#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n PHE 2 N 0.00 -3.23 -2.84 1.12 3.72 -1.26 -3.31 117.46 111.66 2qbe n PHE 2 Ca 0.00 1.30 -0.33 0.00 -0.05 0.00 0.00 57.45 58.37 2qbe n PHE 2 Cb 0.00 -3.73 -0.06 0.00 -0.94 0.00 0.00 39.48 34.74 2qbe n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qbe s THR 3 N -2.55 4.49 -0.30 4.37 -4.23 -1.24 0.37 115.64 116.54 2qbe s THR 3 Ca 0.21 1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 62.00 2qbe s THR 3 Cb -0.05 -3.62 0.12 0.00 1.34 0.00 0.00 72.50 70.29 2qbe s THR 3 CO 0.79 -0.35 0.20 -0.63 -0.54 0.00 0.00 174.62 174.09 2qbe s ILE 4 N -2.20 -0.13 -1.00 2.99 1.01 0.21 -4.89 121.20 117.18 2qbe s ILE 4 Ca 0.59 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 2qbe s ILE 4 Cb -0.09 -0.98 -0.09 0.00 0.01 0.00 0.00 42.46 41.31 2qbe s ILE 4 CO 0.17 -0.70 2.00 0.54 0.00 0.00 0.00 174.94 176.95 2qbe s ASN 5 N 1.95 4.83 0.47 3.58 4.22 -1.26 -0.91 114.94 127.82 2qbe s ASN 5 Ca 0.11 -0.97 0.05 0.00 -2.14 0.00 0.00 52.86 49.91 2qbe s ASN 5 Cb -0.17 -2.57 -0.02 0.00 1.28 0.00 0.00 41.25 39.77 2qbe s ASN 5 CO -0.28 -3.15 0.17 0.00 -2.04 0.00 0.00 177.10 171.80 2qbe s ALA 6 N 11.48 3.91 -0.07 3.54 0.00 -0.67 -4.25 121.76 135.70 2qbe s ALA 6 Ca 0.73 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2qbe s ALA 6 Cb -0.05 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.87 2qbe s ALA 6 CO 0.07 -0.19 0.83 -1.83 0.00 0.00 0.00 175.76 174.64 2qbe s GLU 7 N -3.97 0.85 0.37 0.00 -1.05 -1.26 -3.87 118.70 109.77 2qbe s GLU 7 Ca 0.29 0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.89 2qbe s GLU 7 Cb 0.02 0.40 -0.11 0.00 -0.44 0.00 0.00 34.13 34.00 2qbe s GLU 7 CO 0.16 -0.29 1.41 0.28 0.95 0.00 0.00 175.26 177.76 2qbe n VAL 8 N 0.55 2.04 -2.40 1.83 0.31 -1.26 0.66 118.33 120.07 2qbe n VAL 8 Ca -0.14 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.37 2qbe n VAL 8 Cb 0.59 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 2qbe n VAL 8 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbe s ARG 9 N -2.04 3.82 0.07 5.55 0.52 -0.73 -4.73 118.95 121.41 2qbe s ARG 9 Ca 0.54 1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 56.83 2qbe s ARG 9 Cb -0.51 -2.11 -0.27 0.00 0.52 0.00 0.00 34.95 32.58 2qbe s ARG 9 CO 0.63 -0.39 1.13 -0.22 0.02 0.00 0.00 175.30 176.47 2qbe h LYS 10 N 1.05 0.22 0.00 3.54 3.64 -1.93 -3.48 116.57 119.61 2qbe h LYS 10 Ca -0.48 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 2qbe h LYS 10 Cb 1.20 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2qbe h LYS 10 CO 0.60 1.17 0.00 0.39 -2.27 0.00 0.00 179.45 179.34 2qbe n GLU 11 N -3.49 0.37 -3.74 1.90 1.02 -1.26 -5.19 120.64 110.26 2qbe n GLU 11 Ca -0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 2qbe n GLU 11 Cb 1.01 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.40 2qbe n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qbe s GLN 12 N -1.97 1.45 0.00 3.49 1.03 -1.26 -4.91 119.66 117.49 2qbe s GLN 12 Ca 0.00 -0.86 0.00 0.00 0.04 0.00 0.00 55.36 54.54 2qbe s GLN 12 Cb 0.00 0.54 0.00 0.00 0.03 0.00 0.00 33.01 33.58 2qbe s GLN 12 CO 0.00 -0.63 0.00 0.41 -2.54 0.00 0.00 175.29 172.53 2qbe n GLY 13 N -0.37 0.75 0.36 2.60 