#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnf s ILE 4 N 0.00 5.08 0.00 1.34 1.01 -1.26 -4.85 121.20 122.53 1bnf s ILE 4 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1bnf s ILE 4 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1bnf s ILE 4 CO 0.00 -0.62 0.84 -0.46 0.00 0.00 0.00 174.94 174.71 1bnf n ASN 5 N 5.17 0.00 -4.96 3.58 6.94 -1.26 -4.78 115.26 119.94 1bnf n ASN 5 Ca -0.12 -1.71 -0.22 0.00 -0.02 0.00 0.00 54.58 52.50 1bnf n ASN 5 Cb 0.43 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.69 1bnf n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bnf s THR 6 N 0.00 5.16 0.15 5.53 -4.23 -1.26 0.41 115.64 121.40 1bnf s THR 6 Ca 0.00 -0.80 -0.22 0.00 -1.18 0.00 0.00 61.69 59.49 1bnf s THR 6 Cb 0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 1bnf s THR 6 CO 0.00 -0.41 1.64 -0.26 -0.54 0.00 0.00 174.62 175.05 1bnf h PHE 7 N 1.00 -0.55 -0.14 3.99 0.04 -1.99 0.77 116.94 120.07 1bnf h PHE 7 Ca -0.51 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.26 1bnf h PHE 7 Cb 1.23 0.28 -0.00 0.00 2.20 0.00 0.00 35.95 39.65 1bnf h PHE 7 CO 0.47 -0.29 -0.04 -0.44 -0.60 0.00 0.00 178.31 177.41 1bnf h ASP 8 N -0.23 0.27 -0.14 2.17 3.32 -1.98 -1.11 116.42 118.73 1bnf h ASP 8 Ca 0.13 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1bnf h ASP 8 Cb 0.42 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1bnf h ASP 8 CO -0.34 0.59 0.06 1.23 -1.72 0.00 0.00 179.24 179.05 1bnf h GLY 9 N -0.04 0.18 1.44 2.75 0.00 -1.92 0.40 103.07 105.88 1bnf h GLY 9 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1bnf h GLY 9 CO 0.01 0.04 -0.47 -2.08 0.00 0.00 0.00 176.54 174.04 1bnf h VAL 10 N 0.14 1.31 0.51 4.60 2.07 -0.91 0.56 116.25 124.53 1bnf h VAL 10 Ca 0.06 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1bnf h VAL 10 Cb 0.02 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1bnf h VAL 10 CO -0.05 0.53 -0.31 0.00 0.02 0.00 0.00 177.57 177.75 1bnf h ALA 11 N 1.00 -0.79 -0.72 1.67 0.00 -0.73 0.38 119.26 120.07 1bnf h ALA 11 Ca 0.03 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1bnf h ALA 11 Cb 1.00 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1bnf h ALA 11 CO 0.09 -0.96 0.44 -0.44 0.00 0.00 0.00 179.25 178.38 1bnf h ASP 12 N -0.79 0.70 -0.46 0.00 3.32 -0.17 -2.56 116.42 116.46 1bnf h ASP 12 Ca -0.06 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1bnf h ASP 12 Cb 0.64 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1bnf h ASP 12 CO 0.06 0.47 0.26 0.22 -1.72 0.00 0.00 179.24 178.53 1bnf h TYR 13 N 0.83 0.63 -0.59 4.55 5.03 -0.67 -3.00 116.97 123.75 1bnf h TYR 13 Ca 0.30 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 1bnf h TYR 13 Cb 0.09 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 1bnf h TYR 13 CO -0.05 0.46 0.14 -0.07 -1.32 0.00 0.00 178.16 177.33 1bnf h LEU 14 N 0.61 0.87 -1.57 2.82 3.38 -0.53 -2.69 115.31 118.20 1bnf h LEU 14 Ca 0.16 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1bnf h LEU 14 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1bnf h LEU 14 CO -0.03 0.85 -0.22 1.56 0.09 0.00 0.00 178.44 180.69 1bnf h GLN 15 N 0.89 0.00 0.00 1.13 4.20 -1.41 -1.10 115.11 118.82 1bnf h GLN 15 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1bnf h GLN 15 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1bnf h GLN 15 CO 0.00 0.22 0.00 2.41 -0.67 0.00 0.00 178.83 180.79 1bnf n THR 16 N -4.24 0.00 0.29 -0.54 -1.04 -1.14 -4.66 114.28 102.95 1bnf n THR 16 Ca -0.02 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.16 1bnf n THR 16 Cb 0.28 -0.32 0.85 0.00 -1.82 0.00 0.00 70.33 69.32 1bnf n THR 16 