#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 5.07 -0.02 1.34 1.01 -1.26 -4.86 121.20 122.47 1bsb s ILE 4 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1bsb s ILE 4 Cb 0.00 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 38.40 1bsb s ILE 4 CO 0.00 -0.71 1.06 -0.46 0.00 0.00 0.00 174.94 174.84 1bsb n ASN 5 N 5.65 0.56 -4.85 3.58 6.94 -1.26 -4.80 115.26 121.07 1bsb n ASN 5 Ca -0.10 -2.20 -0.23 0.00 -0.02 0.00 0.00 54.58 52.03 1bsb n ASN 5 Cb 0.44 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.56 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 -0.45 4.65 0.13 5.53 -4.23 -1.26 0.12 115.64 120.13 1bsb s THR 6 Ca 0.13 -1.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.12 1bsb s THR 6 Cb 0.14 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 1bsb s THR 6 CO -0.04 -0.29 1.59 -0.26 -0.54 0.00 0.00 174.62 175.08 1bsb h PHE 7 N 1.62 -1.11 -0.16 3.99 0.04 -1.98 0.03 116.94 119.36 1bsb h PHE 7 Ca -0.49 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 1bsb h PHE 7 Cb 1.23 0.50 -0.01 0.00 2.20 0.00 0.00 35.95 39.87 1bsb h PHE 7 CO 0.54 -0.46 0.05 -0.44 -0.60 0.00 0.00 178.31 177.40 1bsb h ASP 8 N -0.48 0.23 -0.38 2.17 3.32 -1.99 0.54 116.42 119.84 1bsb h ASP 8 Ca 0.08 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.00 1bsb h ASP 8 Cb 0.61 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 1bsb h ASP 8 CO -0.37 0.38 -0.10 1.23 -1.72 0.00 0.00 179.24 178.66 1bsb h GLY 9 N 0.08 0.26 1.39 2.75 0.00 -1.89 -2.34 103.07 103.32 1bsb h GLY 9 Ca 0.05 0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.29 1bsb h GLY 9 CO -0.00 -0.15 -0.86 -2.08 0.00 0.00 0.00 176.54 173.45 1bsb h VAL 10 N -0.01 1.34 -0.84 4.60 2.07 -0.94 -2.25 116.25 120.21 1bsb h VAL 10 Ca 0.18 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1bsb h VAL 10 Cb 0.28 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1bsb h VAL 10 CO -0.39 0.67 0.48 0.00 0.02 0.00 0.00 177.57 178.35 1bsb h ALA 11 N 0.68 1.07 -0.49 1.67 0.00 -0.62 -1.90 119.26 119.68 1bsb h ALA 11 Ca -0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1bsb h ALA 11 Cb 1.48 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1bsb h ALA 11 CO 0.16 0.56 -0.21 -0.44 0.00 0.00 0.00 179.25 179.33 1bsb h ASP 12 N 1.16 1.03 0.02 0.00 3.32 -1.45 -2.57 116.42 117.93 1bsb h ASP 12 Ca 0.30 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1bsb h ASP 12 Cb -0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1bsb h ASP 12 CO -0.05 1.19 -0.07 0.22 -1.72 0.00 0.00 179.24 178.81 1bsb h TYR 13 N 0.86 -0.17 -0.71 4.55 5.03 -1.14 -2.40 116.97 122.99 1bsb h TYR 13 Ca 0.11 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 1bsb h TYR 13 Cb 0.79 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.11 1bsb h TYR 13 CO 0.05 -0.11 0.25 -0.07 -1.32 0.00 0.00 178.16 176.97 1bsb h LEU 14 N -0.13 0.98 -0.61 2.82 3.38 -1.31 0.47 115.31 120.91 1bsb h LEU 14 Ca 0.02 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1bsb h LEU 14 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1bsb h LEU 14 CO -0.06 0.89 -0.64 1.56 0.09 0.00 0.00 178.44 180.28 1bsb h GLN 15 N 1.03 0.20 0.00 1.13 4.20 -1.34 0.33 115.11 120.67 1bsb h GLN 15 Ca 0.23 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1bsb h GLN 15 Cb 0.24 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1bsb h GLN 15 CO -0.02 0.78 0.00 2.41 -0.67 0.00 0.00 178.83 181.33 1bsb n THR 16 N -3.83 0.00 0.21 -0.54 -1.04 -0.91 -4.41 114.28 103.75 1bsb n THR 16 Ca -0.02 0.61 0.09 0.00 -2.04 0.00 0.00 64.05 62.69 1bsb n THR 16 Cb 0.64 -1.42 0.39 0.00 -1.82 0.00 0.00 70.33 68.13 1bsb n THR 16 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1bsb h TYR 17 N 0.00 0.00 -3.32 -1.42 -1.99 -0.19 -3.48 116.97 106.57 1bsb h TYR 17 Ca 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 1bsb h TYR 17 Cb 0.00 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.76 1bsb h TYR 17 CO 0.04 0.25 -0.47 0.72 -0.00 0.00 0.00 178.16 178.70 1bsb n HIS 18 N -3.34 -1.38 -3.54 4.88 8.25 0.12 -4.97 115.22 115.23 1bsb n HIS 18 Ca 0.01 0.32 -0.09 0.00 -0.26 0.00 0.00 57.72 57.70 1bsb n HIS 18 Cb 0.47 -3.67 -0.02 0.00 1.12 0.00 0.00 29.99 27.89 1bsb n HIS 18 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bsb s LYS 19 N -5.31 1.09 0.55 -0.41 3.01 -1.26 -5.06 119.74 112.36 1bsb s LYS 19 Ca 0.19 -0.46 -0.13 0.00 -1.01 0.00 0.00 55.97 54.56 1bsb s LYS 19 Cb -0.08 0.47 -0.06 0.00 -1.01 0.00 0.00 37.83 37.15 1bsb s LYS 19 CO 0.23 -0.48 0.97 -0.51 0.51 0.00 0.00 175.35 176.06 1bsb s LEU 20 N -2.66 3.48 0.76 3.17 1.43 -1.26 -3.91 118.68 119.69 1bsb s LEU 20 Ca 0.05 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1bsb s LEU 20 Cb -0.01 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 41.87 1bsb s LEU 20 CO -0.07 -0.69 1.08 -2.84 0.23 0.00 0.00 176.35 174.06 1bsb s PRO 21 N -4.59 2.34 0.66 1.29 0.02 -1.26 -4.90 135.00 128.56 1bsb s PRO 21 Ca 0.55 1.04 0.28 0.00 0.02 0.00 0.00 61.00 62.89 1bsb s PRO 21 Cb -0.10 -1.92 1.52 0.00 0.02 0.00 0.00 34.50 34.02 1bsb s PRO 21 CO 0.42 -1.55 1.86 -0.44 -0.33 0.00 0.00 177.00 176.96 1bsb h ASP 22 N -1.05 0.00 -0.14 2.53 5.19 -1.96 -2.51 116.42 118.48 1bsb h ASP 22 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1bsb h ASP 22 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1bsb h ASP 22 CO 0.54 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.20 1bsb n ASN 23 N -2.89 0.81 -4.86 6.45 6.94 -1.26 -4.89 115.26 115.57 1bsb n ASN 23 Ca -0.02 -2.01 -0.28 0.00 -0.02 0.00 0.00 54.58 52.25 1bsb n ASN 23 Cb 0.43 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.69 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 -1.79 3.34 -0.07 -2.53 2.02 -0.95 -0.63 117.35 116.74 1bsb s TYR 24 Ca 0.10 0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 56.71 1bsb s TYR 24 Cb 0.05 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1bsb s TYR 24 CO 0.06 0.54 0.44 0.96 -1.57 0.00 0.00 175.55 175.98 1bsb s ILE 25 N -1.59 0.03 0.94 2.71 -4.36 -0.26 -4.87 121.20 113.80 1bsb s ILE 25 Ca 0.32 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.35 1bsb s ILE 25 Cb -0.12 -0.72 0.16 0.00 1.25 0.00 0.00 42.46 43.03 1bsb s ILE 25 CO 0.25 -0.13 1.15 0.42 0.24 0.00 0.00 174.94 176.88 1bsb s THR 26 N -0.87 1.96 0.28 8.37 -4.23 -1.18 -0.30 115.64 119.67 1bsb s THR 26 Ca -0.09 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1bsb s THR 26 Cb -0.03 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.30 1bsb s THR 26 CO 0.05 0.00 1.93 0.11 -0.54 0.00 0.00 174.62 176.16 1bsb h LYS 27 N -1.61 1.13 -0.33 3.99 1.57 -1.97 -2.01 116.57 117.34 1bsb h LYS 27 Ca -0.49 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.04 1bsb h LYS 27 Cb 1.32 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1bsb h LYS 27 CO 0.57 0.78 -0.37 0.66 -0.57 0.00 0.00 179.45 180.53 1bsb h SER 28 N 1.15 0.83 -0.54 0.86 4.64 -1.99 -1.17 113.55 117.32 1bsb h SER 28 Ca 0.30 -0.37 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1bsb h SER 28 Cb -0.05 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 1bsb h SER 28 CO -0.06 1.11 0.17 -0.33 -0.87 0.00 0.00 176.83 176.85 1bsb h GLU 29 