.82 2qb0 h LYS 67 Cb 1.31 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 2qb0 h LYS 67 CO 0.61 0.83 0.58 0.93 -2.27 0.00 0.00 179.45 180.13 2qb0 h GLU 68 N 0.97 0.97 -0.62 1.90 5.08 -1.98 -0.89 114.58 120.01 2qb0 h GLU 68 Ca 0.22 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2qb0 h GLU 68 Cb 0.23 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qb0 h GLU 68 CO -0.01 0.64 0.19 -0.44 -1.00 0.00 0.00 179.01 178.39 2qb0 h ASP 69 N 1.00 0.91 -0.44 1.42 3.32 -1.82 -0.37 116.42 120.44 2qb0 h ASP 69 Ca 0.42 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2qb0 h ASP 69 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qb0 h ASP 69 CO -0.21 0.88 0.27 -0.26 -1.72 0.00 0.00 179.24 178.20 2qb0 h PHE 70 N 0.89 0.58 -0.82 4.55 0.04 -1.09 -1.06 116.94 120.02 2qb0 h PHE 70 Ca 0.20 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 2qb0 h PHE 70 Cb 0.30 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2qb0 h PHE 70 CO 0.02 0.40 0.43 0.00 -0.60 0.00 0.00 178.31 178.56 2qb0 h ARG 71 N 0.58 1.16 -0.38 1.51 3.08 -0.88 0.28 114.38 119.73 2qb0 h ARG 71 Ca 0.16 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2qb0 h ARG 71 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2qb0 h ARG 71 CO -0.03 0.87 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.78 2qb0 h TYR 72 N 1.15 0.77 -0.00 3.04 5.03 -0.86 -2.11 116.97 123.99 2qb0 h TYR 72 Ca 0.29 -0.15 -0.18 0.00 2.58 0.00 0.00 58.73 61.27 2qb0 h TYR 72 Cb 0.06 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 2qb0 h TYR 72 CO 0.01 0.81 -0.80 0.00 -1.32 0.00 0.00 178.16 176.85 2qb0 h ARG 73 N 0.51 0.09 -2.70 1.82 3.08 -1.02 -3.39 114.38 112.77 2qb0 h ARG 73 Ca 0.10 -0.09 -0.60 0.00 0.07 0.00 0.00 59.98 59.46 2qb0 h ARG 73 Cb 0.53 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.21 2qb0 h ARG 73 CO 0.03 0.84 -0.82 0.45 -1.07 0.00 0.00 179.97 179.40 2qb0 s SER 74 N -6.85 2.96 0.52 7.04 0.15 0.96 -4.98 113.70 113.50 2qb0 s SER 74 Ca -0.02 -2.70 0.20 0.00 0.70 0.00 0.00 55.95 54.14 2qb0 s SER 74 Cb 0.11 -0.72 1.32 0.00 -1.71 0.00 0.00 66.02 65.02 2qb0 s SER 74 CO 0.80 -0.24 2.08 -0.65 1.20 0.00 0.00 173.24 176.43 2qb0 h PRO 75 N 6.43 0.01 0.02 5.44 0.11 -1.59 0.39 132.00 142.82 2qb0 h PRO 75 Ca 0.10 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.91 2qb0 h PRO 75 Cb 0.92 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2qb0 h PRO 75 CO 0.40 0.01 -1.65 0.45 -0.21 0.00 0.00 178.00 176.99 2qb0 h HIS 76 N 0.01 0.08 0.00 0.65 3.86 -1.95 -3.42 115.15 114.38 2qb0 h HIS 76 Ca 0.12 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2qb0 h HIS 76 Cb 0.46 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2qb0 h HIS 76 CO -0.00 1.11 0.00 0.43 0.86 0.00 0.00 177.93 180.33 2qb0 n SER 77 N -3.15 0.37 -0.12 2.45 7.64 -1.13 -4.92 113.62 114.75 2qb0 n SER 77 Ca -0.17 -1.02 -0.05 0.00 1.01 0.00 0.00 58.87 58.64 2qb0 n SER 77 Cb 1.04 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.25 2qb0 n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2qb0 h GLY 78 N 0.00 0.07 1.01 0.23 0.00 -0.38 -0.64 103.07 103.36 2qb0 h GLY 78 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.60 2qb0 h GLY 78 CO 0.00 -0.20 0.56 1.29 0.00 0.00 0.00 176.54 178.19 2qb0 h ASP 79 N -0.13 0.99 -0.22 0.19 3.04 -1.83 -0.77 116.42 117.68 2qb0 h ASP 79 Ca 0.20 -0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.95 