#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brj s ILE 4 N 0.00 5.02 0.00 0.00 1.01 -1.26 -4.90 121.20 121.07 1brj s ILE 4 Ca 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1brj s ILE 4 Cb 0.00 -4.11 0.19 0.00 0.01 0.00 0.00 42.46 38.55 1brj s ILE 4 CO 0.00 -0.52 1.02 -0.46 0.00 0.00 0.00 174.94 174.98 1brj n ASN 5 N 5.78 0.22 -4.92 3.58 6.94 -1.26 -4.79 115.26 120.81 1brj n ASN 5 Ca -0.06 -1.88 -0.21 0.00 -0.02 0.00 0.00 54.58 52.40 1brj n ASN 5 Cb 0.47 -0.11 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1brj n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brj s THR 6 N 0.00 4.86 0.14 5.53 -4.23 -1.26 -0.13 115.64 120.54 1brj s THR 6 Ca 0.15 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1brj s THR 6 Cb 0.17 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1brj s THR 6 CO -0.07 -0.32 1.70 -0.26 -0.54 0.00 0.00 174.62 175.12 1brj h PHE 7 N 1.27 -0.10 -0.25 3.99 0.04 -1.99 0.88 116.94 120.80 1brj h PHE 7 Ca -0.50 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.22 1brj h PHE 7 Cb 1.24 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 1brj h PHE 7 CO 0.49 -0.09 -0.10 -0.44 -0.60 0.00 0.00 178.31 177.57 1brj h ASP 8 N 0.02 0.51 -0.58 2.17 3.32 -1.98 0.01 116.42 119.89 1brj h ASP 8 Ca 0.11 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1brj h ASP 8 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1brj h ASP 8 CO -0.23 0.79 0.12 1.23 -1.72 0.00 0.00 179.24 179.43 1brj h GLY 9 N 0.23 1.03 1.57 2.75 0.00 -1.95 -0.56 103.07 106.13 1brj h GLY 9 Ca 0.06 -0.66 -0.23 0.00 0.00 0.00 0.00 47.33 46.50 1brj h GLY 9 CO 0.03 0.62 -0.95 -2.08 0.00 0.00 0.00 176.54 174.16 1brj h VAL 10 N 0.86 1.41 -0.02 4.60 2.07 -0.83 -1.55 116.25 122.78 1brj h VAL 10 Ca 0.18 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 65.24 1brj h VAL 10 Cb 0.39 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 1brj h VAL 10 CO 0.01 0.74 -0.37 0.00 0.02 0.00 0.00 177.57 177.97 1brj h ALA 11 N 0.75 -0.54 -0.46 1.67 0.00 -0.80 -1.25 119.26 118.63 1brj h ALA 11 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1brj h ALA 11 Cb 1.59 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 1brj h ALA 11 CO 0.16 -0.88 0.22 -0.44 0.00 0.00 0.00 179.25 178.31 1brj h ASP 12 N -0.51 0.59 -0.71 0.00 3.32 -1.16 -2.89 116.42 115.06 1brj h ASP 12 Ca 0.06 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1brj h ASP 12 Cb 0.60 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1brj h ASP 12 CO -0.31 0.55 0.46 0.22 -1.72 0.00 0.00 179.24 178.45 1brj h TYR 13 N 0.59 0.87 -0.08 4.55 5.03 -0.90 -3.04 116.97 123.99 1brj h TYR 13 Ca 0.16 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 1brj h TYR 13 Cb 0.11 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.10 1brj h TYR 13 CO -0.01 0.52 0.04 -0.07 -1.32 0.00 0.00 178.16 177.33 1brj h LEU 14 N 0.92 0.10 -2.08 2.82 3.38 -1.11 0.68 115.31 120.03 1brj h LEU 14 Ca 0.27 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1brj h LEU 14 Cb -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1brj h LEU 14 CO -0.08 0.17 0.24 1.56 0.09 0.00 0.00 178.44 180.41 1brj h GLN 15 N 0.03 