N 0.65 0.84 -0.13 4.77 5.08 -1.83 -2.54 114.58 121.42 1bsb h GLU 29 Ca 0.06 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1bsb h GLU 29 Cb 0.92 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1bsb h GLU 29 CO 0.08 0.77 -0.10 0.00 -1.00 0.00 0.00 179.01 178.76 1bsb h ALA 30 N 1.03 0.00 -0.68 3.43 0.00 -1.24 -1.98 119.26 119.83 1bsb h ALA 30 Ca 0.17 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1bsb h ALA 30 Cb 0.28 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1bsb h ALA 30 CO -0.01 -0.55 0.36 1.96 0.00 0.00 0.00 179.25 181.01 1bsb h GLN 31 N -0.11 0.63 -0.56 0.00 4.20 -1.07 -1.69 115.11 116.50 1bsb h GLN 31 Ca 0.08 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1bsb h GLN 31 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1bsb h GLN 31 CO -0.20 0.41 0.37 0.00 -0.67 0.00 0.00 178.83 178.74 1bsb h ALA 32 N 1.37 0.72 0.00 3.87 0.00 -1.13 0.88 119.26 124.97 1bsb h ALA 32 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bsb h ALA 32 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bsb h ALA 32 CO -0.21 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1bsb n LEU 33 N -4.71 0.00 0.00 0.00 4.77 -0.77 -4.85 117.00 111.44 1bsb n LEU 33 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1bsb n LEU 33 Cb 0.03 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1bsb n LEU 33 CO 0.35 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1bsb n GLY 34 N -0.03 1.27 3.69 -0.72 0.00 0.30 -4.91 105.19 104.80 1bsb n GLY 34 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 2.88 -0.29 1.61 -0.00 -0.68 -4.95 118.94 115.50 1bsb s TRP 35 Ca 0.00 0.80 0.03 0.00 -0.00 0.00 0.00 56.10 56.93 1bsb s TRP 35 Cb 0.00 -3.69 0.08 0.00 -0.00 0.00 0.00 33.47 29.86 1bsb s TRP 35 CO 0.00 -2.55 -0.01 0.08 -0.00 0.00 0.00 176.95 174.47 1bsb s VAL 36 N 2.21 1.99 0.30 5.86 1.01 -1.26 -4.48 120.40 126.04 1bsb s VAL 36 Ca 0.65 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.84 1bsb s VAL 36 Cb -0.33 -2.32 0.30 0.00 0.00 0.00 0.00 36.38 34.03 1bsb s VAL 36 CO 0.28 -0.35 1.73 0.00 0.00 0.00 0.00 175.10 176.76 1bsb h ALA 37 N 7.76 1.64 0.00 5.51 0.00 -2.00 0.21 119.26 132.38 1bsb h ALA 37 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bsb h ALA 37 Cb 1.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1bsb h ALA 37 CO 0.48 -0.24 0.00 0.43 0.00 0.00 0.00 179.25 179.92 1bsb n SER 38 N -4.91 0.53 -0.62 0.00 7.64 -1.26 -2.47 113.62 112.53 1bsb n SER 38 Ca 0.24 0.63 0.08 0.00 1.01 0.00 0.00 58.87 60.83 1bsb n SER 38 Cb 0.67 -0.74 0.06 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.08 1.26 -4.17 1.43 5.02 0.04 -5.01 118.16 114.65 1bsb n LYS 39 Ca 0.03 -1.41 -0.32 0.00 -2.02 0.00 0.00 58.31 54.58 1bsb n LYS 39 Cb 0.23 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.91 -0.32 1.38 0.72 0.00 -1.03 -4.86 105.19 102.00 1bsb n GLY 40 Ca 0.09 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.79 4.56 -0.29 1.61 6.94 -1.26 -3.97 115.26 120.06 1bsb n ASN 41 Ca -0.11 -2.62 0.09 0.00 -0.02 0.00 0.00 54.58 51.92 1bsb n ASN 41 Cb 0.58 -0.55 0.24 0.00 -2.36 0.00 0.00 39.78 37.70 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 3.32 0.38 -1.59 -4.53 5.85 -1.88 -0.02 115.31 116.84 1bsb h LEU 42 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1bsb h LEU 42 Cb 1.48 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1bsb h LEU 42 CO 0.26 0.11 -0.21 0.00 -0.34 0.00 0.00 178.44 178.25 1bsb h ALA 43 N 1.61 1.31 0.09 1.25 0.00 -1.83 0.24 119.26 121.94 1bsb h ALA 43 Ca 0.48 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1bsb