#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n GLN 2 N 0.00 0.00 -1.58 2.12 1.13 -1.26 0.20 117.38 117.99 2qbg n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2qbg n GLN 2 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 30.24 30.22 2qbg n GLN 2 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2qbg n VAL 3 N -1.16 -4.42 -3.22 5.09 0.24 -1.26 -4.08 118.33 109.51 2qbg n VAL 3 Ca 0.00 2.05 -0.35 0.00 -2.04 0.00 0.00 64.34 64.00 2qbg n VAL 3 Cb 0.00 -2.98 -0.06 0.00 -1.47 0.00 0.00 33.84 29.33 2qbg n VAL 3 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2qbg s ILE 4 N -4.19 4.71 0.76 1.34 -4.36 0.20 -3.54 121.20 116.12 2qbg s ILE 4 Ca 0.00 1.05 -0.12 0.00 -0.26 0.00 0.00 60.65 61.32 2qbg s ILE 4 Cb 0.00 -3.79 0.05 0.00 1.25 0.00 0.00 42.46 39.97 2qbg s ILE 4 CO 0.00 0.20 1.14 -0.76 0.24 0.00 0.00 174.94 175.76 2qbg s LEU 5 N -2.03 2.68 0.00 0.37 1.43 0.26 -0.79 118.68 120.60 2qbg s LEU 5 Ca 0.41 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2qbg s LEU 5 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qbg s LEU 5 CO 0.20 -1.66 0.48 0.18 0.23 0.00 0.00 176.35 175.78 2qbg n LEU 6 N -3.19 0.00 0.00 1.79 4.32 -0.59 -2.77 117.00 116.56 2qbg n LEU 6 Ca 0.07 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2qbg n LEU 6 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2qbg n LEU 6 CO 0.57 0.16 0.00 -0.67 -1.22 0.00 0.00 177.39 176.23 2qbg n ASP 7 N 0.00 0.00 0.00 -1.43 2.03 -1.25 -4.77 116.55 111.13 2qbg n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qbg n ASP 7 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2qbg n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qbg n LYS 8 N 0.00 0.00 -2.52 -0.67 4.81 -1.26 -3.84 118.16 114.68 2qbg n LYS 8 Ca 0.00 0.07 -0.02 0.00 -0.87 0.00 0.00 58.31 57.49 2qbg n LYS 8 Cb 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 35.03 34.10 2qbg n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbg n VAL 9 N -0.50 -9.88 0.00 3.15 0.31 -1.26 -2.53 118.33 107.62 2qbg n VAL 9 Ca 0.00 2.20 0.00 0.00 -0.01 0.00 0.00 64.34 66.53 2qbg n VAL 9 Cb 0.00 -5.23 0.00 0.00 -0.91 0.00 0.00 33.84 27.70 2qbg n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbg n ALA 10 N 1.93 0.00 0.42 3.52 0.00 -1.26 -0.99 120.51 124.13 2qbg n ALA 10 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qbg n ALA 10 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2qbg n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbg n ASN 11 N 0.00 2.90 0.00 0.00 4.13 -1.26 -4.54 115.26 116.49 2qbg n ASN 11 Ca 0.00 -1.73 0.00 0.00 1.68 0.00 0.00 54.58 54.53 2qbg n ASN 11 Cb 0.00 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 2qbg n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbg n LEU 12 N 0.91 0.00 -3.17 3.41 -0.00 -0.16 -5.15 117.00 112.84 2qbg n LEU 12 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 2qbg n LEU 12 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2qbg n LEU 12 CO 0.00 0.00 0.09 -0.83 -0.00 0.00 0.00 177.39 176.65 2qbg s GLY 13 N 0.00 -1.09 -0.03 1.47 0.00 -1.05 -4.04 107.32 102.58 2qbg s GLY 13 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 44.72 45.93 2qbg s GLY 13 CO 0.00 3.50 0.92 1.44 0.00 0.00 0.00 173.10 178.96 2qbg n SER 14 N 5.41 0.77 -2.39 1.64 7.64 -1.25 -4.90 113.62 120.54 2qbg n SER 14 Ca 0.03 -2.02 -0.06 0.00 1.01 0.00 0.00 58.87 57.82 2qbg n SER 14 Cb 0.53 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2qbg n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qbg n LEU 15 N -0.38 -0.54 0.00 -3.43 -0.00 -1.26 -4.16 117.00 107.23 2qbg n LEU 15 Ca 0.04 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 2qbg n LEU 15 Cb 0.59 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2qbg n LEU 15 CO 0.00 -0.08 0.00 0.61 -0.00 0.00 0.00 177.39 177.92 2qbg n GLY 16 N -0.61 0.00 3.66 -3.96 0.00 -1.12 -4.79 105.19 98.38 2qbg n GLY 16 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2qbg n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qbg s ASP 17 N 0.00 4.61 -0.32 1.61 2.15 -1.26 -4.81 116.67 118.66 2qbg s ASP 17 Ca 0.00 -0.64 0.03 0.00 0.43 0.00 0.00 52.55 52.37 2qbg s ASP 17 Cb 0.00 -0.86 0.09 0.00 -0.30 0.00 0.00 42.92 41.85 2qbg s ASP 17 CO 0.00 -0.04 0.03 -1.58 -0.17 0.00 0.00 175.17 173.41 2qbg s GLN 18 N -3.70 1.46 -0.05 4.34 0.74 -1.26 0.92 119.66 122.09 2qbg s GLN 18 Ca 0.32 -1.64 0.05 0.00 0.05 0.00 0.00 55.36 54.14 2qbg s GLN 18 Cb -0.06 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.10 2qbg s GLN 18 CO 0.20 -0.88 -0.21 0.14 -0.55 0.00 0.00 175.29 173.99 2qbg s VAL 19 N 1.06 1.74 -0.89 1.34 -7.23 -1.23 -5.01 120.40 110.18 2qbg s VAL 19 Ca 0.07 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.11 2qbg s VAL 19 Cb -0.19 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.31 2qbg s VAL 19 CO -0.10 0.49 1.37 0.21 -0.31 0.00 0.00 175.10 176.76 2qbg s ASN 20 N -0.01 6.34 0.22 4.85 3.84 -1.25 -4.31 114.94 124.62 2qbg s ASN 20 Ca -0.05 -0.99 0.08 0.00 0.21 0.00 0.00 52.86 52.11 2qbg s ASN 20 Cb -0.13 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 2qbg s ASN 20 CO 