#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsb s ILE 4 N 0.00 5.14 0.00 1.34 1.01 -1.26 -4.89 121.20 122.54 1bsb s ILE 4 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1bsb s ILE 4 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1bsb s ILE 4 CO 0.00 0.11 0.80 -0.46 0.00 0.00 0.00 174.94 175.38 1bsb n ASN 5 N 5.41 0.00 -4.87 3.58 6.94 -1.26 -4.83 115.26 120.23 1bsb n ASN 5 Ca -0.07 -1.61 -0.25 0.00 -0.02 0.00 0.00 54.58 52.63 1bsb n ASN 5 Cb 0.50 -0.12 -0.04 0.00 -2.36 0.00 0.00 39.78 37.76 1bsb n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsb s THR 6 N 0.00 4.87 0.21 5.53 -4.23 -1.26 0.95 115.64 121.71 1bsb s THR 6 Ca 0.00 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1bsb s THR 6 Cb 0.00 -3.52 0.18 0.00 1.34 0.00 0.00 72.50 70.50 1bsb s THR 6 CO 0.00 -0.14 1.67 -0.26 -0.54 0.00 0.00 174.62 175.35 1bsb h PHE 7 N 2.12 -0.01 -0.14 3.99 0.04 -1.99 -0.36 116.94 120.59 1bsb h PHE 7 Ca -0.48 0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.14 1bsb h PHE 7 Cb 1.20 0.10 0.01 0.00 2.20 0.00 0.00 35.95 39.46 1bsb h PHE 7 CO 0.55 -0.14 -0.66 -0.44 -0.60 0.00 0.00 178.31 177.02 1bsb h ASP 8 N 0.13 0.82 -0.10 2.17 3.32 -1.98 -2.09 116.42 118.69 1bsb h ASP 8 Ca 0.31 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1bsb h ASP 8 Cb 0.49 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bsb h ASP 8 CO -0.49 1.31 0.05 1.23 -1.72 0.00 0.00 179.24 179.62 1bsb h GLY 9 N 0.37 0.15 1.08 2.75 0.00 -1.86 -1.65 103.07 103.91 1bsb h GLY 9 Ca -0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1bsb h GLY 9 CO 0.14 0.07 -0.23 -2.08 0.00 0.00 0.00 176.54 174.43 1bsb h VAL 10 N 0.04 1.27 -0.42 4.60 2.07 -1.19 -1.55 116.25 121.07 1bsb h VAL 10 Ca 0.03 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1bsb h VAL 10 Cb 0.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1bsb h VAL 10 CO -0.00 0.47 0.19 0.00 0.02 0.00 0.00 177.57 178.25 1bsb h ALA 11 N 0.84 0.54 -0.49 1.67 0.00 -1.29 -0.01 119.26 120.51 1bsb h ALA 11 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1bsb h ALA 11 Cb 0.81 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1bsb h ALA 11 CO 0.07 0.12 0.09 -0.44 0.00 0.00 0.00 179.25 179.08 1bsb h ASP 12 N 0.53 0.78 -0.29 0.00 3.32 -1.26 -2.61 116.42 116.89 1bsb h ASP 12 Ca 0.14 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1bsb h ASP 12 Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1bsb h ASP 12 CO -0.02 0.83 0.17 0.22 -1.72 0.00 0.00 179.24 178.73 1bsb h TYR 13 N 0.69 0.33 -0.11 4.55 5.03 -1.02 -2.06 116.97 124.37 1bsb h TYR 13 Ca 0.15 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 1bsb h TYR 13 Cb 0.38 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1bsb h TYR 13 CO 0.03 0.20 0.07 -0.07 -1.32 0.00 0.00 178.16 177.06 1bsb h LEU 14 N 0.36 0.13 -1.67 2.82 3.38 -0.94 0.11 115.31 119.50 1bsb h LEU 14 Ca 0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1bsb h LEU 14 Cb -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1bsb h LEU 14 CO -0.05 0.14 -0.18 1.56 0.09 0.00 0.00 178.44 180.00 1bsb h GLN 15 N 0.12 0.00 0.10 1.13 4.20 -1.35 0.24 115.11 119.55 1bsb h GLN 15 Ca 0.04 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.42 1bsb h GLN 15 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1bsb h GLN 15 CO -0.01 0.18 -1.82 2.41 -0.67 0.00 0.00 178.83 178.92 1bsb n THR 16 N -4.20 1.73 0.77 -0.54 -1.04 -0.78 -4.58 114.28 105.64 1bsb n THR 16 Ca -0.02 -0.51 0.09 0.00 -2.04 0.00 0.00 64.05 61.56 1bsb n THR 16 Cb 0.25 -1.81 0.02 0.00 -1.82 0.00 0.00 70.33 66.97 1bsb n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsb n TYR 17 N -3.71 0.00 -4.01 -1.42 4.01 0.36 -5.05 