h ALA 43 Cb 0.79 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1bsb h ALA 43 CO -0.44 0.26 -1.18 -0.44 0.00 0.00 0.00 179.25 177.45 1bsb h ASP 44 N 0.00 0.81 0.48 0.00 3.32 -1.38 -3.29 116.42 116.35 1bsb h ASP 44 Ca -0.00 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.32 1bsb h ASP 44 Cb 0.48 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1bsb h ASP 44 CO 0.03 1.54 -1.40 1.33 -1.72 0.00 0.00 179.24 179.01 1bsb n VAL 45 N -3.77 0.28 -3.15 -1.35 0.24 -0.70 -4.59 118.33 105.29 1bsb n VAL 45 Ca -0.12 -0.46 -0.21 0.00 -2.04 0.00 0.00 64.34 61.51 1bsb n VAL 45 Cb 0.96 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 1bsb n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsb n ALA 46 N -2.13 1.99 -1.61 2.33 0.00 0.81 -4.92 120.51 116.97 1bsb n ALA 46 Ca -0.01 -3.22 -0.48 0.00 0.00 0.00 0.00 53.44 49.72 1bsb n ALA 46 Cb 0.53 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 1.10 1.46 -1.15 0.00 -0.02 -1.24 -1.55 135.00 133.60 1bsb n PRO 47 Ca 0.21 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.16 1bsb n PRO 47 Cb 0.57 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.32 0.73 3.86 -1.23 0.00 -1.26 -5.02 105.19 104.58 1bsb n GLY 48 Ca 0.15 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.94 3.02 0.06 1.61 -0.14 -0.59 -4.81 119.74 116.94 1bsb s LYS 49 Ca 0.00 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.64 1bsb s LYS 49 Cb 0.00 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1bsb s LYS 49 CO 0.00 0.38 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.73 1bsb s SER 50 N -3.89 1.38 0.02 2.83 0.01 0.20 -4.88 113.70 109.37 1bsb s SER 50 Ca 0.34 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 1bsb s SER 50 Cb -0.08 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1bsb s SER 50 CO 0.26 -0.13 1.10 -0.63 0.41 0.00 0.00 173.24 174.25 1bsb s ILE 51 N -1.35 4.43 -0.07 1.44 -1.09 -1.26 -1.10 121.20 122.20 1bsb s ILE 51 Ca -0.05 1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 59.81 1bsb s ILE 51 Cb -0.10 -4.12 0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1bsb s ILE 51 CO 0.02 0.11 0.98 -0.83 -1.23 0.00 0.00 174.94 173.99 1bsb s GLY 52 N 1.09 -0.39 0.00 6.18 0.00 0.59 -0.79 107.32 113.98 1bsb s GLY 52 Ca 0.55 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1bsb s GLY 52 CO 0.27 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.46 1bsb n GLY 53 N -0.07 0.40 3.77 0.20 0.00 0.05 -3.10 105.19 106.44 1bsb n GLY 53 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.92 5.28 0.24 1.61 1.01 -1.23 -4.78 116.67 116.88 1bsb s ASP 54 Ca 0.00 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 54.97 1bsb s ASP 54 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1bsb s ASP 54 CO 0.00 -1.52 1.05 -0.63 0.21 0.00 0.00 175.17 174.28 1bsb s ILE 55 N -2.25 3.77 -0.21 0.77 -1.09 -1.26 -1.56 121.20 119.37 1bsb s ILE 55 Ca 0.68 1.72 -0.04 0.00 -2.23 0.00 0.00 60.65 60.77 1bsb s ILE 55 Cb -0.21 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 1bsb s ILE 55 CO 0.39 0.39 -0.03 0.12 -1.23 0.00 0.00 174.94 174.57 1bsb s PHE 56 N -0.96 2.97 0.20 3.97 2.19 0.56 -4.85 117.98 122.07 1bsb s PHE 56 Ca 0.44 -0.74 -0.08 0.00 0.33 0.00 0.00 56.93 56.89 1bsb s PHE 56 Cb -0.29 -2.08 0.14 0.00 -1.31 0.00 0.00 43.02 39.47 1bsb s PHE 56 CO 0.37 -0.42 1.71 0.66 1.83 0.00 0.00 175.22 179.37 1bsb h SER 57 N 7.81 1.04 -2.93 6.13 4.64 -1.96 -3.36 113.55 124.92 1bsb h SER 57 Ca -0.38 -0.24 -0.16 0.00 -0.47 0.00 0.00 61.79 60.54 1bsb h SER 57 Cb 1.17 -0.28 0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1bsb