0.03 -1.66 0.03 0.54 -2.79 0.00 0.00 177.10 173.25 2qbg s VAL 21 N 5.32 3.72 0.27 -5.21 0.11 0.13 -4.85 120.40 119.90 2qbg s VAL 21 Ca 0.41 -1.62 -0.30 0.00 -2.93 0.00 0.00 61.98 57.54 2qbg s VAL 21 Cb -0.04 -2.94 -0.13 0.00 -1.53 0.00 0.00 36.38 31.74 2qbg s VAL 21 CO 0.02 -0.25 1.35 0.29 -3.33 0.00 0.00 175.10 173.17 2qbg n LYS 22 N -0.59 1.99 0.09 1.54 5.02 -1.26 -3.91 118.16 121.04 2qbg n LYS 22 Ca -0.08 0.71 0.07 0.00 -2.02 0.00 0.00 58.31 56.98 2qbg n LYS 22 Cb 0.57 -2.32 0.34 0.00 -0.02 0.00 0.00 35.03 33.60 2qbg n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbg n ALA 23 N 1.40 1.11 0.07 7.82 0.00 -1.26 -1.39 120.51 128.27 2qbg n ALA 23 Ca 0.10 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 2qbg n ALA 23 Cb 0.32 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 2qbg n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbg h GLY 24 N 0.30 0.42 2.00 0.00 0.00 -1.97 -3.11 103.07 100.71 2qbg h GLY 24 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.25 2qbg h GLY 24 CO 0.00 0.94 -0.04 -1.82 0.00 0.00 0.00 176.54 175.62 2qbg h TYR 25 N -0.22 0.00 -1.55 5.60 3.20 -1.59 -3.35 116.97 119.06 2qbg h TYR 25 Ca -0.17 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.27 2qbg h TYR 25 Cb 1.77 0.00 0.02 0.00 1.54 0.00 0.00 36.73 40.06 2qbg h TYR 25 CO 0.18 0.04 -0.28 0.00 -1.64 0.00 0.00 178.16 176.46 2qbg s ALA 26 N -4.42 4.44 -1.12 1.82 0.00 -1.04 -2.05 121.76 119.39 2qbg s ALA 26 Ca -0.04 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2qbg s ALA 26 Cb 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2qbg s ALA 26 CO 0.55 -0.21 0.00 0.54 0.00 0.00 0.00 175.76 176.64 2qbg n ARG 27 N -1.79 -1.57 0.00 0.00 5.12 -1.26 -4.41 116.66 112.75 2qbg n ARG 27 Ca 0.06 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2qbg n ARG 27 Cb 0.59 -4.96 0.00 0.00 -1.16 0.00 0.00 32.46 26.93 2qbg n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qbg n ASN 28 N -0.56 0.00 0.15 0.55 5.03 -1.26 -4.89 115.26 114.28 2qbg n ASN 28 Ca -0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.34 2qbg n ASN 28 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2qbg n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qbg n PHE 29 N 0.00 -3.79 0.03 3.10 7.35 -1.13 -4.93 117.46 118.08 2qbg n PHE 29 Ca 0.00 1.00 0.13 0.00 -0.76 0.00 0.00 57.45 57.82 2qbg n PHE 29 Cb 0.00 2.64 0.59 0.00 0.35 0.00 0.00 39.48 43.06 2qbg n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2qbg h LEU 30 N 0.00 0.16 0.00 -2.13 3.38 -1.75 -3.34 115.31 111.64 2qbg h LEU 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qbg h LEU 30 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qbg h LEU 30 CO 0.00 0.10 0.00 0.52 0.09 0.00 0.00 178.44 179.15 2qbg n VAL 31 N -4.46 0.00 -1.15 1.22 0.31 -1.26 0.16 118.33 113.16 2qbg n VAL 31 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2qbg n VAL 31 Cb 0.37 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 2qbg n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qbg n PRO 32 N 0.00 -0.05 0.00 5.55 -0.02 -1.26 -3.50 135.00 135.72 2qbg n PRO 32 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2qbg n PRO 32 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 2qbg n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qbg n GLN 33 N -0.24 0.00 -1.02 -0.52 -0.06 -1.25 -4.37 117.38 109.91 2qbg n GLN 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2qbg n GLN 33 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2qbg n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbg n GLY 34 N 0.00 -0.11 0.00 1.69 0.00 -1.23 -5.05 105.19 100.49 2qbg n GLY 34 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2qbg n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 35 N -0.49 0.25 -3.58 1.61 4.76 -0.47 -4.98 118.16 115.26 2qbg n LYS 35 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 2qbg n LYS 35 Cb 0.15 -0.02 -0.02 0.00 -1.84 0.00 0.00 35.03 33.30 2qbg n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbg s ALA 36 N 0.00 -2.03 -0.03 7.82 0.00 0.42 -1.53 121.76 126.41 2qbg s ALA 36 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2qbg s ALA 36 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2qbg s ALA 36 CO 0.00 -0.57 -0.02 0.54 0.00 0.00 0.00 175.76 175.71 2qbg s VAL 37 N -2.35 0.27 0.43 0.00 0.11 0.03 -4.18 120.40 114.70 2qbg s VAL 37 Ca 0.08 -0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 2qbg s VAL 37 Cb -0.01 -0.32 -0.13 0.00 -1.53 0.00 0.00 36.38 34.39 2qbg s VAL 37 CO -0.05 0.14 0.38 -2.65 -3.33 0.00 0.00 175.10 169.59 2qbg n PRO 38 N 3.84 0.37 -2.84 1.54 -0.02 -1.26 0.61 135.00 137.23 2qbg n PRO 38 Ca -0.23 0.14 -0.44 0.00 -2.02 0.00 0.00 63.50 60.94 2qbg n PRO 38 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2qbg n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbg n ALA 39 N -0.99 4.08 -2.74 3.55 0.00 -1.26 -4.41 120.51 118.73 2qbg n ALA 39 Ca 0.11 -4.24 -0.39 0.00 0.00 0.00 0.00 53.44 48.92 2qbg n ALA 39 Cb 0.40 -3.07 0.01 0.00 0.00 0.00 0.00 19.45 16.80 2qbg n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbg n THR 40 N 4.49 