117.16 107.35 1bsb n TYR 17 Ca -0.32 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.06 1bsb n TYR 17 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.99 1bsb n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bsb n HIS 18 N 0.25 -1.54 0.00 -0.72 8.25 0.83 -4.92 115.22 117.37 1bsb n HIS 18 Ca 0.08 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1bsb n HIS 18 Cb 0.40 -3.14 0.00 0.00 1.12 0.00 0.00 29.99 28.37 1bsb n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bsb n LYS 19 N -4.63 0.00 -2.87 -0.41 2.85 -1.26 -5.08 118.16 106.77 1bsb n LYS 19 Ca -0.19 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.75 1bsb n LYS 19 Cb 0.62 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.94 1bsb n LYS 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bsb s LEU 20 N 0.00 3.92 1.04 -5.58 1.43 -1.26 -4.25 118.68 113.98 1bsb s LEU 20 Ca 0.00 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 1bsb s LEU 20 Cb 0.00 -4.32 0.18 0.00 0.03 0.00 0.00 46.19 42.08 1bsb s LEU 20 CO 0.00 -0.35 0.92 -2.65 0.23 0.00 0.00 176.35 174.50 1bsb n PRO 21 N -0.76 -1.28 0.12 1.29 -0.02 -1.26 -4.88 135.00 128.21 1bsb n PRO 21 Ca 0.05 -0.33 0.10 0.00 -2.02 0.00 0.00 63.50 61.30 1bsb n PRO 21 Cb 0.54 -2.18 0.46 0.00 -0.02 0.00 0.00 33.50 32.29 1bsb n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bsb n ASP 22 N -3.95 0.48 0.00 2.55 8.00 -1.26 -3.15 116.55 119.21 1bsb n ASP 22 Ca 0.07 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1bsb n ASP 22 Cb 0.54 -0.75 0.69 0.00 -0.02 0.00 0.00 41.12 41.57 1bsb n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bsb n ASN 23 N -2.09 0.00 -4.85 -2.24 6.94 -1.26 -4.81 115.26 106.96 1bsb n ASN 23 Ca 0.00 -1.05 -0.37 0.00 -0.02 0.00 0.00 54.58 53.15 1bsb n ASN 23 Cb 0.11 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 1bsb n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsb s TYR 24 N -2.00 3.62 0.02 -2.53 2.02 -1.19 -0.86 117.35 116.43 1bsb s TYR 24 Ca 0.35 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 57.71 1bsb s TYR 24 Cb 0.16 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1bsb s TYR 24 CO 0.27 0.65 -0.03 0.96 -1.57 0.00 0.00 175.55 175.83 1bsb s ILE 25 N -0.86 0.12 0.73 2.71 -4.36 -0.67 -4.91 121.20 113.96 1bsb s ILE 25 Ca 0.17 -0.78 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 1bsb s ILE 25 Cb -0.13 -0.24 0.03 0.00 1.25 0.00 0.00 42.46 43.36 1bsb s ILE 25 CO 0.06 -0.42 1.10 0.42 0.24 0.00 0.00 174.94 176.35 1bsb s THR 26 N -1.23 3.40 0.22 8.37 -4.23 -1.21 -0.10 115.64 120.87 1bsb s THR 26 Ca -0.13 0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.76 1bsb s THR 26 Cb -0.08 -3.38 0.18 0.00 1.34 0.00 0.00 72.50 70.56 1bsb s THR 26 CO -0.01 -0.59 1.73 0.11 -0.54 0.00 0.00 174.62 175.32 1bsb h LYS 27 N -0.77 0.40 -0.32 3.99 1.57 -1.96 0.20 116.57 119.68 1bsb h LYS 27 Ca -0.45 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 1bsb h LYS 27 Cb 1.26 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1bsb h LYS 27 CO 0.62 0.26 0.04 0.77 -0.57 0.00 0.00 179.45 180.58 1bsb h SER 28 N 0.41 0.52 -0.65 0.86 0.02 -1.99 0.10 113.55 112.83 1bsb h SER 28 Ca 0.35 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1bsb h SER 28 Cb 0.49 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1bsb h SER 28 CO -0.36 0.66 0.19 -0.33 -1.14 0.00 0.00 176.83 175.85 1bsb h GLU 29 N 0.36 1.01 -0.40 3.45 5.08 -1.74 -1.12 114.58 121.22 1bsb h GLU 29 Ca 0.10 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1bsb h GLU 29 Cb 0.37 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1bsb h GLU 29 CO 0.01 0.90 0.22 0.00 -1.00 0.00 0.00 179.01 179.13 1bsb h ALA 30 N 1.07 0.50 -0.64 