0.00 -1.26 -4.42 105.19 102.85 2qbe n GLY 13 Ca -0.09 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 2qbe n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbe h LYS 14 N 0.00 -0.39 0.00 1.61 3.64 -2.01 -1.39 116.57 118.03 2qbe h LYS 14 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qbe h LYS 14 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2qbe h LYS 14 CO 0.00 -0.26 0.00 0.41 -2.27 0.00 0.00 179.45 177.33 2qbe n GLY 15 N -1.42 -3.06 0.46 5.01 0.00 -1.26 -1.29 105.19 103.64 2qbe n GLY 15 Ca -0.03 0.44 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 2qbe n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe h ALA 16 N -1.48 -0.94 -0.83 4.61 0.00 -1.76 -2.10 119.26 116.77 2qbe h ALA 16 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2qbe h ALA 16 Cb 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 2qbe h ALA 16 CO 0.00 -1.10 -0.52 0.77 0.00 0.00 0.00 179.25 178.40 2qbe h SER 17 N -0.65 -1.87 -0.94 0.00 0.02 -1.19 0.19 113.55 109.10 2qbe h SER 17 Ca 0.01 0.30 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 2qbe h SER 17 Cb 0.70 0.84 -0.06 0.00 0.14 0.00 0.00 62.40 64.02 2qbe h SER 17 CO -0.36 -0.29 0.61 -0.09 -1.14 0.00 0.00 176.83 175.56 2qbe h ARG 18 N -0.10 1.10 -0.48 3.45 9.65 -1.00 -1.15 114.38 125.84 2qbe h ARG 18 Ca 0.18 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 2qbe h ARG 18 Cb 0.50 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2qbe h ARG 18 CO -0.85 0.73 0.10 0.00 2.80 0.00 0.00 179.97 182.75 2qbe h ARG 19 N 1.13 0.74 -0.63 0.20 3.08 -0.26 -2.84 114.38 115.79 2qbe h ARG 19 Ca 0.40 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2qbe h ARG 19 Cb 0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2qbe h ARG 19 CO -0.15 0.68 0.36 -0.07 -1.07 0.00 0.00 179.97 179.71 2qbe h LEU 20 N 0.71 0.78 -0.60 3.04 3.38 0.52 -1.72 115.31 121.43 2qbe h LEU 20 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qbe h LEU 20 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qbe h LEU 20 CO 0.00 0.64 0.00 0.54 0.09 0.00 0.00 178.44 179.71 2qbe n ARG 21 N -4.56 0.14 0.21 1.13 1.74 -0.94 -1.83 116.66 112.55 2qbe n ARG 21 Ca 0.05 0.41 0.07 0.00 -0.77 0.00 0.00 57.85 57.61 2qbe n ARG 21 Cb 0.08 -1.79 0.46 0.00 -1.02 0.00 0.00 32.46 30.19 2qbe n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbe h ALA 22 N 2.28 1.16 -0.48 7.54 0.00 -1.20 -2.74 119.26 125.81 2qbe h ALA 22 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 2qbe h ALA 22 Cb 0.30 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.84 2qbe h ALA 22 CO 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 2qbe n ALA 23 N -2.32 4.64 0.00 0.00 0.00 -0.76 -4.98 120.51 117.10 2qbe n ALA 23 Ca -0.01 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2qbe n ALA 23 Cb 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2qbe n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbe n ASN 24 N -0.99 0.00 -4.45 0.00 4.13 -1.04 -4.88 115.26 108.03 2qbe n ASN 24 Ca 0.37 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 56.19 2qbe n ASN 24 Cb 0.93 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 39.04 2qbe n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbe n LYS 25 N 0.00 0.17 -3.78 3.52 5.02 -1.19 -3.87 118.16 118.03 2qbe n LYS 25 Ca 0.00 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 2qbe n LYS 25 Cb 0.00 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 2qbe n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qbe s PHE 26 N 8.64 3.58 1.15 2.13 -0.12 -1.01 -3.08 117.98 129.27 2qbe s PHE 26 Ca 1.28 0.56 -0.15 0.00 -0.05 0.00 0.00 56.93 58.56 2qbe s PHE 26 Cb -1.17 -1.98 0.26 0.00 -0.63 0.00 0.00 43.02 39.50 2qbe s PHE 26 CO 0.50 0.63 1.05 -1.25 -0.05 0.00 0.00 175.22 176.11 2qbe s PRO 27 N -1.67 -0.78 0.00 1.99 0.04 -1.25 -3.38 135.00 129.94 2qbe s PRO 27 Ca 0.26 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2qbe s PRO 27 Cb -0.13 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2qbe s PRO 27 CO 0.15 -3.53 0.00 0.00 0.04 0.00 0.00 177.00 173.66 2qbe n ALA 28 N -4.72 0.00 -3.04 8.56 0.00 -0.92 -3.78 120.51 116.62 2qbe n ALA 28 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2qbe n ALA 28 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 2qbe n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qbe s ILE 29 N -2.00 0.08 -0.50 0.00 -5.25 -1.17 -2.70 121.20 109.67 2qbe s ILE 29 Ca 0.00 -0.69 0.03 0.00 -0.99 0.00 0.00 60.65 59.00 2qbe s ILE 29 Cb 0.00 -0.77 0.14 0.00 2.95 0.00 0.00 42.46 44.78 2qbe s ILE 29 CO 0.00 -0.38 0.29 -0.63 -1.79 0.00 0.00 174.94 172.43 2qbe s ILE 30 N -2.04 1.93 0.35 8.37 1.01 0.13 -1.43 121.20 129.51 2qbe s ILE 30 Ca -0.09 -3.05 0.08 0.00 0.00 0.00 0.00 60.65 57.59 2qbe s ILE 30 Cb -0.03 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2qbe s ILE 30 CO -0.01 -0.90 0.25 -0.72 0.00 0.00 0.00 174.94 173.57 2qbe s TYR 31 N -0.12 2.81 -0.32 3.97 -0.85 -0.66 -1.40 117.35 120.78 2qbe s TYR 31 Ca 0.19 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 2qbe s TYR 31 Cb -0.21 -1.80 0.00 0.00 0.38 0.00 0.00 41.96 40.34 2qbe s TYR 31 CO -0.03 0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.60 2qbe n GLY 32 N -1.32 0.35 7.00 5.49 0.00 -1.26 0.11 105.19 115.56 2qbe n GLY 32 Ca -0.02 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2qbe n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbe n GLY 33 N -0.16 2.58 0.17 -0.02 0.00 -1.26 -4.10 105.19 102.40 2qbe n GLY 33 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2qbe n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 34 N 13.08 0.57 -1.83 1.61 5.02 -1.26 -5.00 118.16 130.35 2qbe n LYS 34 Ca 0.00 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 2qbe n LYS 34 Cb 0.00 -1.45 0.05 0.00 -0.02 0.00 0.00 35.03 33.62 2qbe n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2qbe s GLU 35 N -2.48 2.70 0.70 1.97 -1.05 -1.26 -4.99 118.70 114.29 2qbe s GLU 35 Ca -0.35 1.91 -0.14 0.00 -0.15 0.00 0.00 54.97 56.24 2qbe s GLU 35 Cb 0.12 -1.88 0.02 0.00 -0.44 0.00 0.00 34.13 31.95 2qbe s GLU 35 CO 0.50 -1.44 1.12 0.00 0.95 0.00 0.00 175.26 176.39 2qbe s ALA 36 N -1.56 2.33 0.44 -0.84 0.00 -1.26 -4.46 121.76 116.42 2qbe s ALA 36 Ca 0.79 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 2qbe s ALA 36 Cb -0.33 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 2qbe s ALA 36 CO 0.37 -1.52 0.68 -2.30 