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1bnf h TYR 17 N 0.00 0.00 -2.05 -1.42 -1.99 -1.64 -3.47 116.97 106.41 1bnf h TYR 17 Ca 0.00 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.45 1bnf h TYR 17 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1bnf h TYR 17 CO 0.00 0.05 -0.36 0.72 -0.00 0.00 0.00 178.16 178.57 1bnf n HIS 18 N -3.27 -0.70 -3.67 4.88 8.25 -0.42 -4.98 115.22 115.32 1bnf n HIS 18 Ca -0.01 0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1bnf n HIS 18 Cb 0.22 -3.00 -0.02 0.00 1.12 0.00 0.00 29.99 28.31 1bnf n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bnf s LYS 19 N -4.73 1.52 0.59 -0.41 -2.85 -1.25 -5.05 119.74 107.56 1bnf s LYS 19 Ca 0.01 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 54.11 1bnf s LYS 19 Cb -0.00 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 1bnf s LYS 19 CO 0.01 -0.69 1.02 -0.51 0.10 0.00 0.00 175.35 175.28 1bnf s LEU 20 N -2.84 3.37 0.82 2.77 1.43 -1.26 -4.04 118.68 118.94 1bnf s LEU 20 Ca 0.07 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1bnf s LEU 20 Cb -0.04 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.78 1bnf s LEU 20 CO -0.02 -0.82 1.09 -2.16 0.23 0.00 0.00 176.35 174.68 1bnf s PRO 21 N -4.74 1.86 0.11 1.29 0.05 -1.26 -4.92 135.00 127.39 1bnf s PRO 21 Ca 0.57 1.03 0.05 0.00 0.05 0.00 0.00 61.00 62.70 1bnf s PRO 21 Cb -0.11 -1.86 0.27 0.00 0.05 0.00 0.00 34.50 32.84 1bnf s PRO 21 CO 0.45 -1.88 1.00 -0.40 0.05 0.00 0.00 177.00 176.23 1bnf n ASP 22 N -3.66 0.13 -0.60 6.66 5.68 -1.26 -2.37 116.55 121.12 1bnf n ASP 22 Ca 0.08 0.41 0.09 0.00 -0.50 0.00 0.00 54.79 54.87 1bnf n ASP 22 Cb 0.54 -0.40 0.29 0.00 -1.14 0.00 0.00 41.12 40.41 1bnf n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1bnf n ASN 23 N -1.58 1.79 -4.77 -1.12 6.94 -1.26 -4.91 115.26 110.34 1bnf n ASN 23 Ca -0.00 -1.82 -0.32 0.00 -0.02 0.00 0.00 54.58 52.42 1bnf n ASN 23 Cb 0.21 -0.16 -0.07 0.00 -2.36 0.00 0.00 39.78 37.40 1bnf n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnf s TYR 24 N -1.68 3.24 0.02 -2.53 2.02 -1.00 -0.79 117.35 116.63 1bnf s TYR 24 Ca 0.29 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1bnf s TYR 24 Cb 0.16 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1bnf s TYR 24 CO 0.23 0.53 -0.04 0.96 -1.57 0.00 0.00 175.55 175.66 1bnf s ILE 25 N -1.24 0.21 0.71 2.71 -4.36 -0.54 -4.89 121.20 113.80 1bnf s ILE 25 Ca 0.25 -0.79 -0.10 0.00 -0.26 0.00 0.00 60.65 59.74 1bnf s ILE 25 Cb -0.12 -0.31 0.03 0.00 1.25 0.00 0.00 42.46 43.31 1bnf s ILE 25 CO 0.16 -0.37 1.08 0.42 0.24 0.00 0.00 174.94 176.47 1bnf s THR 26 N -1.17 3.12 0.23 8.37 -4.23 -1.23 -0.20 115.64 120.54 1bnf s THR 26 Ca -0.11 0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.58 1bnf s THR 26 Cb -0.08 -3.34 0.21 0.00 1.34 0.00 0.00 72.50 70.62 1bnf s THR 26 CO -0.00 -0.43 1.89 0.11 -0.54 0.00 0.00 174.62 175.64 1bnf h LYS 27 N -0.67 1.10 -0.65 3.99 1.57 -1.96 -2.01 116.57 117.94 1bnf h LYS 27 Ca -0.45 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1bnf h LYS 27 Cb 1.27 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1bnf h LYS 27 CO 0.64 0.73 0.33 0.66 -0.57 0.00 0.00 179.45 181.23 1bnf h SER 28 N 1.14 0.84 -0.57 0.86 4.64 -1.99 0.10 113.55 118.57 1bnf h SER 28 Ca 0.33 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1bnf h SER 28 Cb -0.07 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 1bnf h SER 28 CO -0.09 0.72 0.22 -0.33 -0.87 0.00 0.00 176.83 176.48 1bnf h GLU 29 N 0.89 0.86 -0.40 4.77 5.08 -1.85 -1.64 114.58 122.30 1bnf h GLU 29 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1bnf