3.43 0.00 -0.07 -2.75 119.26 120.79 1bsb h ALA 30 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1bsb h ALA 30 Cb 0.31 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1bsb h ALA 30 CO -0.00 -0.13 0.30 1.96 0.00 0.00 0.00 179.25 181.38 1bsb h GLN 31 N 0.45 0.52 -0.25 0.00 4.20 -0.45 -1.48 115.11 118.09 1bsb h GLN 31 Ca 0.16 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.91 1bsb h GLN 31 Cb 0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1bsb h GLN 31 CO -0.09 0.34 0.20 0.00 -0.67 0.00 0.00 178.83 178.61 1bsb h ALA 32 N 1.39 2.11 -0.01 3.87 0.00 -0.93 0.94 119.26 126.64 1bsb h ALA 32 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bsb h ALA 32 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1bsb h ALA 32 CO -0.25 -0.33 -0.17 1.28 0.00 0.00 0.00 179.25 179.78 1bsb n LEU 33 N -4.24 0.98 0.00 0.00 4.77 -0.59 -4.93 117.00 113.00 1bsb n LEU 33 Ca 0.03 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1bsb n LEU 33 Cb 0.35 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1bsb n LEU 33 CO 0.33 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1bsb n GLY 34 N 1.29 0.75 3.70 -0.72 0.00 0.33 -4.92 105.19 105.62 1bsb n GLY 34 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1bsb n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsb s TRP 35 N -2.00 3.13 -0.33 1.61 -0.00 -1.05 -4.95 118.94 115.35 1bsb s TRP 35 Ca 0.00 0.96 0.02 0.00 -0.00 0.00 0.00 56.10 57.08 1bsb s TRP 35 Cb 0.00 -3.63 0.09 0.00 -0.00 0.00 0.00 33.47 29.93 1bsb s TRP 35 CO 0.00 -2.22 0.05 0.08 -0.00 0.00 0.00 176.95 174.86 1bsb s VAL 36 N 1.58 2.56 0.23 5.86 1.01 -1.26 -4.54 120.40 125.84 1bsb s VAL 36 Ca 0.63 -2.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1bsb s VAL 36 Cb -0.34 -2.73 0.19 0.00 0.00 0.00 0.00 36.38 33.50 1bsb s VAL 36 CO 0.29 -0.45 1.72 0.00 0.00 0.00 0.00 175.10 176.66 1bsb h ALA 37 N 7.78 0.89 0.00 5.51 0.00 -1.99 -0.89 119.26 130.57 1bsb h ALA 37 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bsb h ALA 37 Cb 1.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bsb h ALA 37 CO 0.55 -0.24 0.00 0.43 0.00 0.00 0.00 179.25 179.99 1bsb n SER 38 N -5.05 0.00 -0.00 0.00 7.64 -1.26 -1.96 113.62 112.98 1bsb n SER 38 Ca 0.12 0.01 0.08 0.00 1.01 0.00 0.00 58.87 60.09 1bsb n SER 38 Cb 0.36 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 1bsb n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bsb n LYS 39 N -1.23 1.02 -3.55 1.43 5.02 -0.36 -5.00 118.16 115.48 1bsb n LYS 39 Ca 0.06 -0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1bsb n LYS 39 Cb 0.08 -1.34 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 1bsb n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bsb n GLY 40 N 1.47 -0.49 1.10 0.72 0.00 -0.83 -4.88 105.19 102.29 1bsb n GLY 40 Ca -0.00 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1bsb n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsb n ASN 41 N -2.94 4.19 -0.20 1.61 6.94 -1.25 -3.77 115.26 119.84 1bsb n ASN 41 Ca -0.03 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1bsb n ASN 41 Cb 0.57 -0.58 0.11 0.00 -2.36 0.00 0.00 39.78 37.53 1bsb n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsb h LEU 42 N 2.18 0.17 -1.94 -4.53 5.85 -1.88 0.35 115.31 115.50 1bsb h LEU 42 Ca 0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1bsb h LEU 42 Cb 1.57 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1bsb h LEU 42 CO 0.29 0.10 -0.06 0.00 -0.34 0.00 0.00 178.44 178.42 1bsb h ALA 43 N 1.44 1.10 0.20 1.25 0.00 -1.84 0.13 119.26 121.54 1bsb h ALA 43 Ca 0.31 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.85 1bsb h ALA 43 Cb 0.41 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1bsb