0.00 0.00 0.00 175.76 172.99 2qbe n PRO 37 N -2.72 0.76 -3.99 0.00 -0.02 -1.26 -4.90 135.00 122.88 2qbe n PRO 37 Ca 0.11 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 2qbe n PRO 37 Cb 0.52 -1.68 -0.15 0.00 -0.02 0.00 0.00 33.50 32.17 2qbe n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qbe s LEU 38 N 0.95 2.78 -0.49 2.45 2.96 -0.49 -4.91 118.68 121.92 2qbe s LEU 38 Ca 0.64 -0.63 -0.23 0.00 -0.22 0.00 0.00 54.13 53.69 2qbe s LEU 38 Cb -0.57 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.51 2qbe s LEU 38 CO 0.57 -0.05 0.81 0.00 -1.32 0.00 0.00 176.35 176.36 2qbe s ALA 39 N 1.37 3.26 0.26 5.97 0.00 -1.26 -0.70 121.76 130.67 2qbe s ALA 39 Ca 0.04 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 50.91 2qbe s ALA 39 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2qbe s ALA 39 CO -0.06 -2.10 -0.17 0.96 0.00 0.00 0.00 175.76 174.39 2qbe s ILE 40 N 3.42 2.66 -0.58 0.00 -0.00 -1.10 -1.78 121.20 123.82 2qbe s ILE 40 Ca 0.28 -2.25 0.06 0.00 -0.00 0.00 0.00 60.65 58.73 2qbe s ILE 40 Cb -0.13 -2.39 0.22 0.00 -0.00 0.00 0.00 42.46 40.16 2qbe s ILE 40 CO 0.20 -0.35 0.60 -1.84 -0.00 0.00 0.00 174.94 173.54 2qbe n GLU 41 N -0.55 1.74 -1.68 0.37 0.28 0.21 -2.15 120.64 118.86 2qbe n GLU 41 Ca -0.06 -4.17 -0.34 0.00 -0.16 0.00 0.00 57.16 52.43 2qbe n GLU 41 Cb 0.59 -1.99 0.06 0.00 1.43 0.00 0.00 31.44 31.54 2qbe n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qbe s LEU 42 N -1.71 3.42 0.70 -1.84 2.34 -1.22 -4.41 118.68 115.96 2qbe s LEU 42 Ca 0.35 2.21 -0.15 0.00 0.06 0.00 0.00 54.13 56.59 2qbe s LEU 42 Cb 0.10 -4.57 0.02 0.00 -0.56 0.00 0.00 46.19 41.18 2qbe s LEU 42 CO -0.09 -1.86 1.15 -0.62 -1.06 0.00 0.00 176.35 173.87 2qbe s ASP 43 N -2.18 4.63 0.00 1.48 -1.08 -1.26 -2.41 116.67 115.85 2qbe s ASP 43 Ca 0.72 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.91 2qbe s ASP 43 Cb -0.25 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2qbe s ASP 43 CO 0.41 -1.96 0.00 1.57 0.52 0.00 0.00 175.17 175.71 2qbe n HIS 44 N -2.62 0.00 -0.30 -5.34 -0.00 -1.25 -3.37 115.22 102.35 2qbe n HIS 44 Ca 0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.00 2qbe n HIS 44 Cb 0.51 -0.21 0.31 0.00 -0.00 0.00 0.00 29.99 30.60 2qbe n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qbe n ASP 45 N -1.34 -0.02 0.45 0.26 8.00 -1.26 0.11 116.55 122.75 2qbe n ASP 45 Ca 0.00 1.47 -0.18 0.00 0.71 0.00 0.00 54.79 56.80 2qbe n ASP 45 Cb 0.00 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 2qbe n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qbe h LYS 46 N 0.00 -1.10 -0.53 -1.24 6.56 -1.99 -2.64 116.57 115.62 2qbe h LYS 46 Ca 0.57 0.08 -0.05 0.00 -1.06 0.00 0.00 60.65 60.19 2qbe h LYS 46 Cb 1.27 0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 33.15 2qbe h LYS 46 CO -0.79 -0.73 0.12 0.28 -2.06 0.00 0.00 179.45 176.27 2qbe h VAL 47 N -1.18 1.22 -0.58 0.50 2.07 -0.97 -2.92 116.25 114.39 2qbe h VAL 47 Ca -0.12 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2qbe h VAL 47 Cb 0.88 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2qbe h VAL 47 CO 0.19 0.30 0.27 -0.03 0.02 0.00 0.00 177.57 178.32 2qbe h MET 48 N 0.78 0.48 0.00 1.57 1.85 0.85 -0.92 114.93 