h SER 57 CO 0.60 1.03 -0.27 -3.20 -0.87 0.00 0.00 176.83 174.12 1bsb n ASN 58 N -4.22 -3.74 -0.09 4.97 5.15 -1.26 -4.88 115.26 111.20 1bsb n ASN 58 Ca 0.04 -0.21 0.06 0.00 -0.60 0.00 0.00 54.58 53.87 1bsb n ASN 58 Cb 0.29 -2.30 0.40 0.00 -0.53 0.00 0.00 39.78 37.63 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 -1.08 0.62 -0.05 1.20 0.11 -2.00 0.21 114.38 113.39 1bsb h ARG 59 Ca -0.23 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1bsb h ARG 59 Cb 1.15 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1bsb h ARG 59 CO 0.22 0.41 0.00 0.39 0.10 0.00 0.00 179.97 181.09 1bsb n GLU 60 N -4.47 1.23 -1.10 0.08 -0.58 -1.26 -4.89 120.64 109.64 1bsb n GLU 60 Ca 0.07 -0.34 -0.04 0.00 -0.42 0.00 0.00 57.16 56.43 1bsb n GLU 60 Cb 0.15 -1.30 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 1bsb n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bsb n GLY 61 N 0.88 0.35 0.34 0.62 0.00 0.74 -4.81 105.19 103.31 1bsb n GLY 61 Ca 0.14 -0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.38 1bsb n GLY 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bsb h LYS 62 N 0.02 0.00 -6.16 1.61 -0.00 -1.90 -3.40 116.57 106.73 1bsb h LYS 62 Ca -0.07 0.00 -0.69 0.00 -0.00 0.00 0.00 60.65 59.89 1bsb h LYS 62 Cb 1.04 0.00 -0.20 0.00 -0.00 0.00 0.00 32.23 33.07 1bsb h LYS 62 CO 0.11 0.00 -0.71 -0.51 -0.00 0.00 0.00 179.45 178.34 1bsb s LEU 63 N -6.19 3.10 -0.05 7.07 1.43 -1.26 -4.96 118.68 117.82 1bsb s LEU 63 Ca -0.05 -0.05 -0.38 0.00 -1.03 0.00 0.00 54.13 52.62 1bsb s LEU 63 Cb 0.13 -1.67 -0.16 0.00 0.03 0.00 0.00 46.19 44.51 1bsb s LEU 63 CO 0.42 0.36 1.47 -0.81 0.23 0.00 0.00 176.35 178.02 1bsb n PRO 64 N 2.26 1.10 -3.96 1.29 -0.04 -1.26 -4.99 135.00 129.40 1bsb n PRO 64 Ca -0.18 0.40 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 1bsb n PRO 64 Cb 0.53 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1bsb n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bsb s GLY 65 N 1.54 1.50 -0.21 0.55 0.00 -1.26 -5.07 107.32 104.37 1bsb s GLY 65 Ca 0.90 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.21 1bsb s GLY 65 CO 0.54 -1.13 1.11 1.25 0.00 0.00 0.00 173.10 174.87 1bsb s LYS 66 N -3.55 0.43 0.25 2.90 2.20 -1.26 -5.08 119.74 115.63 1bsb s LYS 66 Ca 0.34 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 1bsb s LYS 66 Cb -0.10 0.20 -0.10 0.00 -1.51 0.00 0.00 37.83 36.32 1bsb s LYS 66 CO 0.29 -0.12 1.37 0.45 -0.36 0.00 0.00 175.35 176.98 1bsb s SER 67 N -0.82 6.75 0.00 1.43 0.15 -1.26 -1.44 113.70 118.52 1bsb s SER 67 Ca 0.02 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.26 1bsb s SER 67 Cb -0.02 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1bsb s SER 67 CO -0.03 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1bsb n GLY 68 N 1.93 0.94 3.66 9.45 0.00 -1.26 -5.00 105.19 114.91 1bsb n GLY 68 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.00 4.17 -0.00 1.61 3.52 -0.52 -4.91 118.95 122.81 1bsb s ARG 69 Ca 0.00 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 1bsb s ARG 69 Cb 0.00 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1bsb s ARG 69 CO 0.00 -0.17 -0.08 0.99 -0.81 0.00 0.00 175.30 175.23 1bsb s THR 70 N 1.70 3.53 0.12 4.11 2.01 -1.26 -4.79 115.64 121.06 1bsb s THR 70 Ca 0.23 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1bsb s THR 70 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1bsb s THR 70 CO 0.09 0.42 -0.08 0.26 -0.69 0.00 0.00 174.62 174.62 1bsb s TRP 71 N -0.95 2.76 0.21 4.92 0.52 -1.26 -2.13 118.94 123.01 1bsb s TRP 71 Ca 0.16 -0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.18 1bsb s TRP 71 Cb -0.11 -1.42 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 1bsb s TRP 71 CO 0.06 0.45 -0.07 1.03 0.02 0.00 0.00 176.95 178.44 1bsb s ARG 72 N -2.37 1.28 0.06 4.98 0.52 0.13 -0.32 118.95 123.23 1bsb s ARG 72 Ca 0.23 -1.60 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 1bsb s ARG 72 Cb -0.11 -0.79 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 1bsb s ARG 72 CO 0.15 0.03 -0.07 -1.83 0.02 0.00 0.00 175.30 173.59 1bsb s GLU 73 N -3.77 0.63 -0.03 3.54 -1.05 -0.60 -0.14 118.70 117.29 1bsb s GLU 73 Ca 0.24 -0.95 -0.07 0.00 -0.15 0.00 0.00 54.97 54.03 1bsb s GLU 73 Cb 0.03 -0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.46 1bsb s GLU 73 CO 0.06 0.03 0.17 0.00 0.95 0.00 0.00 175.26 176.47 1bsb s ALA 74 N -2.12 -0.41 0.36 -0.84 0.00 -0.45 -0.77 121.76 117.52 1bsb s ALA 74 Ca -0.03 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 1bsb s ALA 74 Cb -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1bsb s ALA 74 CO -0.01 -0.16 1.02 -0.51 0.00 0.00 0.00 175.76 176.10 1bsb s ASP 75 N -0.73 7.03 0.13 0.00 1.11 0.03 -0.76 116.67 123.48 1bsb s ASP 75 Ca -0.08 2.00 0.08 0.00 0.18 0.00 0.00 52.55 54.73 1bsb s ASP 75 Cb -0.05 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1bsb s ASP 75 CO 0.01 -0.29 -0.20 -0.69 1.18 0.00 0.00 175.17 175.18 1bsb s VAL 76 N -1.57 1.75 -1.19 -1.27 1.01 -1.05 -4.70 120.40 113.37 1bsb s VAL 76 Ca 0.53 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1bsb s VAL 76 Cb -0.22 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1bsb s VAL 76 CO 0.28 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.79 1bsb n ASN 77 N 0.72 -5.48 -4.73 3.32 3.02 0.32 -4.65 115.26 107.78 1bsb n ASN 77 Ca -0.17 0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 1bsb n ASN 77 Cb 0.55 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.72 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 -2.04 3.73 0.00 3.10 5.04 -1.26 -4.93 117.35 120.99 1bsb s TYR 78 Ca 0.00 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1bsb s TYR 78 Cb 0.00 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1bsb s TYR 78 CO 0.00 0.15 0.00 0.25 -1.34 0.00 0.00 175.55 174.61 1bsb n THR 79 N 3.21 0.00 -3.65 4.34 -2.24 -1.26 -4.93 114.28 109.75 1bsb n THR 79 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1bsb n THR 79 Cb 0.50 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 -4.40 -0.33 0.00 3.42 1.04 -1.26 -4.79 113.70 107.39 1bsb s SER 80 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1bsb s SER 80 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1bsb s SER 80 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1bsb n GLY 81 N -0.39 -1.11 3.77 7.32 0.00 -1.25 -4.88 105.19 108.64 1bsb n GLY 81 Ca -0.09 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 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 2.84 0.75 1.61 0.08 -1.26 -4.42 117.98 117.58 1bsb s PHE 82 Ca 0.00 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 1bsb s PHE 82 Cb 0.00 -3.33 0.05 0.00 -0.57 0.00 0.00 43.02 39.17 1bsb s PHE 82 CO 0.00 -1.46 1.24 1.03 -0.10 0.00 0.00 175.22 175.93 1bsb s ARG 83 N -2.87 1.96 0.00 0.44 0.52 -1.26 -5.00 118.95 112.73 1bsb s ARG 83 Ca 0.66 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 1bsb s ARG 83 Cb -0.27 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1bsb s ARG 83 CO 0.32 -2.01 0.00 0.27 0.02 0.00 0.00 175.30 173.90 1bsb n ASN 84 N -2.79 0.00 -0.75 0.23 0.23 -1.26 -5.04 115.26 105.88 1bsb n ASN 84 Ca 0.14 -0.74 