h ALA 43 CO -0.34 0.08 -1.38 -0.44 0.00 0.00 0.00 179.25 177.17 1bsb h ASP 44 N 0.00 0.79 0.58 0.00 3.32 -1.30 -3.08 116.42 116.74 1bsb h ASP 44 Ca -0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 57.03 55.96 1bsb h ASP 44 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1bsb h ASP 44 CO 0.01 1.63 -1.48 -0.37 -1.72 0.00 0.00 179.24 177.30 1bsb h VAL 45 N 0.17 1.16 -2.15 -1.35 -1.51 -0.94 -3.40 116.25 108.23 1bsb h VAL 45 Ca -0.22 -2.90 -0.58 0.00 -1.23 0.00 0.00 66.70 61.78 1bsb h VAL 45 Cb 2.07 2.66 -0.40 0.00 -2.13 0.00 0.00 31.29 33.49 1bsb h VAL 45 CO 0.26 0.75 -0.97 0.00 -1.23 0.00 0.00 177.57 176.38 1bsb n ALA 46 N -2.57 2.85 -1.54 5.19 0.00 0.43 -5.04 120.51 119.83 1bsb n ALA 46 Ca -0.13 -3.66 -0.52 0.00 0.00 0.00 0.00 53.44 49.13 1bsb n ALA 46 Cb 1.02 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1bsb n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bsb n PRO 47 N 1.57 0.77 -0.86 0.00 -0.02 -1.16 -1.79 135.00 133.51 1bsb n PRO 47 Ca 0.24 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1bsb n PRO 47 Cb 0.49 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1bsb n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bsb n GLY 48 N 1.99 1.06 3.92 -1.23 0.00 -1.26 -5.03 105.19 104.64 1bsb n GLY 48 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1bsb n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsb s LYS 49 N -0.09 3.56 0.08 1.61 -0.14 -0.74 -4.85 119.74 119.17 1bsb s LYS 49 Ca 0.00 -0.17 0.05 0.00 -1.36 0.00 0.00 55.97 54.49 1bsb s LYS 49 Cb 0.00 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1bsb s LYS 49 CO 0.00 0.23 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.56 1bsb s SER 50 N -3.44 1.76 0.11 2.83 0.01 -0.04 -4.80 113.70 110.13 1bsb s SER 50 Ca 0.41 -0.67 -0.27 0.00 1.31 0.00 0.00 55.95 56.73 1bsb s SER 50 Cb -0.10 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.01 1bsb s SER 50 CO 0.32 -0.10 0.84 -0.63 0.41 0.00 0.00 173.24 174.08 1bsb s ILE 51 N -1.54 4.53 -0.22 1.44 -1.09 -1.26 -1.67 121.20 121.39 1bsb s ILE 51 Ca 0.01 1.82 -0.33 0.00 -2.23 0.00 0.00 60.65 59.93 1bsb s ILE 51 Cb -0.08 -4.20 0.16 0.00 -1.58 0.00 0.00 42.46 36.75 1bsb s ILE 51 CO 0.02 0.39 1.24 -0.83 -1.23 0.00 0.00 174.94 174.53 1bsb s GLY 52 N -0.34 -0.16 0.00 6.18 0.00 0.86 -1.36 107.32 112.50 1bsb s GLY 52 Ca 0.41 2.10 0.00 0.00 0.00 0.00 0.00 44.72 47.23 1bsb s GLY 52 CO 0.27 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.78 1bsb n GLY 53 N 0.24 1.89 3.80 0.20 0.00 0.22 -3.29 105.19 108.25 1bsb n GLY 53 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1bsb n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsb s ASP 54 N -1.87 6.49 0.36 1.61 1.01 -1.23 -4.76 116.67 118.28 1bsb s ASP 54 Ca 0.00 1.90 -0.28 0.00 0.71 0.00 0.00 52.55 54.88 1bsb s ASP 54 Cb 0.00 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1bsb s ASP 54 CO 0.00 -0.68 1.45 -0.63 0.21 0.00 0.00 175.17 175.53 1bsb s ILE 55 N -1.97 2.20 -0.21 0.77 1.01 -1.26 -1.20 121.20 120.54 1bsb s ILE 55 Ca 0.65 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.46 1bsb s ILE 55 Cb -0.16 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1bsb s ILE 55 CO 0.20 0.05 -0.02 0.12 0.00 0.00 0.00 174.94 175.29 1bsb s PHE 56 N -1.04 3.00 0.18 3.97 5.36 0.14 -4.79 117.98 124.80 1bsb s PHE 56 Ca 0.53 -0.62 -0.11 0.00 -0.96 0.00 0.00 56.93 55.77 1bsb s PHE 56 Cb -0.45 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.22 1bsb s PHE 56 CO 0.60 -0.35 1.71 0.66 -1.46 0.00 0.00 175.22 176.38 1bsb h SER 57 N 7.69 0.91 -3.75 6.13 4.64 -1.95 -3.39 113.55 123.84 1bsb h SER 57 Ca -0.37 -0.21 -0.23 0.00 -0.47 0.00 