119.54 2qbe h MET 48 Ca 0.17 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.20 2qbe h MET 48 Cb 0.30 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.21 2qbe h MET 48 CO -0.00 0.32 -0.14 -0.91 -0.40 0.00 0.00 176.91 175.77 2qbe h ASN 49 N 0.49 0.00 0.18 1.39 2.35 -1.33 -3.25 115.58 115.42 2qbe h ASN 49 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 2qbe h ASN 49 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2qbe h ASN 49 CO -0.23 0.14 -0.08 0.24 -1.65 0.00 0.00 177.43 175.85 2qbe h MET 50 N 0.00 -0.23 0.00 0.81 2.86 -1.01 -3.01 114.93 114.34 2qbe h MET 50 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2qbe h MET 50 Cb 0.75 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2qbe h MET 50 CO 0.02 0.18 0.08 0.00 1.06 0.00 0.00 176.91 178.25 2qbe n GLN 51 N -4.97 0.07 -0.06 1.72 -0.00 -0.80 -2.24 117.38 111.10 2qbe n GLN 51 Ca -0.08 0.54 -0.08 0.00 -0.00 0.00 0.00 57.00 57.38 2qbe n GLN 51 Cb 0.26 -1.82 -0.02 0.00 -0.00 0.00 0.00 30.24 28.66 2qbe n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbe h ALA 52 N 1.74 0.21 -2.05 2.61 0.00 -1.57 -3.39 119.26 116.80 2qbe h ALA 52 Ca 0.00 0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.41 2qbe h ALA 52 Cb 0.17 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qbe h ALA 52 CO 0.00 -0.42 1.05 0.21 0.00 0.00 0.00 179.25 180.09 2qbe s LYS 53 N -6.19 3.92 0.51 0.00 2.36 -0.95 -4.87 119.74 114.53 2qbe s LYS 53 Ca -0.13 1.59 0.38 0.00 -2.55 0.00 0.00 55.97 55.26 2qbe s LYS 53 Cb 0.11 -3.95 1.55 0.00 -1.05 0.00 0.00 37.83 34.48 2qbe s LYS 53 CO 0.69 -1.12 1.69 0.00 1.55 0.00 0.00 175.35 178.16 2qbe h ALA 54 N 9.87 3.21 0.00 3.13 0.00 -1.89 0.97 119.26 134.56 2qbe h ALA 54 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qbe h ALA 54 Cb 1.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qbe h ALA 54 CO 1.00 -1.69 0.00 0.39 0.00 0.00 0.00 179.25 178.95 2qbe n GLU 55 N -4.24 0.13 -0.28 0.00 4.71 -1.26 -2.71 120.64 116.98 2qbe n GLU 55 Ca 0.34 0.48 -0.01 0.00 -0.01 0.00 0.00 57.16 57.97 2qbe n GLU 55 Cb 1.51 -1.81 0.12 0.00 -1.01 0.00 0.00 31.44 30.24 2qbe n GLU 55 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qbe h PHE 56 N 0.00 0.91 -0.31 -0.32 3.57 0.72 -0.26 116.94 121.24 2qbe h PHE 56 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qbe h PHE 56 Cb 0.18 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2qbe h PHE 56 CO 0.00 0.48 0.00 0.66 -2.23 0.00 0.00 178.31 177.22 2qbe n TYR 57 N -4.65 0.48 0.00 0.41 4.02 -1.10 -4.46 117.16 111.86 2qbe n TYR 57 Ca 0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2qbe n TYR 57 Cb 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 2qbe n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qbe n SER 58 N 0.40 0.00 -4.72 7.72 7.64 -0.21 -4.90 113.62 119.55 2qbe n SER 58 Ca 0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 2qbe n SER 58 Cb 0.32 -0.10 0.11 0.00 -1.01 0.00 0.00 64.21 63.53 2qbe n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qbe s GLU 59 N -0.54 1.91 0.69 1.43 -6.30 -0.63 -4.96 118.70 110.30 2qbe s GLU 59 Ca 0.00 1.59 -0.17 0.00 -2.50 0.00 0.00 54.97 53.90 2qbe s GLU 59 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 