0.09 0.00 -0.53 0.00 0.00 54.58 53.54 1bsb n ASN 84 Cb 0.50 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.30 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 -2.21 2.65 -4.71 0.53 3.41 -1.26 -4.97 113.62 107.05 1bsb n SER 85 Ca 0.00 -1.78 -0.39 0.00 -0.26 0.00 0.00 58.87 56.44 1bsb n SER 85 Cb 0.00 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.34 6.83 0.01 4.04 1.01 -1.26 -1.78 116.67 124.18 1bsb s ASP 86 Ca 0.23 1.00 -0.07 0.00 0.71 0.00 0.00 52.55 54.43 1bsb s ASP 86 Cb 0.15 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.73 1bsb s ASP 86 CO 0.22 -0.09 0.13 -0.13 0.21 0.00 0.00 175.17 175.51 1bsb s ARG 87 N 0.85 0.49 -0.09 8.23 1.81 0.06 -2.54 118.95 127.76 1bsb s ARG 87 Ca 0.32 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.89 1bsb s ARG 87 Cb -0.16 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 1bsb s ARG 87 CO 0.14 -0.12 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.10 1bsb s ILE 88 N -1.47 3.84 -0.11 1.52 2.07 0.06 -2.17 121.20 124.95 1bsb s ILE 88 Ca -0.14 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1bsb s ILE 88 Cb -0.07 -2.60 0.00 0.00 0.13 0.00 0.00 42.46 39.91 1bsb s ILE 88 CO 0.01 0.58 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.64 1bsb s LEU 89 N -0.58 2.17 0.00 8.50 2.01 -0.00 -1.34 118.68 129.43 1bsb s LEU 89 Ca 0.09 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.70 1bsb s LEU 89 Cb -0.12 -1.44 -0.01 0.00 0.01 0.00 0.00 46.19 44.64 1bsb s LEU 89 CO 0.02 0.15 -0.05 -0.72 1.01 0.00 0.00 176.35 176.76 1bsb s TYR 90 N 0.43 0.44 0.50 0.29 1.13 0.81 -0.79 117.35 120.15 1bsb s TYR 90 Ca -0.16 -0.15 0.05 0.00 -1.41 0.00 0.00 57.07 55.40 1bsb s TYR 90 Cb -0.17 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.44 1bsb s TYR 90 CO 0.07 -0.02 0.69 -1.54 -2.51 0.00 0.00 175.55 172.23 1bsb s SER 91 N -0.35 5.40 0.52 -0.18 1.04 -0.78 0.22 113.70 119.57 1bsb s SER 91 Ca -0.00 -0.28 0.33 0.00 0.48 0.00 0.00 55.95 56.48 1bsb s SER 91 Cb -0.03 -0.65 1.46 0.00 0.10 0.00 0.00 66.02 66.90 1bsb s SER 91 CO -0.00 -1.01 1.99 0.77 0.98 0.00 0.00 173.24 175.97 1bsb h SER 92 N 0.32 0.00 -0.54 7.02 4.64 -1.78 -1.84 113.55 121.38 1bsb h SER 92 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1bsb h SER 92 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bsb h SER 92 CO 0.47 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.53 1bsb n ASP 93 N -2.94 4.52 -1.78 4.97 5.75 -1.26 -4.98 116.55 120.83 1bsb n ASP 93 Ca 0.00 -2.55 -0.13 0.00 -0.01 0.00 0.00 54.79 52.11 1bsb n ASP 93 Cb 0.25 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1bsb n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsb n TRP 94 N 0.72 -1.05 -2.95 2.11 7.02 -0.69 -5.04 117.44 117.56 1bsb n TRP 94 Ca 0.24 0.25 -0.37 0.00 -1.02 0.00 0.00 57.50 56.60 1bsb n TRP 94 Cb 0.87 -3.01 -0.06 0.00 -2.42 0.00 0.00 31.31 26.70 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 -4.01 4.37 -0.07 -0.99 1.43 -1.26 -4.81 118.68 113.34 1bsb s LEU 95 Ca 0.15 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1bsb s LEU 95 Cb -0.06 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1bsb s LEU 95 CO 0.18 0.01 -0.20 -0.63 0.23 0.00 0.00 176.35 175.94 1bsb s ILE 96 N -1.52 1.67 0.13 -0.59 -1.09 -0.54 -1.86 121.20 117.40 1bsb s ILE 96 Ca 0.45 -0.82 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1bsb s ILE 96 Cb -0.18 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1bsb s ILE 96 CO 0.23 0.47 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.99 1bsb s TYR 97 N 0.25 1.26 0.15 3.97 1.51 0.03 -1.26 