0.00 61.79 60.51 1bsb h SER 57 Cb 1.17 -0.24 0.08 0.00 -0.31 0.00 0.00 62.40 63.10 1bsb h SER 57 CO 0.60 0.88 -0.39 -3.20 -0.87 0.00 0.00 176.83 173.86 1bsb n ASN 58 N -4.37 -4.44 -0.07 4.97 5.15 -1.26 -4.93 115.26 110.30 1bsb n ASN 58 Ca 0.04 -0.31 -0.09 0.00 -0.60 0.00 0.00 54.58 53.62 1bsb n ASN 58 Cb 0.22 -3.07 -0.02 0.00 -0.53 0.00 0.00 39.78 36.38 1bsb n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bsb h ARG 59 N -1.53 0.33 0.00 1.20 -0.00 -2.00 -1.60 114.38 110.78 1bsb h ARG 59 Ca -0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1bsb h ARG 59 Cb 1.21 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 31.10 1bsb h ARG 59 CO 0.32 0.22 0.00 -0.85 -0.00 0.00 0.00 179.97 179.66 1bsb n GLU 60 N -4.92 0.64 -3.30 0.08 0.28 -1.26 -4.90 120.64 107.26 1bsb n GLU 60 Ca -0.02 0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 56.76 1bsb n GLU 60 Cb 0.04 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.42 1bsb n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bsb n GLY 61 N 0.38 -0.50 0.05 -1.84 0.00 -0.60 -4.84 105.19 97.85 1bsb n GLY 61 Ca 0.16 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1bsb n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bsb n LYS 62 N -3.89 0.13 -4.29 1.61 2.85 -1.26 -4.74 118.16 108.56 1bsb n LYS 62 Ca -0.04 0.12 -0.33 0.00 -1.05 0.00 0.00 58.31 57.01 1bsb n LYS 62 Cb 0.56 -1.65 -0.09 0.00 -0.65 0.00 0.00 35.03 33.21 1bsb n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bsb s LEU 63 N -3.75 3.54 0.05 -5.58 1.43 -1.26 -4.94 118.68 108.17 1bsb s LEU 63 Ca 0.12 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1bsb s LEU 63 Cb 0.15 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 1bsb s LEU 63 CO 0.55 0.29 1.79 -2.16 0.23 0.00 0.00 176.35 177.05 1bsb s PRO 64 N -1.47 4.16 0.56 1.29 0.04 -1.26 -5.02 135.00 133.31 1bsb s PRO 64 Ca 0.19 2.45 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 1bsb s PRO 64 Cb -0.11 -3.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 1bsb s PRO 64 CO 0.09 -0.85 0.91 0.20 0.04 0.00 0.00 177.00 177.39 1bsb s GLY 65 N 3.25 1.58 0.00 0.56 0.00 -1.26 -5.08 107.32 106.37 1bsb s GLY 65 Ca 0.80 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1bsb s GLY 65 CO 0.36 -0.18 0.00 0.28 0.00 0.00 0.00 173.10 173.55 1bsb n LYS 66 N -2.54 0.00 -1.02 2.90 4.01 -1.26 -5.06 118.16 115.19 1bsb n LYS 66 Ca 0.03 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.43 1bsb n LYS 66 Cb 0.56 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.02 1bsb n LYS 66 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1bsb n SER 67 N 0.00 0.20 0.00 4.39 2.88 -1.26 0.12 113.62 119.96 1bsb n SER 67 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1bsb n SER 67 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1bsb n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bsb n GLY 68 N 1.41 1.99 3.70 0.46 0.00 -1.26 -4.99 105.19 106.51 1bsb n GLY 68 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1bsb n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsb s ARG 69 N -0.01 4.46 0.14 1.61 3.52 0.33 -4.95 118.95 124.06 1bsb s ARG 69 Ca 0.00 1.16 0.09 0.00 -0.13 0.00 0.00 55.73 56.85 1bsb s ARG 69 Cb 0.00 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1bsb s ARG 69 CO 0.00 -0.07 -0.15 0.99 -0.81 0.00 0.00 175.30 175.26 1bsb s THR 70 N 1.19 2.99 -0.04 4.11 2.01 -1.26 -4.76 115.64 119.87 1bsb s THR 70 Ca 0.44 -1.56 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1bsb s THR 70 Cb -0.19 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1bsb s THR 70 CO 0.21 0.01 -0.21 0.26 -0.69 0.00 0.00 174.62 174.20 1bsb s TRP 71 N -1.38 2.05 0.19 4.92 0.52 -1.26 -0.33 118.94 123.64 1bsb s TRP 71 Ca 0.21 -0.55 0.06 0.00 0.02 0.00 0.00 56.10 55.84 1bsb s TRP 71 Cb -0.10 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 1bsb s TRP 71 CO 0.12 -0.15 -0.10 1.03 0.02 0.00 0.00 176.95 177.87 1bsb s ARG 72 N -0.18 1.25 0.16 4.98 0.52 0.35 0.26 118.95 126.28 1bsb s ARG 72 Ca -0.01 -1.57 0.08 0.00 -0.52 0.00 0.00 55.73 53.72 1bsb s ARG 72 Cb -0.12 -0.86 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1bsb s ARG 72 CO 0.02 0.09 -0.16 -1.83 0.02 0.00 0.00 175.30 173.44 1bsb s GLU 73 N -3.72 1.21 -0.05 3.54 -1.05 -0.34 -0.84 118.70 117.44 1bsb s GLU 73 Ca 0.22 -1.40 -0.04 0.00 -0.15 0.00 0.00 54.97 53.60 1bsb s GLU 73 Cb 0.02 -1.16 0.02 0.00 -0.44 0.00 0.00 34.13 32.57 1bsb s GLU 73 CO 0.05 0.22 0.13 0.00 0.95 0.00 0.00 175.26 176.62 1bsb s ALA 74 N -2.28 -0.31 0.25 -0.84 0.00 -0.14 0.69 121.76 119.14 1bsb s ALA 74 Ca 0.15 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1bsb s ALA 74 Cb -0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 1bsb s ALA 74 CO 0.06 -0.08 1.11 -0.51 0.00 0.00 0.00 175.76 176.34 1bsb s ASP 75 N 0.29 7.25 0.13 0.00 1.11 -0.47 0.49 116.67 125.46 1bsb s ASP 75 Ca -0.02 2.24 0.07 0.00 0.18 0.00 0.00 52.55 55.02 1bsb s ASP 75 Cb -0.03 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1bsb s ASP 75 CO -0.01 -0.18 -0.16 0.68 1.18 0.00 0.00 175.17 176.67 1bsb s VAL 76 N -0.87 1.49 -0.85 -1.27 -7.23 -0.59 -4.72 120.40 106.35 1bsb s VAL 76 Ca 0.46 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1bsb s VAL 76 Cb -0.32 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1bsb s VAL 76 CO 0.39 -0.32 0.00 0.59 -0.31 0.00 0.00 175.10 175.45 1bsb n ASN 77 N 0.61 -4.13 -4.78 4.85 3.02 0.27 -4.59 115.26 110.51 1bsb n ASN 77 Ca -0.16 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1bsb n ASN 77 Cb 0.56 -2.34 -0.06 0.00 -0.61 0.00 0.00 39.78 37.33 1bsb n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsb s TYR 78 N -2.24 3.82 0.11 3.10 5.04 -1.26 -4.94 117.35 120.98 1bsb s TYR 78 Ca 0.00 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1bsb s TYR 78 Cb 0.00 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.64 1bsb s TYR 78 CO 0.00 0.48 0.00 0.25 -1.34 0.00 0.00 175.55 174.94 1bsb n THR 79 N 1.95 0.36 -3.94 4.34 -2.24 -1.26 -4.95 114.28 108.54 1bsb n THR 79 Ca -0.07 0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1bsb n THR 79 Cb 0.50 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1bsb n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsb s SER 80 N -5.29 -0.09 0.22 3.42 1.04 -1.26 -4.74 113.70 107.00 1bsb s SER 80 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1bsb s SER 80 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1bsb s SER 80 CO 0.00 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1bsb n GLY 81 N -0.43 -0.09 3.76 7.32 0.00 -1.25 -4.86 105.19 109.64 1bsb n GLY 81 Ca -0.03 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1bsb n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsb s PHE 82 N 0.00 2.42 0.34 1.61 0.08 -1.25 -4.47 117.98 116.70 1bsb s PHE 82 Ca 0.00 1.52 -0.29 0.00 0.12 0.00 0.00 56.93 58.28 1bsb s PHE 82 Cb 0.00 -3.45 -0.11 0.00 -0.57 0.00 0.00 43.02 38.89 1bsb s PHE 82 CO 0.00 -2.14 1.53 1.03 -0.10 0.00 0.00 175.22 175.54 1bsb s ARG 83 N -3.36 4.12 0.02 0.44 0.52 -1.26 -5.01 118.95 114.43 1bsb s ARG 83 Ca 0.77 2.57 -0.00 0.00 -0.52 0.00 0.00 55.73 58.54 1bsb s ARG 83 Cb -0.29 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1bsb s ARG 83 CO 0.33 -0.57 0.02 0.27 0.02 0.00 0.00 175.30 175.37 1bsb n ASN 84 N 1.25 0.00 -0.93 0.23 0.23 -1.26 -5.00 115.26 109.78 1bsb n ASN 84 Ca 0.04 -1.01 0.08 0.00 -0.53 