34.13 32.31 2qbe s GLU 59 CO 0.00 -1.98 1.13 0.28 0.02 0.00 0.00 175.26 174.72 2qbe n VAL 60 N -3.21 3.74 -4.30 3.70 0.31 -1.26 -4.86 118.33 112.44 2qbe n VAL 60 Ca 0.12 -0.42 -0.27 0.00 -0.01 0.00 0.00 64.34 63.76 2qbe n VAL 60 Cb 0.51 -1.28 -0.10 0.00 -0.91 0.00 0.00 33.84 32.06 2qbe n VAL 60 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2qbe s LEU 61 N -3.81 2.88 -0.19 7.52 1.43 -0.82 -4.65 118.68 121.04 2qbe s LEU 61 Ca 0.78 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2qbe s LEU 61 Cb -0.36 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2qbe s LEU 61 CO 0.46 0.12 -0.07 0.42 0.23 0.00 0.00 176.35 177.51 2qbe s THR 62 N -1.57 1.40 -0.21 5.49 -4.23 0.16 -1.19 115.64 115.47 2qbe s THR 62 Ca 0.23 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2qbe s THR 62 Cb -0.09 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 2qbe s THR 62 CO 0.14 0.11 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.64 2qbe s ILE 63 N 1.50 3.35 -0.29 2.99 1.09 -1.26 0.64 121.20 129.21 2qbe s ILE 63 Ca -0.01 -0.50 -0.10 0.00 -1.10 0.00 0.00 60.65 58.94 2qbe s ILE 63 Cb -0.16 -2.51 -0.03 0.00 -1.06 0.00 0.00 42.46 38.70 2qbe s ILE 63 CO -0.08 0.43 0.15 -0.69 -0.10 0.00 0.00 174.94 174.66 2qbe s VAL 64 N 1.39 4.83 0.03 2.92 1.01 -0.09 -2.37 120.40 128.11 2qbe s VAL 64 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2qbe s VAL 64 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2qbe s VAL 64 CO -0.03 0.18 -0.07 0.68 0.00 0.00 0.00 175.10 175.86 2qbe s VAL 65 N 1.67 0.52 0.00 2.92 -7.23 -0.44 -1.67 120.40 116.18 2qbe s VAL 65 Ca 0.06 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2qbe s VAL 65 Cb -0.16 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.23 2qbe s VAL 65 CO 0.08 -0.22 0.00 -0.67 -0.31 0.00 0.00 175.10 173.98 2qbe n ASP 66 N 1.93 0.00 0.00 4.85 -0.08 -1.26 -2.55 116.55 119.43 2qbe n ASP 66 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2qbe n ASP 66 Cb 0.56 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.79 2qbe n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qbe n GLY 67 N -0.78 2.49 0.00 0.27 0.00 -1.26 -5.13 105.19 100.78 2qbe n GLY 67 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2qbe n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbe n LYS 68 N 0.00 0.68 -3.77 1.61 2.85 -1.06 -5.02 118.16 113.45 2qbe n LYS 68 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2qbe n LYS 68 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2qbe n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qbe s GLU 69 N -1.41 0.62 -0.07 -1.58 1.03 -1.26 -1.33 118.70 114.70 2qbe s GLU 69 Ca 0.00 -0.18 0.15 0.00 0.03 0.00 0.00 54.97 54.97 2qbe s GLU 69 Cb 0.00 0.28 -0.22 0.00 -0.80 0.00 0.00 34.13 33.39 2qbe s GLU 69 CO 0.00 -0.17 0.22 0.44 -1.33 0.00 0.00 175.26 174.42 2qbe n ILE 70 N 1.41 0.43 -2.95 1.83 -0.00 -1.00 -5.00 119.36 114.07 2qbe n ILE 70 Ca -0.21 -0.47 -0.01 0.00 -0.00 0.00 0.00 62.75 62.06 2qbe n ILE 70 Cb 0.56 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.64 40.01 2qbe n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qbe n LYS 71 N -2.26 -2.04 -4.37 6.28 5.02 -1.26 -4.74 118.16 