h GLU 29 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1bnf h GLU 29 CO -0.03 0.75 0.11 0.00 -1.00 0.00 0.00 179.01 178.84 1bnf h ALA 30 N 1.07 0.53 -0.77 3.43 0.00 -1.04 -2.81 119.26 119.66 1bnf h ALA 30 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bnf h ALA 30 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bnf h ALA 30 CO -0.01 0.19 0.44 1.96 0.00 0.00 0.00 179.25 181.83 1bnf h GLN 31 N 0.50 1.05 0.00 0.00 4.20 -0.33 -1.85 115.11 118.68 1bnf h GLN 31 Ca 0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1bnf h GLN 31 Cb 0.29 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1bnf h GLN 31 CO -0.00 0.75 -0.21 0.00 -0.67 0.00 0.00 178.83 178.71 1bnf h ALA 32 N 1.42 1.25 -0.01 3.87 0.00 -1.09 -2.34 119.26 122.36 1bnf h ALA 32 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bnf h ALA 32 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bnf h ALA 32 CO -0.05 0.26 -0.04 1.28 0.00 0.00 0.00 179.25 180.71 1bnf n LEU 33 N -3.70 0.92 0.00 0.00 4.77 -0.84 -4.91 117.00 113.24 1bnf n LEU 33 Ca -0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1bnf n LEU 33 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1bnf n LEU 33 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1bnf n GLY 34 N 1.16 1.04 3.71 -0.72 0.00 -0.88 -4.87 105.19 104.62 1bnf n GLY 34 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1bnf n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnf s TRP 35 N -2.00 2.94 -0.33 1.61 -0.00 -0.76 -4.97 118.94 115.42 1bnf s TRP 35 Ca 0.00 0.55 0.03 0.00 -0.00 0.00 0.00 56.10 56.68 1bnf s TRP 35 Cb 0.00 -3.95 0.10 0.00 -0.00 0.00 0.00 33.47 29.62 1bnf s TRP 35 CO 0.00 -3.57 0.06 0.08 -0.00 0.00 0.00 176.95 173.53 1bnf s VAL 36 N 1.41 1.95 0.29 5.86 1.01 -1.26 -4.54 120.40 125.13 1bnf s VAL 36 Ca 0.71 -2.14 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1bnf s VAL 36 Cb -0.43 -2.45 0.31 0.00 0.00 0.00 0.00 36.38 33.80 1bnf s VAL 36 CO 0.31 -0.62 1.65 0.00 0.00 0.00 0.00 175.10 176.45 1bnf h ALA 37 N 7.71 1.34 0.00 5.51 0.00 -1.98 -0.56 119.26 131.28 1bnf h ALA 37 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bnf h ALA 37 Cb 1.02 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1bnf h ALA 37 CO 0.51 -0.46 0.00 0.77 0.00 0.00 0.00 179.25 180.07 1bnf h SER 38 N 0.24 0.00 -0.00 0.00 0.02 -2.03 -2.59 113.55 109.18 1bnf h SER 38 Ca 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1bnf h SER 38 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1bnf h SER 38 CO -0.63 0.00 -0.77 0.29 -1.14 0.00 0.00 176.83 174.57 1bnf n LYS 39 N -2.53 1.44 -3.94 3.45 5.02 -0.26 -5.01 118.16 116.33 1bnf n LYS 39 Ca 0.00 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1bnf n LYS 39 Cb 0.17 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1bnf n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnf n GLY 40 N 1.39 -0.27 1.47 0.72 0.00 -0.94 -4.91 105.19 102.66 1bnf n GLY 40 Ca 0.03 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1bnf n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnf n ASN 41 N -2.96 4.58 -0.31 1.61 6.94 -1.25 -3.98 115.26 119.89 1bnf n ASN 41 Ca -0.25 -2.45 0.14 0.00 -0.02 0.00 0.00 54.58 52.00 1bnf n ASN 41 Cb 0.66 -0.55 0.32 0.00 -2.36 0.00 0.00 39.78 37.85 1bnf n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnf h LEU 42 N 3.80 0.41 -1.40 -4.53 5.85 -1.88 0.15 115.31 117.71 1bnf h LEU 42 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1bnf h LEU 42 Cb 1.40 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1bnf h LEU 42 CO 0.21 0.02 0.27 0.00 -0.34 0.00 0.00 178.44 178.60 1bnf h ALA 43 N 1.71 1.54 -0.14 1.25 0.00 -1.83 0.48 119.26 122.27 1bnf h ALA 43 Ca 0.58 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.23 1bnf h ALA 43 Cb 1.