5.57 0.00 0.00 -2.24 -1.26 -4.80 114.28 116.05 2qbg n THR 40 Ca 0.38 -5.92 0.00 0.00 -2.27 0.00 0.00 64.05 56.24 2qbg n THR 40 Cb 0.42 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2qbg n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbg n LYS 41 N 0.13 0.00 -0.34 -0.78 4.76 -1.26 -1.33 118.16 119.34 2qbg n LYS 41 Ca 0.42 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 56.02 2qbg n LYS 41 Cb 0.29 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.80 2qbg n LYS 41 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2qbg n LYS 42 N 0.00 -0.08 0.10 1.97 0.00 -1.26 0.17 118.16 119.06 2qbg n LYS 42 Ca 0.00 1.46 -0.04 0.00 0.00 0.00 0.00 58.31 59.73 2qbg n LYS 42 Cb 0.00 -2.34 0.16 0.00 0.00 0.00 0.00 35.03 32.84 2qbg n LYS 42 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2qbg h ASN 43 N 0.00 0.23 0.45 3.14 -0.73 -1.55 -2.40 115.58 114.72 2qbg h ASN 43 Ca 0.62 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.67 2qbg h ASN 43 Cb 1.32 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.85 2qbg h ASN 43 CO -0.90 0.74 0.00 2.30 -0.37 0.00 0.00 177.43 179.19 2qbg n ILE 44 N -3.91 0.08 0.20 2.57 -5.35 0.45 -3.60 119.36 109.80 2qbg n ILE 44 Ca -0.02 0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2qbg n ILE 44 Cb 0.58 -0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 37.85 2qbg n ILE 44 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2qbg h GLU 45 N 0.00 -0.54 0.00 6.28 5.08 -0.33 0.45 114.58 125.52 2qbg h GLU 45 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2qbg h GLU 45 Cb 0.22 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2qbg h GLU 45 CO 0.00 -0.23 0.00 1.19 -1.00 0.00 0.00 179.01 178.97 2qbg n PHE 46 N -5.18 0.00 0.00 4.33 0.99 -1.24 -1.44 117.46 114.93 2qbg n PHE 46 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.35 2qbg n PHE 46 Cb 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.77 2qbg n PHE 46 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2qbg n PHE 47 N -0.93 0.00 -0.27 1.38 3.72 -1.03 -4.36 117.46 115.96 2qbg n PHE 47 Ca 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.46 2qbg n PHE 47 Cb 0.01 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 2qbg n PHE 47 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qbg h GLU 48 N -0.02 0.61 -0.27 -1.08 4.22 -0.12 0.50 114.58 118.43 2qbg h GLU 48 Ca 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 2qbg h GLU 48 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2qbg h GLU 48 CO 0.00 0.40 0.06 0.00 -2.18 0.00 0.00 179.01 177.29 2qbg h ALA 49 N 1.48 1.61 0.00 2.92 0.00 -1.40 -0.92 119.26 122.96 2qbg h ALA 49 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qbg h ALA 49 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qbg h ALA 49 CO -0.31 0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.92 2qbg h ARG 50 N 0.38 0.00 0.00 0.00 -0.00 -0.76 -2.00 114.38 112.00 2qbg h ARG 50 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 2qbg h ARG 50 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2qbg h ARG 50 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.97 180.51 2qbg n ARG 51 N -2.71 0.18 0.00 0.04 1.74 0.14 -1.11 116.66 114.94 2qbg n ARG 51 Ca 0.03 0.19 0.01 0.00 -0.77 0.00 0.00 57.85 57.32 2qbg n ARG 51 Cb 0.50 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2qbg n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbg n ALA 52 N -1.71 2.40 -0.09 7.54 0.00 -1.05 -4.24 120.51 123.37 2qbg n ALA 52 Ca 0.05 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 2qbg n ALA 52 Cb 0.37 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 2qbg n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbg n GLU 53 N -0.50 0.68 -0.07 0.00 0.00 -0.76 -3.93 120.64 116.06 2qbg n GLU 53 Ca 0.01 0.19 -0.13 0.00 0.00 0.00 0.00 57.16 57.23 2qbg n GLU 53 Cb 0.05 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 29.86 2qbg n GLU 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2qbg h LEU 54 N -0.01 0.55 -1.66 4.31 3.38 -1.38 0.68 115.31 121.18 2qbg h LEU 54 Ca -0.53 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 56.94 2qbg h LEU 54 Cb 1.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2qbg h LEU 54 CO -0.04 0.91 0.03 1.21 0.09 0.00 0.00 178.44 180.64 2qbg n GLU 55 N -4.42 1.25 0.03 1.13 0.00 -1.26 -2.75 120.64 114.62 2qbg n GLU 55 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 57.16 56.83 2qbg n GLU 55 Cb 0.41 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.49 2qbg n GLU 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbg n ALA 56 N 0.19 3.00 0.07 4.31 0.00 -1.06 -4.48 120.51 122.53 2qbg n ALA 56 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 2qbg n ALA 56 Cb 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2qbg n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qbg h LYS 57 N 0.00 -0.30 0.00 0.00 1.63 -0.98 -0.73 116.57 116.19 2qbg h LYS 57 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2qbg h LYS 57 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2qbg h LYS 57 CO 0.00 -0.20 0.00 -0.07 -3.45 0.00 0.00 179.45 