2qb0 h ASP 79 Cb 0.44 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.47 2qb0 h ASP 79 CO -0.49 0.73 0.12 -0.08 -2.04 0.00 0.00 179.24 177.48 2qb0 h GLU 80 N 1.17 0.32 -0.58 4.15 4.57 -1.79 -1.77 114.58 120.65 2qb0 h GLU 80 Ca 0.31 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.48 2qb0 h GLU 80 Cb -0.12 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 2qb0 h GLU 80 CO -0.07 0.31 0.35 -0.07 -1.18 0.00 0.00 179.01 178.36 2qb0 h LEU 81 N 0.24 0.57 -0.29 1.64 4.07 -0.82 -0.17 115.31 120.55 2qb0 h LEU 81 Ca 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2qb0 h LEU 81 Cb 0.09 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2qb0 h LEU 81 CO -0.01 0.40 0.17 0.22 -1.08 0.00 0.00 178.44 178.13 2qb0 h TYR 82 N 0.70 0.40 -0.10 1.13 5.03 -1.01 -1.80 116.97 121.32 2qb0 h TYR 82 Ca 0.24 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.45 2qb0 h TYR 82 Cb 0.03 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 2qb0 h TYR 82 CO -0.06 0.32 -0.34 0.93 -1.32 0.00 0.00 178.16 177.69 2qb0 h GLU 83 N 0.36 0.21 -0.36 1.82 4.39 -1.07 -1.70 114.58 118.22 2qb0 h GLU 83 Ca 0.10 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2qb0 h GLU 83 Cb 0.05 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2qb0 h GLU 83 CO -0.02 0.53 0.20 1.25 -1.16 0.00 0.00 179.01 179.81 2qb0 h LEU 84 N 0.18 0.45 -0.79 1.33 6.46 -0.79 -1.58 115.31 120.57 2qb0 h LEU 84 Ca 0.02 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2qb0 h LEU 84 Cb 0.69 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2qb0 h LEU 84 CO 0.05 0.41 0.44 0.25 -0.62 0.00 0.00 178.44 178.97 2qb0 h LEU 85 N 0.46 0.99 -1.16 2.25 5.85 -0.87 -0.98 115.31 121.85 2qb0 h LEU 85 Ca 0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2qb0 h LEU 85 Cb 0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2qb0 h LEU 85 CO -0.02 0.80 0.02 1.56 -0.34 0.00 0.00 178.44 180.46 2qb0 h GLN 86 N 1.10 0.60 -0.21 1.25 1.08 -0.97 -0.53 115.11 117.42 2qb0 h GLN 86 Ca 0.28 -0.13 -0.17 0.00 -1.45 0.00 0.00 58.65 57.18 2qb0 h GLN 86 Cb 0.03 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2qb0 h GLN 86 CO -0.05 0.61 -0.56 0.45 -0.95 0.00 0.00 178.83 178.34 2qb0 h HIS 87 N 0.58 0.82 -0.31 2.96 3.86 -0.84 -0.25 115.15 121.97 2qb0 h HIS 87 Ca 0.12 -0.30 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2qb0 h HIS 87 Cb 0.33 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2qb0 h HIS 87 CO 0.01 1.06 0.10 0.82 0.86 0.00 0.00 177.93 180.78 2qb0 h ILE 88 N 0.50 1.20 -0.44 2.45 2.04 -0.78 -1.83 117.51 120.66 2qb0 h ILE 88 Ca 0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2qb0 h ILE 88 Cb 1.12 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2qb0 h ILE 88 CO 0.11 0.22 0.06 -0.07 0.00 0.00 0.00 178.15 178.48 2qb0 h LEU 89 N 0.34 0.63 -0.60 1.44 3.38 -1.07 -3.06 115.31 116.37 2qb0 h LEU 89 Ca 0.10 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qb0 h LEU 89 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2qb0 h LEU 89 CO -0.00 0.66 -0.03 0.50 0.09 0.00 0.00 178.44 179.65 2qb0 h LYS 90 N 0.65 1.08 0.00 1.13 3.11 -0.74 -3.51 116.57 118.27 2qb0 h LYS 90 Ca 0.14 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2qb0 h LYS 90 Cb 0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2qb0 h LYS 90 CO 0.00 1.06 0.00 1.04 -2.81 0.00 0.00 179.45 178.75