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bnf h ALA 43 CO -0.52 0.38 -0.66 -0.44 0.00 0.00 0.00 179.25 178.02 1bnf h ASP 44 N 0.69 0.62 0.89 0.00 3.32 -1.07 -2.76 116.42 118.11 1bnf h ASP 44 Ca 0.18 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1bnf h ASP 44 Cb 0.02 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1bnf h ASP 44 CO -0.03 1.11 -1.12 1.33 -1.72 0.00 0.00 179.24 178.81 1bnf n VAL 45 N -3.91 0.62 -2.97 -1.35 0.24 -1.04 -4.58 118.33 105.33 1bnf n VAL 45 Ca -0.04 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.34 61.54 1bnf n VAL 45 Cb 0.67 -0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 32.68 1bnf n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnf n ALA 46 N -2.20 0.50 -1.64 2.33 0.00 0.13 -4.95 120.51 114.68 1bnf n ALA 46 Ca -0.01 -2.38 -0.50 0.00 0.00 0.00 0.00 53.44 50.55 1bnf n ALA 46 Cb 0.58 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1bnf n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bnf n PRO 47 N 1.58 1.61 -0.98 0.00 -0.02 -1.04 -1.79 135.00 134.37 1bnf n PRO 47 Ca 0.15 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1bnf n PRO 47 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1bnf n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnf n GLY 48 N 3.13 0.60 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.31 1bnf n GLY 48 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1bnf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnf s LYS 49 N -0.21 3.32 0.08 1.61 -0.14 -0.74 -4.82 119.74 118.83 1bnf s LYS 49 Ca 0.00 -0.73 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1bnf s LYS 49 Cb 0.00 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1bnf s LYS 49 CO 0.00 0.48 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.84 1bnf s SER 50 N -3.51 1.39 0.04 2.83 0.01 0.03 -4.87 113.70 109.62 1bnf s SER 50 Ca 0.34 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1bnf s SER 50 Cb -0.10 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1bnf s SER 50 CO 0.28 -0.20 1.16 -0.63 0.41 0.00 0.00 173.24 174.25 1bnf s ILE 51 N -1.94 4.21 -0.13 1.44 -1.09 -1.26 -1.47 121.20 120.95 1bnf s ILE 51 Ca 0.01 1.58 -0.33 0.00 -2.23 0.00 0.00 60.65 59.68 1bnf s ILE 51 Cb -0.06 -4.01 0.13 0.00 -1.58 0.00 0.00 42.46 36.94 1bnf s ILE 51 CO 0.01 0.11 1.10 -0.83 -1.23 0.00 0.00 174.94 174.10 1bnf s GLY 52 N 1.10 -0.33 0.00 6.18 0.00 0.72 -0.51 107.32 114.48 1bnf s GLY 52 Ca 0.57 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1bnf s GLY 52 CO 0.28 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1bnf n GLY 53 N -0.05 0.23 3.84 0.20 0.00 0.55 -3.49 105.19 106.46 1bnf n GLY 53 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1bnf n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnf s ASP 54 N -2.37 6.84 0.23 1.61 1.01 -1.23 -4.81 116.67 117.96 1bnf s ASP 54 Ca 0.00 1.48 -0.30 0.00 0.71 0.00 0.00 52.55 54.44 1bnf s ASP 54 Cb 0.00 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 1bnf s ASP 54 CO 0.00 -0.30 1.48 -0.63 0.21 0.00 0.00 175.17 175.93 1bnf s ILE 55 N -2.11 2.61 -0.19 0.77 -1.09 -1.26 -1.22 121.20 118.70 1bnf s ILE 55 Ca 0.58 0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1bnf s ILE 55 Cb -0.10 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1bnf s ILE 55 CO 0.16 0.07 0.06 0.12 -1.23 0.00 0.00 174.94 174.12 1bnf s PHE 56 N 0.24 3.21 0.05 3.97 5.36 -0.33 -4.83 117.98 125.66 1bnf s PHE 56 Ca 0.62 -0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 56.39 1bnf s PHE 56 Cb -0.43 -2.11 -0.16 0.00 -0.34 0.00 0.00 43.02 39.99 1bnf s PHE 56 CO 0.41 0.05 1.27 0.77 -1.46 0.00 0.00 175.22 176.26 1bnf h SER 57 N 6.99 0.63 -1.82 6.13 0.02 -1.91 -3.41 113.55 120.18 1bnf h SER 57 Ca -0.36 -0.60 -0.20 0.00 -0.84 0.00 0.00 61.79 59.78 1bnf h SER 57 Cb 1.17 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.53 1bnf h SER 57 CO 0.67 1.13 -0.27 -3.20 -1.14 0.00 0.00 176.83 174.02 1bnf n ASN 58 N -4.25 -3.52 0.28 3.07 5.15 -1.26 -4.91 115.26 109.81 1bnf n ASN 58 Ca -0.07 -0.06 0.16 0.00 -0.60 0.00 0.00 54.58 54.00 1bnf n ASN 58 Cb 0.57 -2.64 0.83 0.00 -0.53 0.00 0.00 39.78 38.00 1bnf n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bnf h ARG 59 N -0.27 0.00 -0.02 1.20 -0.00 -1.99 -0.34 114.38 112.96 1bnf h ARG 59 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 1bnf h ARG 59 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 1bnf h ARG 59 CO 0.28 0.07 -0.00 0.39 0.00 0.00 0.00 179.97 180.71 1bnf n GLU 60 N -3.44 2.10 -3.91 0.04 4.71 -1.26 -4.96 120.64 113.92 1bnf n GLU 60 Ca -0.02 -1.61 -0.31 0.00 -0.01 0.00 0.00 57.16 55.22 1bnf n GLU 60 Cb 0.21 -1.47 0.02 0.00 -1.01 0.00 0.00 31.44 29.20 1bnf n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bnf n GLY 61 N 1.29 -0.50 0.07 0.62 0.00 -0.14 -4.83 105.19 101.72 1bnf n GLY 61 Ca 0.16 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.50 1bnf n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnf n LYS 62 N -4.63 0.48 -4.25 1.61 5.02 -1.26 -4.79 118.16 110.33 1bnf n LYS 62 Ca 0.05 -0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 55.97 1bnf n LYS 62 Cb 0.52 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 1bnf n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnf s LEU 63 N -2.62 2.28 0.12 -0.35 1.43 -1.26 -4.79 118.68 113.49 1bnf s LEU 63 Ca 0.25 -0.65 -0.35 0.00 -1.03 0.00 0.00 54.13 52.35 1bnf s LEU 63 Cb 0.20 -0.73 -0.17 0.00 0.03 0.00 0.00 46.19 45.51 1bnf s LEU 63 CO 0.51 0.01 1.10 -2.65 0.23 0.00 0.00 176.35 175.54 1bnf n PRO 64 N 1.21 0.73 -1.81 1.29 -0.02 -1.26 -4.80 135.00 130.34 1bnf n PRO 64 Ca -0.20 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 1bnf n PRO 64 Cb 0.54 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1bnf n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bnf s GLY 65 N -0.03 2.17 0.24 -1.23 0.00 -1.26 -5.01 107.32 102.19 1bnf s GLY 65 Ca 0.79 1.54 0.01 0.00 0.00 0.00 0.00 44.72 47.06 1bnf s GLY 65 CO 0.53 2.51 0.15 0.54 0.00 0.00 0.00 173.10 176.83 1bnf s LYS 66 N -0.53 1.35 0.59 2.90 -0.14 -1.26 -5.16 119.74 117.49 1bnf s LYS 66 Ca 0.62 -1.73 -0.17 0.00 -1.36 0.00 0.00 55.97 53.33 1bnf s LYS 66 Cb -0.47 0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 35.84 1bnf s LYS 66 CO 0.48 -0.43 1.11 -1.54 -0.76 0.00 0.00 175.35 174.20 1bnf s SER 67 N -3.23 5.52 0.00 2.83 1.04 -1.26 -4.88 113.70 113.72 1bnf s SER 67 Ca 0.39 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1bnf s SER 67 Cb 0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1bnf s SER 67 CO 0.15 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1bnf n GLY 68 N -0.30 0.00 2.25 7.32 0.00 -1.26 -0.16 105.19 113.05 1bnf n GLY 68 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1bnf n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnf n ARG 69 N -3.40 3.13 0.02 1.61 1.74 -1.26 -4.76 116.66 113.75 1bnf n ARG 69 Ca 0.00 -4.04 0.11 0.00 -0.77 0.00 0.00 57.85 53.15 1bnf n ARG 69 Cb 0.00 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 1bnf n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bnf