0.00 0.00 54.58 53.16 1bsb n ASN 84 Cb 0.38 -0.02 0.22 0.00 -2.08 0.00 0.00 39.78 38.29 1bsb n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsb n SER 85 N -3.01 3.42 -4.67 0.53 3.41 -1.26 -4.94 113.62 107.09 1bsb n SER 85 Ca 0.00 -2.10 -0.39 0.00 -0.26 0.00 0.00 58.87 56.13 1bsb n SER 85 Cb 0.01 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 1bsb n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsb s ASP 86 N -1.05 6.63 0.03 4.04 1.01 -1.26 -1.83 116.67 124.24 1bsb s ASP 86 Ca 0.34 0.76 0.00 0.00 0.71 0.00 0.00 52.55 54.36 1bsb s ASP 86 Cb 0.19 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1bsb s ASP 86 CO 0.21 -0.17 -0.04 -0.13 0.21 0.00 0.00 175.17 175.25 1bsb s ARG 87 N 1.51 0.41 -0.08 8.23 1.81 0.11 -1.55 118.95 129.40 1bsb s ARG 87 Ca 0.26 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 1bsb s ARG 87 Cb -0.16 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.38 1bsb s ARG 87 CO 0.10 -0.05 -0.09 -1.50 -0.68 0.00 0.00 175.30 173.09 1bsb s ILE 88 N -1.96 3.48 -0.15 1.52 2.07 0.18 -1.78 121.20 124.55 1bsb s ILE 88 Ca -0.10 -0.55 -0.01 0.00 -1.41 0.00 0.00 60.65 58.57 1bsb s ILE 88 Cb -0.06 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 40.09 1bsb s ILE 88 CO -0.03 0.58 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.72 1bsb s LEU 89 N -0.53 2.81 -0.01 8.50 2.01 0.45 -0.96 118.68 130.95 1bsb s LEU 89 Ca 0.08 -0.31 0.02 0.00 0.01 0.00 0.00 54.13 53.93 1bsb s LEU 89 Cb -0.12 -1.66 -0.00 0.00 0.01 0.00 0.00 46.19 44.42 1bsb s LEU 89 CO 0.02 0.13 -0.08 -0.72 1.01 0.00 0.00 176.35 176.71 1bsb s TYR 90 N 0.56 0.76 0.35 0.29 1.13 -0.02 0.08 117.35 120.49 1bsb s TYR 90 Ca -0.07 -0.15 0.07 0.00 -1.41 0.00 0.00 57.07 55.52 1bsb s TYR 90 Cb -0.15 -0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 40.19 1bsb s TYR 90 CO 0.03 -0.02 0.40 -1.54 -2.51 0.00 0.00 175.55 171.91 1bsb s SER 91 N -0.13 5.61 0.58 -0.18 1.04 -0.78 0.13 113.70 119.97 1bsb s SER 91 Ca 0.02 -0.37 0.28 0.00 0.48 0.00 0.00 55.95 56.36 1bsb s SER 91 Cb -0.04 -1.03 1.59 0.00 0.10 0.00 0.00 66.02 66.64 1bsb s SER 91 CO -0.00 -0.45 2.05 0.77 0.98 0.00 0.00 173.24 176.59 1bsb h SER 92 N 1.02 0.00 -0.48 7.02 4.64 -1.04 -1.10 113.55 123.61 1bsb h SER 92 Ca -0.44 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.62 1bsb h SER 92 Cb 1.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 1bsb h SER 92 CO 0.55 0.00 0.03 -0.90 -0.87 0.00 0.00 176.83 175.63 1bsb n ASP 93 N -3.84 2.83 -2.19 4.97 5.68 -1.26 -4.96 116.55 117.78 1bsb n ASP 93 Ca 0.03 -3.77 -0.19 0.00 -0.50 0.00 0.00 54.79 50.36 1bsb n ASP 93 Cb 0.41 -0.67 -0.01 0.00 -1.14 0.00 0.00 41.12 39.71 1bsb n ASP 93 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bsb n TRP 94 N -1.12 -0.89 -2.64 2.11 7.02 -0.42 -5.03 117.44 116.48 1bsb n TRP 94 Ca 0.39 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.48 1bsb n TRP 94 Cb 1.13 -3.75 -0.05 0.00 -2.42 0.00 0.00 31.31 26.22 1bsb n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsb s LEU 95 N -5.53 4.41 -0.06 -0.99 1.43 -1.26 -4.85 118.68 111.82 1bsb s LEU 95 Ca 0.00 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1bsb s LEU 95 Cb 0.00 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.36 1bsb s LEU 95 CO 0.00 -0.14 -0.11 -0.63 0.23 0.00 0.00 176.35 175.70 1bsb s ILE 96 N -1.42 1.08 0.31 -0.59 1.01 -1.25 -1.87 121.20 118.47 1bsb s ILE 96 Ca 0.49 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1bsb s ILE 96 Cb -0.24 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 1bsb s ILE 96 CO 0.31 0.34 -0.02 -0.31 0.00 0.00 0.00 174.94 175.26 1bsb s TYR 97 N 0.70 2.03 0.12 3.97 1.51 0.11 -1.74 117.35 124.05 1bsb s TYR 97 Ca -0.14 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 1bsb s TYR 97 Cb -0.16 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1bsb s TYR 97 CO 0.03 0.23 -0.13 -1.59 -1.11 0.00 0.00 175.55 172.98 1bsb s LYS 98 N -3.77 0.97 0.01 -0.62 -2.85 -0.31 -0.41 119.74 112.77 1bsb s LYS 98 Ca 0.32 -1.22 0.01 0.00 -1.00 0.00 0.00 55.97 54.09 1bsb s LYS 98 Cb 0.06 -0.80 -0.01 0.00 -2.06 0.00 0.00 37.83 35.02 1bsb s LYS 98 CO 0.14 0.15 -0.04 -0.08 0.10 0.00 0.00 175.35 175.61 1bsb s THR 99 N -2.23 0.30 -0.03 3.79 -1.32 -0.74 -0.55 115.64 114.87 1bsb s THR 99 Ca 0.08 -0.41 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1bsb s THR 99 Cb -0.04 -0.30 0.06 0.00 -1.51 0.00 0.00 72.50 70.70 1bsb s THR 99 CO 0.02 -0.08 0.88 0.35 -2.21 0.00 0.00 174.62 173.58 1bsb n THR 100 N 2.55 0.69 -2.55 5.08 -2.24 -1.26 -0.71 114.28 115.85 1bsb n THR 100 Ca -0.16 -0.77 -0.01 0.00 -2.27 0.00 0.00 64.05 60.84 1bsb n THR 100 Cb 0.58 0.51 0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1bsb n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsb n ASP 101 N -0.44 1.81 -3.41 3.42 5.75 -1.15 -4.57 116.55 117.96 1bsb n ASP 101 Ca 0.03 -2.36 -0.19 0.00 -0.01 0.00 0.00 54.79 52.25 1bsb n ASP 101 Cb 0.48 -0.41 0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1bsb n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1bsb n HIS 102 N -0.32 -2.26 -1.55 2.11 8.25 -0.76 -3.09 115.22 117.60 1bsb n HIS 102 Ca 0.12 0.78 -0.18 0.00 -0.26 0.00 0.00 57.72 58.18 1bsb n HIS 102 Cb 0.92 -4.12 -0.07 0.00 1.12 0.00 0.00 29.99 27.83 1bsb n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bsb n TYR 103 N -3.65 -0.21 -0.03 4.41 4.01 -1.26 -4.84 117.16 115.58 1bsb n TYR 103 Ca -0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.48 1bsb n TYR 103 Cb 0.63 -3.10 -0.09 0.00 -0.31 0.00 0.00 39.34 36.46 1bsb n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bsb h GLN 104 N 0.00 0.20 -4.16 -0.72 7.50 -1.96 -3.46 115.11 112.51 1bsb h GLN 104 Ca -0.36 -0.14 -0.19 0.00 0.50 0.00 0.00 58.65 58.46 1bsb h GLN 104 Cb 1.15 0.02 -0.20 0.00 0.05 0.00 0.00 27.48 28.50 1bsb h GLN 104 CO 0.52 0.75 -0.70 0.95 -1.50 0.00 0.00 178.83 178.85 1bsb s THR 105 N -3.86 0.24 -0.02 -0.54 -4.23 -1.26 -5.11 115.64 100.86 1bsb s THR 105 Ca -0.15 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1bsb s THR 105 Cb 0.03 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 1bsb s THR 105 CO 0.73 -0.56 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.70 1bsb s PHE 106 N -1.88 1.71 -0.09 3.99 0.08 -1.26 -4.34 117.98 116.18 1bsb s PHE 106 Ca -0.10 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.64 1bsb s PHE 106 Cb -0.07 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1bsb s PHE 106 CO -0.02 -0.05 -0.23 0.99 -0.10 0.00 0.00 175.22 175.81 1bsb s THR 107 N -0.38 1.97 0.03 0.64 2.01 0.29 -4.95 115.64 115.24 1bsb s THR 107 Ca 0.06 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1bsb s THR 107 Cb -0.08 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1bsb s THR 107 CO -0.00 0.54 1.22 -0.75 -0.69 0.00 0.00 174.62 174.94 1bsb s LYS 108 N 0.33 4.39 0.00 4.92 2.20 -1.26 -1.16 119.74 129.16 1bsb s LYS 108 Ca -0.17 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 1bsb s LYS 108 Cb -0.17 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1bsb s LYS 108 CO 0.08 -0.34 0.07 0.44 -0.36 0.00 0.00 175.35 175.24 1bsb n ILE 109 N 4.18 0.00 -1.20 5.43 -5.35 -0.71 -4.96 119.36 116.75 1bsb n ILE 109 Ca 0.10 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1bsb n ILE 109 Cb 0.46 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1bsb n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33