175.73 2qbg h LEU 58 N -0.31 0.00 -0.98 5.20 3.38 -1.70 0.67 115.31 121.57 2qbg h LEU 58 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2qbg h LEU 58 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qbg h LEU 58 CO -0.07 0.00 0.04 0.00 0.09 0.00 0.00 178.44 178.50 2qbg h ALA 59 N 2.06 1.16 -0.15 1.53 0.00 -1.21 -2.97 119.26 119.67 2qbg h ALA 59 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qbg h ALA 59 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qbg h ALA 59 CO 0.00 0.55 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 2qbg n GLU 60 N -4.24 2.94 0.04 0.00 4.07 -0.56 -4.48 120.64 118.41 2qbg n GLU 60 Ca 0.03 -1.75 0.06 0.00 -0.06 0.00 0.00 57.16 55.44 2qbg n GLU 60 Cb 0.27 -1.12 0.29 0.00 -0.06 0.00 0.00 31.44 30.82 2qbg n GLU 60 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2qbg n VAL 61 N -0.05 1.26 1.65 6.31 3.14 0.17 0.12 118.33 130.92 2qbg n VAL 61 Ca 0.05 0.38 0.14 0.00 -2.96 0.00 0.00 64.34 61.95 2qbg n VAL 61 Cb 0.33 -1.26 0.63 0.00 -1.06 0.00 0.00 33.84 32.47 2qbg n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbg n LEU 62 N -1.73 0.94 -0.06 6.55 -0.00 -1.26 -4.50 117.00 116.94 2qbg n LEU 62 Ca 0.02 -0.34 -0.02 0.00 -0.00 0.00 0.00 56.01 55.67 2qbg n LEU 62 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 43.42 43.50 2qbg n LEU 62 CO 0.10 0.17 0.20 0.00 -0.00 0.00 0.00 177.39 177.86 2qbg n ALA 63 N -0.24 -0.09 -0.14 1.47 0.00 0.32 0.48 120.51 122.31 2qbg n ALA 63 Ca 0.19 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 2qbg n ALA 63 Cb 0.25 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.83 2qbg n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 64 N -0.20 0.11 -0.65 0.00 0.00 -1.83 -2.48 119.26 114.21 2qbg h ALA 64 Ca 0.02 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2qbg h ALA 64 Cb 0.06 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 2qbg h ALA 64 CO -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.55 2qbg h ALA 65 N 1.17 0.64 -0.67 0.00 0.00 -0.30 0.33 119.26 120.43 2qbg h ALA 65 Ca 0.22 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2qbg h ALA 65 Cb 0.46 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2qbg h ALA 65 CO -0.54 -0.40 0.45 -0.91 0.00 0.00 0.00 179.25 177.85 2qbg h ASN 66 N 0.11 0.54 0.70 0.00 2.35 -0.97 -1.54 115.58 116.76 2qbg h ASN 66 Ca 0.34 0.01 -0.26 0.00 -0.55 0.00 0.00 56.30 55.84 2qbg h ASN 66 Cb 0.56 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 2qbg h ASN 66 CO -0.56 0.34 -1.35 0.00 -1.65 0.00 0.00 177.43 174.21 2qbg h ALA 67 N 1.65 0.44 -0.23 -0.83 0.00 -1.03 -3.38 119.26 115.87 2qbg h ALA 67 Ca 0.30 -1.12 0.03 0.00 0.00 0.00 0.00 54.91 54.13 2qbg h ALA 67 Cb 0.39 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2qbg h ALA 67 CO -0.10 1.30 -0.42 0.00 0.00 0.00 0.00 179.25 180.03 2qbg h ARG 68 N 0.02 -0.35 -0.76 0.00 2.47 0.62 -0.56 114.38 115.83 2qbg h ARG 68 Ca -0.15 0.02 0.21 0.00 -1.26 0.00 0.00 59.98 58.80 2qbg h ARG 68 Cb 1.91 0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 30.17 2qbg h ARG 68 CO 0.13 -0.23 0.04 0.00 0.56 0.00 0.00 179.97 180.46 2qbg n ALA 69 N -2.96 0.41 -0.05 0.04 0.00 -1.16 -0.99 120.51 115.80 2qbg n ALA 69 Ca -0.03 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.02 2qbg n ALA 69 Cb 0.27 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 2qbg n ALA 69 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbg h GLU 70 N 0.00 0.10 -0.71 0.00 -0.00 -1.59 -3.29 114.58 109.10 2qbg h GLU 70 Ca 0.47 -0.18 0.07 0.00 -0.00 0.00 0.00 59.36 59.72 2qbg h GLU 70 Cb 0.99 0.07 -0.06 0.00 -0.00 0.00 0.00 28.75 29.75 2qbg h GLU 70 CO -0.71 1.08 0.40 0.87 -0.00 0.00 0.00 179.01 180.65 2qbg h LYS 71 N -0.72 0.70 -0.89 1.06 1.57 -0.29 0.34 116.57 118.33 2qbg h LYS 71 Ca -0.22 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2qbg h LYS 71 Cb 1.40 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2qbg h LYS 71 CO -0.04 0.46 0.00 -0.89 -0.57 0.00 0.00 179.45 178.41 2qbg n ILE 72 N -4.77 0.32 -0.20 1.86 5.41 -0.16 -2.97 119.36 118.85 2qbg n ILE 72 Ca 0.10 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2qbg n ILE 72 Cb 0.19 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 2qbg n ILE 72 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2qbg n ASN 73 N 0.06 0.15 0.20 4.38 2.85 0.11 -4.73 115.26 118.27 2qbg n ASN 73 Ca 0.03 -0.49 0.13 0.00 -0.11 0.00 0.00 54.58 54.15 2qbg n ASN 73 Cb 0.35 0.28 0.73 0.00 1.24 0.00 0.00 39.78 42.38 2qbg n ASN 73 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qbg h ALA 74 N 0.00 1.99 -2.63 5.20 0.00 -1.11 -3.40 119.26 119.31 2qbg h ALA 74 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2qbg h ALA 74 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2qbg h ALA 74 CO 0.00 -0.19 0.26 -0.48 0.00 0.00 0.00 179.25 178.84 2qbg s LEU 75 N -8.50 4.50 0.13 0.00 2.34 -1.26 -4.97 118.68 110.91 2qbg s LEU 75 Ca -0.05 1.65 -0.17 0.00 0.06 0.00 0.00 54.13 55.61 2qbg s LEU 75 Cb 0.17 -3.41 -0.03 0.00 -0.56 0.00 0.00 46.19 42.36 2qbg s LEU 75 CO 0.64 0.00 1.73 -0.33 -1.06 0.00 0.00 176.35 177.34 2qbg h GLU 76 