s TRP 71 N -3.30 3.26 0.12 0.00 0.52 -1.26 -0.78 118.94 117.51 1bnf s TRP 71 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.31 1bnf s TRP 71 Cb 0.14 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1bnf s TRP 71 CO 0.84 0.34 -0.07 1.03 0.02 0.00 0.00 176.95 179.11 1bnf s ARG 72 N -0.28 0.93 0.18 4.98 0.52 0.00 -1.18 118.95 124.11 1bnf s ARG 72 Ca 0.08 -1.39 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1bnf s ARG 72 Cb -0.12 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 1bnf s ARG 72 CO 0.02 0.00 -0.08 -1.83 0.02 0.00 0.00 175.30 173.43 1bnf s GLU 73 N -3.81 1.20 -0.08 3.54 -1.05 -0.36 -1.55 118.70 116.59 1bnf s GLU 73 Ca 0.14 -1.55 -0.15 0.00 -0.15 0.00 0.00 54.97 53.27 1bnf s GLU 73 Cb 0.04 -0.74 0.03 0.00 -0.44 0.00 0.00 34.13 33.02 1bnf s GLU 73 CO -0.02 0.05 0.37 0.00 0.95 0.00 0.00 175.26 176.61 1bnf s ALA 74 N -3.26 -0.93 0.28 -0.84 0.00 -0.73 -0.33 121.76 115.94 1bnf s ALA 74 Ca 0.21 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 1bnf s ALA 74 Cb 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1bnf s ALA 74 CO 0.04 -0.23 1.08 -0.51 0.00 0.00 0.00 175.76 176.15 1bnf s ASP 75 N -0.52 7.28 0.06 0.00 1.11 0.33 -0.64 116.67 124.29 1bnf s ASP 75 Ca -0.06 2.24 0.08 0.00 0.18 0.00 0.00 52.55 54.98 1bnf s ASP 75 Cb -0.04 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1bnf s ASP 75 CO 0.03 -0.13 -0.21 -0.63 1.18 0.00 0.00 175.17 175.41 1bnf s ILE 76 N -1.18 2.58 -1.76 0.77 -1.09 -0.87 -4.75 121.20 114.90 1bnf s ILE 76 Ca 0.45 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1bnf s ILE 76 Cb -0.31 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 1bnf s ILE 76 CO 0.40 0.28 0.00 0.59 -1.23 0.00 0.00 174.94 174.98 1bnf n ASN 77 N 1.41 -5.24 -4.80 3.58 3.02 0.17 -4.65 115.26 108.74 1bnf n ASN 77 Ca -0.16 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1bnf n ASN 77 Cb 0.52 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 1bnf n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bnf s TYR 78 N -2.78 3.74 0.06 3.10 5.04 -1.26 -4.95 117.35 120.30 1bnf s TYR 78 Ca 0.00 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1bnf s TYR 78 Cb 0.00 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1bnf s TYR 78 CO 0.00 0.53 0.00 0.25 -1.34 0.00 0.00 175.55 174.99 1bnf n THR 79 N 2.07 0.12 -3.76 4.34 -2.24 -1.26 -4.95 114.28 108.59 1bnf n THR 79 Ca -0.10 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1bnf n THR 79 Cb 0.51 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1bnf n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bnf s SER 80 N -5.10 -0.32 0.00 3.42 1.04 -1.26 -4.80 113.70 106.68 1bnf s SER 80 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1bnf s SER 80 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1bnf s SER 80 CO 0.00 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1bnf n GLY 81 N -0.44 -1.58 3.73 7.32 0.00 -1.26 -4.90 105.19 108.07 1bnf n GLY 81 Ca -0.07 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1bnf n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnf s PHE 82 N 0.00 2.15 0.73 1.61 0.08 -1.26 -4.55 117.98 116.74 1bnf s PHE 82 Ca 0.00 1.61 -0.14 0.00 0.12 0.00 0.00 56.93 58.52 1bnf s PHE 82 Cb 0.00 -3.37 0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1bnf s PHE 82 CO 0.00 -2.39 1.14 1.03 -0.10 0.00 0.00 175.22 174.89 1bnf s ARG 83 N -4.07 2.32 0.00 0.44 0.52 -1.26 -5.00 118.95 111.90 1bnf s ARG 83 Ca 0.71 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 1bnf s ARG 83 Cb -0.26 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1bnf s ARG 83 CO 0.46 -1.64 