114.79 2qbe n LYS 71 Ca -0.12 1.83 -0.20 0.00 -2.02 0.00 0.00 58.31 57.80 2qbe n LYS 71 Cb 0.65 -2.65 -0.09 0.00 -0.02 0.00 0.00 35.03 32.93 2qbe n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qbe s VAL 72 N -0.82 0.40 0.52 -0.18 -7.23 -0.34 -4.16 120.40 108.59 2qbe s VAL 72 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2qbe s VAL 72 Cb 0.00 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2qbe s VAL 72 CO 0.32 0.00 0.75 -0.54 -0.31 0.00 0.00 175.10 175.31 2qbe s LYS 73 N -3.78 2.76 -0.21 4.82 1.02 -1.06 -1.95 119.74 121.34 2qbe s LYS 73 Ca 0.34 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.62 2qbe s LYS 73 Cb 0.05 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 2qbe s LYS 73 CO 0.17 -0.55 0.12 0.00 -0.92 0.00 0.00 175.35 174.17 2qbe s ALA 74 N -2.71 3.58 0.00 5.17 0.00 -1.26 -1.29 121.76 125.26 2qbe s ALA 74 Ca 0.54 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2qbe s ALA 74 Cb -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2qbe s ALA 74 CO 0.39 0.07 0.00 1.04 0.00 0.00 0.00 175.76 177.26 2qbe n GLN 75 N 3.73 0.00 -4.59 0.00 1.13 0.25 -4.87 117.38 113.03 2qbe n GLN 75 Ca -0.16 0.10 -0.28 0.00 -1.94 0.00 0.00 57.00 54.72 2qbe n GLN 75 Cb 0.52 -0.44 -0.08 0.00 0.11 0.00 0.00 30.24 30.35 2qbe n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qbe s ASP 76 N -2.16 3.22 -0.21 1.08 3.68 -1.20 -4.95 116.67 116.13 2qbe s ASP 76 Ca 0.00 -1.72 -0.14 0.00 2.13 0.00 0.00 52.55 52.82 2qbe s ASP 76 Cb 0.00 0.61 0.06 0.00 -1.45 0.00 0.00 42.92 42.14 2qbe s ASP 76 CO 0.00 -0.97 0.53 0.54 0.13 0.00 0.00 175.17 175.40 2qbe s VAL 77 N -3.10 -0.01 -0.83 1.11 0.11 -1.26 -0.10 120.40 116.31 2qbe s VAL 77 Ca 0.17 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.14 2qbe s VAL 77 Cb 0.01 -0.77 0.22 0.00 -1.53 0.00 0.00 36.38 34.31 2qbe s VAL 77 CO 0.11 0.02 0.76 -1.10 -3.33 0.00 0.00 175.10 171.56 2qbe s GLN 78 N 1.21 3.53 0.61 1.54 -0.21 0.88 -4.96 119.66 122.26 2qbe s GLN 78 Ca -0.07 -2.56 -0.15 0.00 0.02 0.00 0.00 55.36 52.60 2qbe s GLN 78 Cb -0.06 -4.35 -0.03 0.00 1.00 0.00 0.00 33.01 29.57 2qbe s GLN 78 CO -0.12 -1.27 1.05 -0.98 -2.12 0.00 0.00 175.29 171.85 2qbe s ARG 79 N -0.04 3.32 0.50 2.91 1.70 -1.26 0.20 118.95 126.29 2qbe s ARG 79 Ca 0.19 1.10 -0.23 0.00 -0.47 0.00 0.00 55.73 56.32 2qbe s ARG 79 Cb -0.11 -2.04 -0.06 0.00 -0.57 0.00 0.00 34.95 32.17 2qbe s ARG 79 CO -0.08 -0.80 1.39 -1.58 -1.08 0.00 0.00 175.30 173.15 2qbe s HIS 80 N -2.64 2.37 0.25 5.89 5.65 0.24 -4.74 115.29 122.31 2qbe s HIS 80 Ca 0.61 1.32 -0.03 0.00 0.25 0.00 0.00 55.06 57.21 2qbe s HIS 80 Cb -0.15 -3.85 0.48 0.00 -1.18 0.00 0.00 32.58 27.88 2qbe s HIS 80 CO 0.41 -2.91 1.73 -1.35 -0.65 0.00 0.00 174.74 171.97 2qbe h PRO 81 N 1.87 0.45 0.00 2.88 0.11 -1.94 -3.37 132.00 132.00 2qbe h PRO 81 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qbe h PRO 81 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qbe h PRO 81 CO 0.59 0.30 0.00 2.48 -0.21 0.00 0.00 178.00 181.16 2qbe n TYR 82 N -4.99 0.00 -4.24 0.65 0.18 -1.26 -5.09 117.16 102.41 2qbe n TYR 82 Ca 0.15 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 2qbe n TYR 82 Cb 0.43 0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.30 