N 5.42 0.46 0.00 1.48 5.08 -1.95 -3.47 114.58 121.60 2qbg h GLU 76 Ca -0.44 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 57.64 2qbg h GLU 76 Cb 1.21 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2qbg h GLU 76 CO 0.71 0.38 -0.06 0.25 -1.00 0.00 0.00 179.01 179.29 2qbg n THR 77 N -4.79 0.00 -4.81 1.13 -2.24 -1.26 -3.98 114.28 98.33 2qbg n THR 77 Ca -0.01 -1.61 -0.25 0.00 -2.27 0.00 0.00 64.05 59.91 2qbg n THR 77 Cb 0.08 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 2qbg n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbg s VAL 78 N -2.67 1.42 -0.05 2.28 1.01 0.04 -4.92 120.40 117.51 2qbg s VAL 78 Ca 0.26 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2qbg s VAL 78 Cb -0.02 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2qbg s VAL 78 CO 0.19 0.36 -0.07 0.42 0.00 0.00 0.00 175.10 175.99 2qbg s THR 79 N -0.48 0.73 0.26 3.92 -4.23 -1.26 0.18 115.64 114.76 2qbg s THR 79 Ca 0.07 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2qbg s THR 79 Cb -0.07 -0.71 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 2qbg s THR 79 CO -0.00 0.26 0.01 2.30 -0.54 0.00 0.00 174.62 176.65 2qbg n ILE 80 N 3.93 0.00 -4.61 2.99 -6.64 -1.24 -5.03 119.36 108.75 2qbg n ILE 80 Ca -0.25 -1.25 -0.24 0.00 -1.77 0.00 0.00 62.75 59.24 2qbg n ILE 80 Cb 0.51 0.28 -0.14 0.00 -1.44 0.00 0.00 39.64 38.85 2qbg n ILE 80 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2qbg s ALA 81 N -2.47 1.61 -0.29 -1.28 0.00 -1.26 -3.84 121.76 114.22 2qbg s ALA 81 Ca 0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2qbg s ALA 81 Cb 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.94 2qbg s ALA 81 CO 0.01 0.36 0.88 0.45 0.00 0.00 0.00 175.76 177.45 2qbg s SER 82 N -1.07 -0.68 0.23 0.00 0.15 -1.17 -4.84 113.70 106.32 2qbg s SER 82 Ca 0.06 1.05 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 2qbg s SER 82 Cb -0.08 1.39 -0.15 0.00 -1.71 0.00 0.00 66.02 65.47 2qbg s SER 82 CO 0.01 -0.16 0.89 0.29 1.20 0.00 0.00 173.24 175.47 2qbg n LYS 83 N 4.15 0.88 -3.68 5.44 4.01 -1.26 -0.74 118.16 126.96 2qbg n LYS 83 Ca -0.17 0.31 -0.21 0.00 -0.51 0.00 0.00 58.31 57.73 2qbg n LYS 83 Cb 0.57 -1.60 -0.18 0.00 -0.51 0.00 0.00 35.03 33.31 2qbg n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qbg s ALA 84 N -0.86 0.31 -0.16 7.82 0.00 -1.26 -3.62 121.76 124.00 2qbg s ALA 84 Ca 0.64 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2qbg s ALA 84 Cb -0.81 -0.67 -0.23 0.00 0.00 0.00 0.00 23.12 21.41 2qbg s ALA 84 CO 0.57 -0.54 0.20 0.41 0.00 0.00 0.00 175.76 176.41 2qbg n GLY 85 N 5.28 -0.74 0.35 0.00 0.00 -1.13 -4.94 105.19 104.01 2qbg n GLY 85 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2qbg n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbg n ASP 86 N -3.11 0.05 0.11 1.61 8.00 -1.25 -4.92 116.55 117.03 2qbg n ASP 86 Ca -0.32 -1.07 0.18 0.00 0.71 0.00 0.00 54.79 54.29 2qbg n ASP 86 Cb 1.07 -0.08 0.73 0.00 -0.02 0.00 0.00 41.12 42.82 2qbg n ASP 86 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2qbg h GLU 87 N 0.00 0.00 0.00 -1.24 3.07 -2.01 -3.35 114.58 111.05 2qbg h GLU 87 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2qbg h GLU 87 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2qbg h GLU 87 CO 0.03 0.00 -0.01 0.41 -1.40 0.00 0.00 179.01 178.04 2qbg n GLY 88 N -1.54 0.45 3.75 -3.84 0.00 -1.26 -4.97 105.19 97.77 2qbg n GLY 88 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2qbg n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbg s LYS 89 N 0.00 4.32 -0.23 1.61 3.01 -1.26 0.06 119.74 127.26 2qbg s LYS 89 Ca 0.00 0.64 -0.14 0.00 -1.01 0.00 0.00 55.97 55.46 2qbg s LYS 89 Cb 0.00 -3.39 -0.04 0.00 -1.01 0.00 0.00 37.83 33.39 2qbg s LYS 89 CO 0.00 0.26 0.32 -0.51 0.51 0.00 0.00 175.35 175.93 2qbg s LEU 90 N 0.21 4.12 0.09 3.17 1.02 0.73 -2.86 118.68 125.16 2qbg s LEU 90 Ca 0.30 0.34 -0.30 0.00 0.02 0.00 0.00 54.13 54.49 2qbg s LEU 90 Cb -0.17 -2.37 -0.12 0.00 0.02 0.00 0.00 46.19 43.55 2qbg s LEU 90 CO 0.15 -0.06 1.48 -0.26 0.02 0.00 0.00 176.35 177.68 2qbg h PHE 91 N 7.61 -1.35 0.00 0.29 -1.00 -1.88 -3.41 116.94 117.19 2qbg h PHE 91 Ca -0.36 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.46 2qbg h PHE 91 Cb 1.17 0.58 0.00 0.00 3.61 0.00 0.00 35.95 41.31 2qbg h PHE 91 CO 0.69 -0.51 0.00 0.41 -1.61 0.00 0.00 178.31 177.29 2qbg n GLY 92 N -1.41 0.19 3.65 -1.45 0.00 -1.26 -5.09 105.19 99.82 2qbg n GLY 92 Ca -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2qbg n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbg s SER 93 N -1.17 -0.07 -0.56 1.61 1.04 -1.26 -4.79 113.70 108.50 2qbg s SER 93 Ca 0.00 0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.31 2qbg s SER 93 Cb 0.00 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.29 2qbg s SER 93 CO 0.00 -0.03 1.01 -0.63 0.98 0.00 0.00 173.24 174.57 2qbg s ILE 94 N -0.09 4.29 0.72 -1.02 1.09 -1.23 -5.02 121.20 119.94 2qbg s ILE 94 Ca 0.07 0.42 -0.01 0.00 -1.10 0.00 0.00 60.65 60.03 2qbg s ILE 94 Cb -0.05 -4.59 0.13 0.00 -1.06 0.00 0.00 42.46 36.89 2qbg s ILE 94 CO -0.14 -1.18 0.99 -0.83 -0.10 0.00 0.00 174.94 173.68 2qbg s GLY 95 N 2.90 1.76 0.17 6.18 0.00 -1.26 -4.59 107.32 112.47 2qbg s GLY 95 Ca 0.33 -1.