0.00 0.27 0.02 0.00 0.00 175.30 174.41 1bnf n ASN 84 N -2.88 0.04 -1.01 0.23 0.23 -1.26 -5.06 115.26 105.55 1bnf n ASN 84 Ca 0.11 -0.54 0.11 0.00 -0.53 0.00 0.00 54.58 53.72 1bnf n ASN 84 Cb 0.52 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.40 1bnf n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bnf n SER 85 N -1.61 3.22 -4.66 0.53 3.41 -1.26 -4.97 113.62 108.29 1bnf n SER 85 Ca 0.00 -1.93 -0.40 0.00 -0.26 0.00 0.00 58.87 56.28 1bnf n SER 85 Cb 0.00 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1bnf n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnf s ASP 86 N -1.41 6.60 0.02 4.04 1.01 -1.26 -1.69 116.67 123.99 1bnf s ASP 86 Ca 0.33 0.73 -0.04 0.00 0.71 0.00 0.00 52.55 54.28 1bnf s ASP 86 Cb 0.20 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1bnf s ASP 86 CO 0.28 -0.22 0.06 -0.13 0.21 0.00 0.00 175.17 175.37 1bnf s ARG 87 N 1.78 0.47 -0.07 8.23 1.81 0.13 -2.05 118.95 129.25 1bnf s ARG 87 Ca 0.26 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.64 1bnf s ARG 87 Cb -0.16 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1bnf s ARG 87 CO 0.10 -0.10 -0.10 -1.50 -0.68 0.00 0.00 175.30 173.01 1bnf s ILE 88 N -1.98 3.39 -0.16 1.52 2.07 0.18 -1.21 121.20 125.01 1bnf s ILE 88 Ca -0.11 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1bnf s ILE 88 Cb -0.05 -2.37 0.01 0.00 0.13 0.00 0.00 42.46 40.18 1bnf s ILE 88 CO -0.02 0.59 -0.18 -0.76 -1.91 0.00 0.00 174.94 172.65 1bnf s LEU 89 N -0.68 2.27 -0.04 8.50 1.02 0.23 -1.78 118.68 128.20 1bnf s LEU 89 Ca 0.10 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.71 1bnf s LEU 89 Cb -0.11 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1bnf s LEU 89 CO 0.01 0.05 -0.12 -0.72 0.02 0.00 0.00 176.35 175.60 1bnf s TYR 90 N 1.00 1.27 0.59 0.29 1.13 -0.59 -0.15 117.35 120.90 1bnf s TYR 90 Ca -0.02 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1bnf s TYR 90 Cb -0.15 -0.91 0.05 0.00 -1.10 0.00 0.00 41.96 39.86 1bnf s TYR 90 CO -0.05 -0.17 0.83 -1.54 -2.51 0.00 0.00 175.55 172.12 1bnf s SER 91 N 0.30 5.11 0.00 -0.18 1.04 -0.88 -0.82 113.70 118.27 1bnf s SER 91 Ca -0.07 -0.01 0.31 0.00 0.48 0.00 0.00 55.95 56.66 1bnf s SER 91 Cb -0.11 -0.78 1.61 0.00 0.10 0.00 0.00 66.02 66.84 1bnf s SER 91 CO 0.02 -1.29 2.07 0.00 0.98 0.00 0.00 173.24 175.02 1bnf n ASP 93 N -0.72 2.87 -2.49 0.00 5.75 -1.26 -4.99 116.55 115.72 1bnf n ASP 93 Ca 0.21 -1.98 -0.17 0.00 -0.01 0.00 0.00 54.79 52.84 1bnf n ASP 93 Cb 0.19 -0.22 0.04 0.00 -1.03 0.00 0.00 41.12 40.11 1bnf n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnf n TRP 94 N 0.49 -1.77 -2.79 2.11 7.02 -0.80 -5.02 117.44 116.67 1bnf n TRP 94 Ca 0.11 0.57 -0.41 0.00 -1.02 0.00 0.00 57.50 56.75 1bnf n TRP 94 Cb 0.42 -3.72 -0.04 0.00 -2.42 0.00 0.00 31.31 25.54 1bnf n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bnf s LEU 95 N -5.24 4.45 -0.13 -0.99 1.43 -1.26 -4.86 118.68 112.08 1bnf s LEU 95 Ca 0.33 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1bnf s LEU 95 Cb -0.14 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1bnf s LEU 95 CO 0.41 -0.10 -0.21 -0.63 0.23 0.00 0.00 176.35 176.05 1bnf s ILE 96 N 0.26 2.23 0.18 -0.59 1.01 -0.87 -2.06 121.20 121.35 1bnf s ILE 96 Ca 0.46 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 60.26 1bnf s ILE 96 Cb -0.22 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1bnf s ILE 96 CO 0.27 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 175.26 1bnf s TYR 97 N 0.64 1.90 0.11 3.97 1.51 0.79 -0.04 117.35 126.23 1bnf s TYR 97 Ca -0.11 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1bnf s TYR 97 