2qbe n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qbe s LYS 83 N 0.00 3.58 -0.89 -3.48 1.02 -1.26 -5.01 119.74 113.71 2qbe s LYS 83 Ca 0.00 -0.42 -0.25 0.00 0.02 0.00 0.00 55.97 55.32 2qbe s LYS 83 Cb 0.00 -2.99 -0.24 0.00 -0.52 0.00 0.00 37.83 34.08 2qbe s LYS 83 CO 0.00 0.40 1.97 -2.30 -0.92 0.00 0.00 175.35 174.50 2qbe n PRO 84 N 3.10 0.07 -3.54 -1.68 -0.02 -1.26 -4.16 135.00 127.51 2qbe n PRO 84 Ca -0.17 -1.50 -0.07 0.00 -2.02 0.00 0.00 63.50 59.73 2qbe n PRO 84 Cb 0.53 -3.57 -0.02 0.00 -0.02 0.00 0.00 33.50 30.41 2qbe n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbe s LYS 85 N 8.11 0.64 0.09 -0.52 -2.85 -1.26 -5.05 119.74 118.91 2qbe s LYS 85 Ca 0.74 -0.22 -0.03 0.00 -1.00 0.00 0.00 55.97 55.47 2qbe s LYS 85 Cb -0.02 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.99 2qbe s LYS 85 CO 0.19 -0.27 0.29 -0.51 0.10 0.00 0.00 175.35 175.15 2qbe s LEU 86 N -2.30 4.32 -0.08 2.77 1.43 -1.26 0.80 118.68 124.35 2qbe s LEU 86 Ca 0.06 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2qbe s LEU 86 Cb -0.01 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 2qbe s LEU 86 CO -0.07 0.12 -0.03 0.00 0.23 0.00 0.00 176.35 176.60 2qbe n GLN 87 N 0.25 1.43 -3.55 1.70 6.02 0.13 -4.78 117.38 118.57 2qbe n GLN 87 Ca -0.04 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.82 2qbe n GLN 87 Cb 0.51 -1.18 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 2qbe n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qbe s HIS 88 N -2.18 -0.63 0.02 1.08 5.04 -1.05 -3.90 115.29 113.67 2qbe s HIS 88 Ca -0.08 1.18 0.01 0.00 -1.54 0.00 0.00 55.06 54.62 2qbe s HIS 88 Cb 0.03 0.39 -0.01 0.00 0.04 0.00 0.00 32.58 33.02 2qbe s HIS 88 CO 0.25 -0.52 -0.03 0.96 -2.34 0.00 0.00 174.74 173.06 2qbe s ILE 89 N -0.86 0.19 -0.16 0.89 -5.25 -1.25 0.30 121.20 115.05 2qbe s ILE 89 Ca -0.07 -0.64 -0.05 0.00 -0.99 0.00 0.00 60.65 58.90 2qbe s ILE 89 Cb -0.01 -0.27 -0.03 0.00 2.95 0.00 0.00 42.46 45.10 2qbe s ILE 89 CO 0.07 -0.29 0.00 -1.81 -1.79 0.00 0.00 174.94 171.11 2qbe s ASP 90 N -0.98 5.12 -0.15 4.36 1.11 0.86 -3.03 116.67 123.95 2qbe s ASP 90 Ca -0.09 -0.04 0.02 0.00 0.18 0.00 0.00 52.55 52.61 2qbe s ASP 90 Cb -0.07 -1.84 0.02 0.00 1.07 0.00 0.00 42.92 42.10 2qbe s ASP 90 CO -0.00 0.18 -0.20 -0.36 1.18 0.00 0.00 175.17 175.97 2qbe s PHE 91 N 0.30 2.58 -0.18 4.23 2.99 -0.51 0.86 117.98 128.26 2qbe s PHE 91 Ca -0.01 -1.41 -0.16 0.00 0.00 0.00 0.00 56.93 55.34 2qbe s PHE 91 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 43.02 41.05 2qbe s PHE 91 CO 0.02 -0.69 0.41 0.08 -0.00 0.00 0.00 175.22 175.04 2qbe s VAL 92 N 1.11 5.21 -0.37 -0.44 1.01 -0.41 -1.65 120.40 124.86 2qbe s VAL 92 Ca -0.00 0.76 -0.38 0.00 0.00 0.00 0.00 61.98 62.35 2qbe s VAL 92 Cb -0.14 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.36 2qbe s VAL 92 CO -0.08 0.29 2.10 0.54 0.00 0.00 0.00 175.10 177.95 2qbe n ARG 93 N 4.16 0.86 0.00 2.72 5.12 0.30 -2.57 116.66 127.25 2qbe n ARG 93 Ca -0.08 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2qbe n ARG 93 Cb 0.51 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 2qbe n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70