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.19 2qbg s GLY 95 CO 0.20 -1.15 1.19 -1.30 0.00 0.00 0.00 173.10 172.04 2qbg n THR 96 N -2.83 -0.42 -0.26 0.90 -2.24 -1.26 -0.40 114.28 107.76 2qbg n THR 96 Ca 0.15 1.80 0.07 0.00 -2.27 0.00 0.00 64.05 63.80 2qbg n THR 96 Cb 0.61 -2.35 0.20 0.00 -2.10 0.00 0.00 70.33 66.69 2qbg n THR 96 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2qbg h ARG 97 N 0.00 0.30 -0.45 -0.78 -0.00 -1.98 -0.64 114.38 110.83 2qbg h ARG 97 Ca 0.24 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 60.15 2qbg h ARG 97 Cb 0.43 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.32 2qbg h ARG 97 CO -0.75 0.20 0.09 -0.44 -0.00 0.00 0.00 179.97 179.07 2qbg h ASP 98 N 0.31 0.70 0.34 0.08 3.32 -1.08 0.65 116.42 120.73 2qbg h ASP 98 Ca 0.44 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2qbg h ASP 98 Cb 0.76 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2qbg h ASP 98 CO -0.50 0.77 0.00 -0.38 -1.72 0.00 0.00 179.24 177.40 2qbg n ILE 99 N -4.49 0.52 0.00 0.35 5.41 -0.44 -3.29 119.36 117.43 2qbg n ILE 99 Ca 0.00 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2qbg n ILE 99 Cb 0.23 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 2qbg n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbg n ALA 100 N -1.30 1.59 -0.26 -1.39 0.00 -0.38 -4.36 120.51 114.41 2qbg n ALA 100 Ca 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.44 2qbg n ALA 100 Cb 0.14 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.65 2qbg n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qbg n ASP 101 N -2.31 -0.37 0.27 0.00 8.00 0.22 0.56 116.55 122.92 2qbg n ASP 101 Ca 0.00 1.19 -0.16 0.00 0.71 0.00 0.00 54.79 56.53 2qbg n ASP 101 Cb 0.00 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 40.71 2qbg n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbg h ALA 102 N 1.12 -1.12 0.00 2.24 0.00 -1.73 0.17 119.26 119.94 2qbg h ALA 102 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qbg h ALA 102 Cb 0.45 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qbg h ALA 102 CO -0.69 -1.14 0.00 1.55 0.00 0.00 0.00 179.25 178.97 2qbg n VAL 103 N -5.13 1.10 -0.03 0.00 3.14 0.14 -0.58 118.33 116.97 2qbg n VAL 103 Ca -0.11 0.28 -0.14 0.00 -2.96 0.00 0.00 64.34 61.40 2qbg n VAL 103 Cb 0.41 -1.23 -0.14 0.00 -1.06 0.00 0.00 33.84 31.82 2qbg n VAL 103 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbg n THR 104 N -1.30 1.64 -0.11 1.55 -1.04 0.19 -3.74 114.28 111.46 2qbg n THR 104 Ca 0.01 -0.73 -0.08 0.00 -2.04 0.00 0.00 64.05 61.21 2qbg n THR 104 Cb 0.02 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 2qbg n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbg h ALA 105 N 0.57 0.47 -0.06 2.41 0.00 0.17 -0.02 119.26 122.80 2qbg h ALA 105 Ca -0.39 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2qbg h ALA 105 Cb 2.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2qbg h ALA 105 CO 0.06 -0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.41 2qbg h ALA 106 N 1.15 1.37 0.00 0.00 0.00 -1.69 -3.46 119.26 116.63 2qbg h ALA 106 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qbg h ALA 106 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qbg h ALA 106 CO -0.05 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.39 2qbg n GLY 107 N -1.23 0.92 3.41 0.00 0.00 -0.02 -5.10 105.19 103.17 2qbg n GLY 107 Ca -0.01 -0.13 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 2qbg n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbg n VAL 108 N 0.00 0.12 0.03 1.61 0.31 -1.25 -4.79 118.33 114.37 2qbg n VAL 108 Ca 0.00 -0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 2qbg n VAL 108 Cb 0.00 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 2qbg n VAL 108 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbg h GLU 109 N 12.03 -0.19 -3.94 5.55 4.57 -1.82 -3.21 114.58 127.57 2qbg h GLU 109 Ca -0.22 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 57.83 2qbg h GLU 109 Cb 1.34 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2qbg h GLU 109 CO 1.07 -0.13 -0.53 1.55 -1.18 0.00 0.00 179.01 179.79 2qbg n VAL 110 N -3.22 -1.58 -1.94 0.32 3.14 -1.26 -4.45 118.33 109.34 2qbg n VAL 110 Ca -0.02 0.06 -0.29 0.00 -2.96 0.00 0.00 64.34 61.13 2qbg n VAL 110 Cb 0.11 -1.53 0.09 0.00 -1.06 0.00 0.00 33.84 31.45 2qbg n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbg s ALA 111 N -0.62 2.70 0.21 1.55 0.00 -1.26 -4.81 121.76 119.53 2qbg s ALA 111 Ca 0.15 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 2qbg s ALA 111 Cb -0.01 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 2qbg s ALA 111 CO 0.33 -1.67 0.86 -1.59 0.00 0.00 0.00 175.76 173.68 2qbg s LYS 112 N -5.55 4.67 0.15 0.00 0.00 -1.26 -4.81 119.74 112.94 2qbg s LYS 112 Ca 0.62 1.30 0.00 0.00 0.00 0.00 0.00 55.97 57.89 2qbg s LYS 112 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 37.83 34.51 2qbg s LYS 112 CO 0.49 0.52 0.00 0.45 0.00 0.00 0.00 175.35 176.80 2qbg n SER 113 N 1.42 -1.33 -0.22 0.03 2.88 -1.26 -4.98 113.62 110.16 2qbg n SER 113 Ca -0.03 0.45 0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2qbg n SER 113 Cb 0.48 1.48 0.16 0.00 -0.75 0.00 0.00 64.21 65.58 2qbg n SER 113 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2qbg n GLU 114 N -2.86 1.43 -1.36 -1.46 1.02 -1.26 -5.08 120.64 111.07 2qbg n GLU 114 Ca 0.00 -2.73 -0.39 0.00 -0.02 0.00 0.00 57.16 54.02 2qbg n GLU 114 Cb 0.00 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2qbg n GLU 114 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qbg n VAL 115 N -1.33 1.10 -0.56 2.62 3.14 -1.26 -4.04 118.33 117.99 2qbg n VAL 115 Ca 0.17 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 61.12 2qbg n VAL 115 Cb 0.67 -0.32 0.23 0.00 -1.06 0.00 0.00 33.84 33.36 2qbg n VAL 115 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2qbg n ARG 116 N 0.79 3.05 -1.64 1.45 5.12 -1.18 -4.86 116.66 119.39 2qbg n ARG 116 Ca 0.10 -2.49 -0.49 0.00 -1.93 0.00 0.00 57.85 53.04 2qbg n ARG 116 Cb 0.46 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 30.12 2qbg n ARG 116 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2qbg n LEU 117 N 0.23 2.51 0.18 0.55 7.94 -1.26 -4.81 117.00 122.34 2qbg n LEU 117 Ca 0.18 1.09 0.08 0.00 -1.11 0.00 0.00 56.01 56.24 2qbg n LEU 117 Cb 0.68 -1.32 0.40 0.00 0.53 0.00 0.00 43.42 43.72 2qbg n LEU 117 CO 0.13 -0.58 0.83 -0.65 -1.11 0.00 0.00 177.39 176.01 2qbg h PRO 118 N 5.63 0.00 0.00 1.96 0.11 -1.96 -3.42 132.00 134.33 2qbg h PRO 118 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qbg h PRO 118 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qbg h PRO 118 CO 0.85 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 2qbg n ASN 119 N -2.13 0.00 -4.58 -2.05 0.23 -1.26 -5.05 115.26 100.42 2qbg n ASN 119 Ca -0.01 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.73 2qbg n ASN 119 Cb 0.31 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.97 2qbg n ASN 119 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2qbg s GLY 120 N 0.00 0.49 0.00 4.83 0.00 -1.26 -4.76 107.32 106.62 2qbg s GLY 120 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.47 2qbg s GLY 120 CO 0.00 3.36 0.00 3.33 0.00 0.00 0.00 173.10 179.79 2qbg n VAL 121 N 7.51 0.00 -2.66 1.40 0.24 -1.26 -4.90 118.33 118.66 2qbg n VAL 121 Ca 0.45 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.64 2qbg n VAL 121 Cb 0.47 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.86 2qbg n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbg n LEU 122 N 0.00 -2.14 -0.23 1.34 7.99 -1.26 -3.55 117.00 119.15 2qbg n LEU 122 Ca 0.00 -0.15 0.13 0.00 -0.01 0.00 0.00 56.01 55.99 2qbg n LEU 122 Cb 0.00 -1.69 0.47 0.00 -0.11 0.00 0.00 43.42 42.09 2qbg n LEU 122 CO 0.00 0.13 0.75 0.54 -1.51 0.00 0.00 177.39 177.30 2qbg n ARG 123 N -2.34 0.89 -4.25 3.23 3.00 -1.26 -4.05 116.66 111.88 2qbg n ARG 123 Ca -0.05 -0.47 -0.14 0.00 -0.01 0.00 0.00 57.85 57.18 2qbg n ARG 123 Cb 0.56 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.42 2qbg n ARG 123 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2qbg s THR 124 N -2.43 0.76 0.33 0.55 -1.32 -1.25 -0.19 115.64 112.10 2qbg s THR 124 Ca 0.28 -1.99 0.07 0.00 -1.21 0.00 0.00 61.69 58.83 2qbg s THR 124 Cb 0.20 -2.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 2qbg s THR 124 CO 0.48 -0.48 0.43 0.42 -2.21 0.00 0.00 174.62 173.26 2qbg s THR 125 N -3.60 3.95 0.00 5.08 -4.23 0.11 -4.79 115.64 112.16 2qbg s THR 125 Ca 0.24 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2qbg s THR 125 Cb 0.06 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.54 2qbg s THR 125 CO 0.04 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2qbg n GLY 126 N -1.58 0.94 3.76 3.99 0.00 0.43 -4.74 105.19 108.00 2qbg n GLY 126 Ca -0.00 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 2qbg n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qbg s GLU 127 N -1.23 3.61 -0.30 1.61 1.03 -1.26 0.22 118.70 122.38 2qbg s GLU 127 Ca 0.00 2.40 0.00 0.00 0.03 0.00 0.00 54.97 57.40 2qbg s GLU 127 Cb 0.00 -2.60 0.14 0.00 -0.80 0.00 0.00 34.13 30.87 2qbg s GLU 127 CO 0.00 -0.87 0.31 -1.01 -1.33 0.00 0.00 175.26 172.36 2qbg s HIS 128 N -1.21 -0.52 -0.13 4.83 3.76 0.59 -4.81 115.29 117.80 2qbg s HIS 128 Ca 0.62 -0.16 -0.35 0.00 -0.15 0.00 0.00 55.06 55.02 2qbg s HIS 128 Cb -0.43 -0.42 -0.12 0.00 1.11 0.00 0.00 32.58 32.71 2qbg s HIS 128 CO 0.55 -0.93 1.87 -0.85 -0.85 0.00 0.00 174.74 174.53 2qbg n GLU 129 N 5.24 1.96 -3.97 1.40 -0.00 -1.26 0.63 120.64 124.64 2qbg n GLU 129 Ca -0.01 0.72 -0.14 0.00 -0.00 0.00 0.00 57.16 57.73 2qbg n GLU 129 Cb 0.47 -2.54 -0.14 0.00 -0.00 0.00 0.00 31.44 29.22 2qbg n GLU 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2qbg s VAL 130 N 4.09 0.15 0.20 3.84 1.01 -1.07 -4.84 120.40 123.78 2qbg s VAL 130 Ca 0.94 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.88 2qbg s VAL 130 Cb -0.77 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2qbg s VAL 130 CO 0.54 0.05 0.04 -0.55 0.00 0.00 0.00 175.10 175.18 2qbg s SER 131 N 0.06 1.19 -0.21 3.32 0.15 -1.26 -0.47 113.70 116.48 2qbg s SER 131 Ca -0.00 -1.25 -0.04 0.00 