Cb -0.16 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1bnf s TYR 97 CO 0.02 0.39 -0.15 -1.59 -1.11 0.00 0.00 175.55 173.11 1bnf s LYS 98 N -2.96 0.97 -0.01 -0.62 -2.85 -0.60 0.75 119.74 114.42 1bnf s LYS 98 Ca 0.18 -1.16 -0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1bnf s LYS 98 Cb -0.05 -0.91 0.01 0.00 -2.06 0.00 0.00 37.83 34.81 1bnf s LYS 98 CO 0.08 0.19 0.01 -0.08 0.10 0.00 0.00 175.35 175.65 1bnf s THR 99 N -1.84 -0.01 -0.07 3.79 -1.32 -0.35 -2.19 115.64 113.66 1bnf s THR 99 Ca 0.06 0.04 0.10 0.00 -1.21 0.00 0.00 61.69 60.67 1bnf s THR 99 Cb -0.07 -0.03 0.15 0.00 -1.51 0.00 0.00 72.50 71.04 1bnf s THR 99 CO 0.03 0.02 1.04 0.35 -2.21 0.00 0.00 174.62 173.85 1bnf n THR 100 N 3.28 1.27 -2.48 5.08 -2.24 -1.26 -0.70 114.28 117.25 1bnf n THR 100 Ca -0.15 -1.47 0.01 0.00 -2.27 0.00 0.00 64.05 60.17 1bnf n THR 100 Cb 0.58 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1bnf n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnf n ASP 101 N -0.89 1.59 -3.10 3.42 5.68 -1.18 -4.67 116.55 117.40 1bnf n ASP 101 Ca 0.08 -2.36 -0.14 0.00 -0.50 0.00 0.00 54.79 51.87 1bnf n ASP 101 Cb 0.51 -0.39 0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1bnf n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bnf n HIS 102 N -0.15 -2.06 -1.48 2.11 8.25 -0.68 -3.40 115.22 117.81 1bnf n HIS 102 Ca 0.11 0.80 -0.17 0.00 -0.26 0.00 0.00 57.72 58.20 1bnf n HIS 102 Cb 0.97 -4.36 -0.07 0.00 1.12 0.00 0.00 29.99 27.65 1bnf n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bnf n TYR 103 N -3.42 -0.04 -0.04 4.41 4.01 -1.26 -4.84 117.16 115.99 1bnf n TYR 103 Ca -0.16 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.44 1bnf n TYR 103 Cb 0.63 -3.15 -0.12 0.00 -0.31 0.00 0.00 39.34 36.40 1bnf n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bnf h GLN 104 N 0.00 0.04 -4.89 -0.72 4.20 -1.97 -3.47 115.11 108.31 1bnf h GLN 104 Ca -0.34 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 57.99 1bnf h GLN 104 Cb 1.25 0.01 -0.22 0.00 0.30 0.00 0.00 27.48 28.83 1bnf h GLN 104 CO 0.50 0.82 -0.75 0.95 -0.67 0.00 0.00 178.83 179.67 1bnf s THR 105 N -3.10 0.78 0.03 -0.54 -4.23 -1.26 -5.07 115.64 102.25 1bnf s THR 105 Ca -0.17 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1bnf s THR 105 Cb -0.01 -0.80 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 1bnf s THR 105 CO 0.70 -0.30 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.97 1bnf s PHE 106 N -1.29 1.37 0.01 3.99 0.08 -1.26 -4.43 117.98 116.45 1bnf s PHE 106 Ca -0.06 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1bnf s PHE 106 Cb -0.10 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1bnf s PHE 106 CO 0.01 0.03 -0.04 0.95 -0.10 0.00 0.00 175.22 176.08 1bnf s THR 107 N -0.70 0.24 0.28 0.64 -4.23 -0.93 -4.97 115.64 105.97 1bnf s THR 107 Ca 0.04 -0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1bnf s THR 107 Cb -0.07 -0.26 -0.10 0.00 1.34 0.00 0.00 72.50 73.40 1bnf s THR 107 CO 0.01 -0.11 1.35 -0.75 -0.54 0.00 0.00 174.62 174.58 1bnf s LYS 108 N -0.56 4.33 0.00 3.99 2.20 -1.26 -1.56 119.74 126.88 1bnf s LYS 108 Ca -0.04 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1bnf s LYS 108 Cb -0.04 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1bnf s LYS 108 CO -0.00 -0.28 0.00 0.44 -0.36 0.00 0.00 175.35 175.15 1bnf n ILE 109 N 1.63 0.00 -1.40 5.43 -5.35 0.95 -4.91 119.36 115.71 1bnf n ILE 109 Ca 0.03 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1bnf n ILE 109 Cb 0.41 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1bnf n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33