117.35 123.26 1bsb s TYR 97 Ca -0.11 -0.67 0.06 0.00 -1.01 0.00 0.00 57.07 55.34 1bsb s TYR 97 Cb -0.15 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1bsb s TYR 97 CO 0.05 0.09 -0.13 -1.59 -1.11 0.00 0.00 175.55 172.86 1bsb s LYS 98 N -3.21 1.09 -0.06 -0.62 -2.85 0.89 -0.82 119.74 114.16 1bsb s LYS 98 Ca 0.12 -1.38 -0.04 0.00 -1.00 0.00 0.00 55.97 53.67 1bsb s LYS 98 Cb -0.01 -0.85 0.02 0.00 -2.06 0.00 0.00 37.83 34.93 1bsb s LYS 98 CO 0.01 0.14 0.15 -0.08 0.10 0.00 0.00 175.35 175.68 1bsb s THR 99 N -2.68 -0.02 -0.03 3.79 -1.32 -0.92 -0.68 115.64 113.77 1bsb s THR 99 Ca 0.14 0.07 0.04 0.00 -1.21 0.00 0.00 61.69 60.73 1bsb s THR 99 Cb -0.02 -0.24 0.06 0.00 -1.51 0.00 0.00 72.50 70.80 1bsb s THR 99 CO 0.03 0.03 0.98 0.35 -2.21 0.00 0.00 174.62 173.79 1bsb n THR 100 N 3.50 1.04 -2.45 5.08 -2.24 -1.26 -0.76 114.28 117.19 1bsb n THR 100 Ca -0.18 -1.12 -0.09 0.00 -2.27 0.00 0.00 64.05 60.38 1bsb n THR 100 Cb 0.56 0.40 0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.63 2.90 -3.45 3.42 5.68 -1.19 -4.56 116.55 118.72 1bsb n ASP 101 Ca 0.03 -2.78 -0.19 0.00 -0.50 0.00 0.00 54.79 51.35 1bsb n ASP 101 Cb 0.38 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 40.01 1bsb n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bsb n HIS 102 N -0.61 -2.21 -2.26 2.11 8.25 -0.73 -3.32 115.22 116.44 1bsb n HIS 102 Ca 0.22 0.83 -0.13 0.00 -0.26 0.00 0.00 57.72 58.38 1bsb n HIS 102 Cb 0.88 -4.41 -0.01 0.00 1.12 0.00 0.00 29.99 27.57 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 -3.83 -1.20 0.08 4.41 4.02 -1.26 -4.88 117.16 114.50 1bsb n TYR 103 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.49 1bsb n TYR 103 Cb 0.64 -2.87 -0.13 0.00 -0.02 0.00 0.00 39.34 36.97 1bsb n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bsb h GLN 104 N 0.00 0.58 -4.60 -0.72 4.20 -1.96 -3.46 115.11 109.15 1bsb h GLN 104 Ca -0.31 -0.77 -0.37 0.00 0.06 0.00 0.00 58.65 57.26 1bsb h GLN 104 Cb 1.18 0.25 -0.28 0.00 0.30 0.00 0.00 27.48 28.93 1bsb h GLN 104 CO 0.38 1.34 -0.77 0.99 -0.67 0.00 0.00 178.83 180.11 1bsb s THR 105 N -2.97 0.61 0.09 -0.54 2.01 -1.26 -5.12 115.64 108.46 1bsb s THR 105 Ca -0.10 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1bsb s THR 105 Cb 0.05 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1bsb s THR 105 CO 0.91 0.14 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.46 1bsb s PHE 106 N -0.26 1.43 -0.00 4.92 0.08 -1.26 -4.29 117.98 118.60 1bsb s PHE 106 Ca 0.02 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.62 1bsb s PHE 106 Cb -0.03 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1bsb s PHE 106 CO -0.00 0.12 -0.03 0.99 -0.10 0.00 0.00 175.22 176.20 1bsb s THR 107 N -1.39 0.22 0.18 0.64 2.01 0.14 -4.94 115.64 112.49 1bsb s THR 107 Ca 0.03 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1bsb s THR 107 Cb -0.09 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 1bsb s THR 107 CO 0.03 0.06 1.31 -0.75 -0.69 0.00 0.00 174.62 174.58 1bsb s LYS 108 N -0.05 4.39 0.00 4.92 2.20 -1.26 -0.08 119.74 129.86 1bsb s LYS 108 Ca 0.01 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 1bsb s LYS 108 Cb -0.01 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1bsb s LYS 108 CO -0.00 -0.28 0.00 0.44 -0.36 0.00 0.00 175.35 175.15 1bsb n ILE 109 N 2.93 0.00 -1.51 5.43 -5.35 -0.39 -4.90 119.36 115.57 1bsb n ILE 109 Ca 0.07 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1bsb n ILE 109 Cb 0.43 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1bsb n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33