0.70 0.00 0.00 55.95 55.35 2qbg s SER 131 Cb -0.02 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.51 2qbg s SER 131 CO -0.00 -0.63 0.13 0.12 1.20 0.00 0.00 173.24 174.06 2qbg s PHE 132 N -3.70 0.13 -0.77 3.44 5.36 -1.09 -3.12 117.98 118.24 2qbg s PHE 132 Ca 0.29 -0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 55.62 2qbg s PHE 132 Cb 0.07 -0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 42.04 2qbg s PHE 132 CO 0.07 -0.63 1.74 1.14 -1.46 0.00 0.00 175.22 176.09 2qbg s GLN 133 N 2.16 2.81 0.00 10.12 -2.07 -1.26 -2.85 119.66 128.58 2qbg s GLN 133 Ca 0.05 -0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.57 2qbg s GLN 133 Cb -0.16 -4.68 0.00 0.00 -1.09 0.00 0.00 33.01 27.08 2qbg s GLN 133 CO -0.18 -2.77 0.17 0.28 -1.32 0.00 0.00 175.29 171.47 2qbg n VAL 134 N 7.24 0.00 -1.15 3.63 0.31 0.85 -4.72 118.33 124.50 2qbg n VAL 134 Ca 0.25 0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 65.12 2qbg n VAL 134 Cb 0.50 -1.64 0.11 0.00 -0.91 0.00 0.00 33.84 31.89 2qbg n VAL 134 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2qbg n HIS 135 N -0.19 -3.75 -0.32 3.52 -0.00 -1.22 -4.86 115.22 108.41 2qbg n HIS 135 Ca 0.00 -0.52 0.04 0.00 -0.00 0.00 0.00 57.72 57.24 2qbg n HIS 135 Cb 0.00 -0.51 0.23 0.00 -0.00 0.00 0.00 29.99 29.71 2qbg n HIS 135 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2qbg h SER 136 N -1.25 0.94 -0.02 0.26 0.02 -2.02 -2.98 113.55 108.50 2qbg h SER 136 Ca -0.20 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2qbg h SER 136 Cb 0.57 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2qbg h SER 136 CO 0.14 0.60 0.00 -0.62 -1.14 0.00 0.00 176.83 175.81 2qbg n GLU 137 N -4.49 2.47 -4.01 3.45 4.71 -1.26 -5.02 120.64 116.50 2qbg n GLU 137 Ca 0.14 -1.40 -0.36 0.00 -0.01 0.00 0.00 57.16 55.52 2qbg n GLU 137 Cb 0.19 -1.02 -0.07 0.00 -1.01 0.00 0.00 31.44 29.54 2qbg n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qbg s VAL 138 N -0.87 5.20 -0.27 2.62 1.01 -1.13 -5.04 120.40 121.92 2qbg s VAL 138 Ca 0.01 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 2qbg s VAL 138 Cb 0.01 -3.26 0.13 0.00 0.00 0.00 0.00 36.38 33.26 2qbg s VAL 138 CO 0.01 0.60 1.09 0.72 0.00 0.00 0.00 175.10 177.52 2qbg s PHE 139 N -1.01 -0.39 -0.25 5.22 -0.12 -1.26 -0.11 117.98 120.06 2qbg s PHE 139 Ca 0.15 0.93 0.02 0.00 -0.05 0.00 0.00 56.93 57.98 2qbg s PHE 139 Cb -0.12 0.39 0.05 0.00 -0.63 0.00 0.00 43.02 42.71 2qbg s PHE 139 CO 0.04 -0.21 -0.11 0.00 -0.05 0.00 0.00 175.22 174.89 2qbg s ALA 140 N 0.01 2.55 -0.40 1.99 0.00 -1.13 -4.59 121.76 120.19 2qbg s ALA 140 Ca 0.03 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 2qbg s ALA 140 Cb -0.04 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.55 2qbg s ALA 140 CO -0.07 -1.01 0.74 0.15 0.00 0.00 0.00 175.76 175.58 2qbg s LYS 141 N 1.17 3.57 -0.13 0.00 3.01 -1.26 -2.67 119.74 123.43 2qbg s LYS 141 Ca -0.05 0.04 -0.04 0.00 -1.01 0.00 0.00 55.97 54.92 2qbg s LYS 141 Cb -0.18 -3.87 0.05 0.00 -1.01 0.00 0.00 37.83 32.82 2qbg s LYS 141 CO -0.06 -0.95 0.07 0.08 0.51 0.00 0.00 175.35 175.01 2qbg s VAL 142 N 3.08 -0.02 0.73 3.17 1.01 0.38 -4.96 120.40 123.79 2qbg s VAL 142 Ca 0.29 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 2qbg s VAL 142 Cb -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2qbg s VAL 142 CO 0.19 -0.12 0.75 -0.38 0.00 0.00 0.00 175.10 175.55 2qbg n ILE 143 N 5.26 2.19 -3.82 2.22 5.41 -1.26 -2.59 119.36 126.77 2qbg n ILE 143 Ca -0.06 -0.37 -0.28 0.00 1.00 0.00 0.00 62.75 63.04 2qbg n ILE 143 Cb 0.49 -0.92 -0.16 0.00 -0.71 0.00 0.00 39.64 38.34 2qbg n ILE 143 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2qbg s VAL 144 N -1.90 0.90 -0.11 1.39 1.01 0.20 -0.78 120.40 121.12 2qbg s VAL 144 Ca 0.69 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 2qbg s VAL 144 Cb -0.34 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2qbg s VAL 144 CO 0.54 -0.10 0.79 0.21 0.00 0.00 0.00 175.10 176.55 2qbg s ASN 145 N 1.70 7.02 0.02 3.32 3.84 0.48 0.22 114.94 131.53 2qbg s ASN 145 Ca -0.02 1.23 -0.05 0.00 0.21 0.00 0.00 52.86 54.24 2qbg s ASN 145 Cb -0.17 -2.45 -0.05 0.00 -0.55 0.00 0.00 41.25 38.03 2qbg s ASN 145 CO -0.07 -0.26 0.25 -0.69 -2.79 0.00 0.00 177.10 173.54 2qbg s VAL 146 N 1.45 5.33 -0.03 -5.21 1.01 0.60 -3.67 120.40 119.88 2qbg s VAL 146 Ca 0.40 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2qbg s VAL 146 Cb -0.18 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2qbg s VAL 146 CO 0.17 0.30 0.23 -0.69 0.00 0.00 0.00 175.10 175.10 2qbg s VAL 147 N -1.37 0.06 0.78 2.92 1.01 -1.25 0.16 120.40 122.71 2qbg s VAL 147 Ca 0.30 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 2qbg s VAL 147 Cb -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.77 2qbg s VAL 147 CO 0.19 -0.25 0.71 0.00 0.00 0.00 0.00 175.10 175.75 2qbg n ALA 148 N 1.72 -1.21 0.41 5.51 0.00 -1.26 -3.04 120.51 122.64 2qbg n ALA 148 Ca -0.20 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 52.96 2qbg n ALA 148 Cb 0.56 -1.96 0.20 0.00 0.00 0.00 0.00 19.45 18.25 2qbg n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59