0.00 0.00 1.13 4.20 -1.47 0.79 115.11 119.78 1brj h GLN 15 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1brj h GLN 15 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1brj h GLN 15 CO -0.00 0.00 -0.28 2.41 -0.67 0.00 0.00 178.83 180.29 1brj n THR 16 N -4.21 0.63 1.30 -0.54 -1.04 -1.15 -4.65 114.28 104.62 1brj n THR 16 Ca 0.04 0.37 0.14 0.00 -2.04 0.00 0.00 64.05 62.56 1brj n THR 16 Cb 0.39 -1.89 0.54 0.00 -1.82 0.00 0.00 70.33 67.56 1brj n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1brj n TYR 17 N -3.31 0.00 -3.17 -1.42 4.01 0.22 -4.95 117.16 108.54 1brj n TYR 17 Ca -0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.48 1brj n TYR 17 Cb 0.14 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 1brj n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brj n HIS 18 N -1.03 -1.84 -3.52 -0.72 8.25 0.27 -4.94 115.22 111.68 1brj n HIS 18 Ca 0.12 0.47 -0.10 0.00 -0.26 0.00 0.00 57.72 57.95 1brj n HIS 18 Cb 0.30 -3.59 -0.02 0.00 1.12 0.00 0.00 29.99 27.80 1brj n HIS 18 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1brj s LYS 19 N -5.83 1.23 0.49 -0.41 3.01 -1.26 -5.06 119.74 111.92 1brj s LYS 19 Ca 0.34 -0.51 -0.12 0.00 -1.01 0.00 0.00 55.97 54.66 1brj s LYS 19 Cb -0.17 0.53 -0.06 0.00 -1.01 0.00 0.00 37.83 37.12 1brj s LYS 19 CO 0.42 -0.55 0.90 -0.51 0.51 0.00 0.00 175.35 176.12 1brj s LEU 20 N -2.72 3.62 1.05 3.17 1.43 -1.26 -4.07 118.68 119.89 1brj s LEU 20 Ca 0.04 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1brj s LEU 20 Cb -0.02 -4.27 0.22 0.00 0.03 0.00 0.00 46.19 42.14 1brj s LEU 20 CO -0.08 -0.58 1.07 -2.16 0.23 0.00 0.00 176.35 174.83 1brj s PRO 21 N -4.27 0.03 0.62 1.29 0.05 -1.26 -4.92 135.00 126.55 1brj s PRO 21 Ca 0.54 0.83 0.33 0.00 0.05 0.00 0.00 61.00 62.75 1brj s PRO 21 Cb -0.10 -1.67 1.85 0.00 0.05 0.00 0.00 34.50 34.63 1brj s PRO 21 CO 0.37 -3.08 2.14 0.38 0.05 0.00 0.00 177.00 176.86 1brj h ASP 22 N -2.16 0.00 -0.07 6.66 3.04 -1.96 -2.96 116.42 118.97 1brj h ASP 22 Ca -0.56 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 1brj h ASP 22 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 1brj h ASP 22 CO 0.52 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.26 1brj n ASN 23 N -3.47 0.72 -4.64 4.15 6.94 -1.26 -4.87 115.26 112.83 1brj n ASN 23 Ca -0.00 -2.03 -0.33 0.00 -0.02 0.00 0.00 54.58 52.19 1brj n ASN 23 Cb 0.26 -0.18 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 1brj n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brj s TYR 24 N -1.70 3.01 0.04 -2.53 2.02 -1.12 -1.16 117.35 115.91 1brj s TYR 24 Ca 0.05 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1brj s TYR 24 Cb 0.03 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1brj s TYR 24 CO 0.03 0.41 -0.06 0.96 -1.57 0.00 0.00 175.55 175.32 1brj s ILE 25 N -0.95 0.39 0.80 2.71 -0.00 -0.29 -4.90 121.20 118.96 1brj s ILE 25 Ca 0.16 -1.10 -0.12 0.00 -0.00 0.00 0.00 60.65 59.59 1brj s ILE 25 Cb -0.11 -0.58 0.07 0.00 -0.00 0.00 0.00 42.46 41.83 1brj s ILE 25 CO 0.06 -0.47 1.11 0.42 -0.00 0.00 0.00 174.94 176.05 1brj s THR 26 N -1.63 2.95 0.31 8.37 -4.23 -1.20 -0.76 115.64 119.45 1brj s THR 26 Ca -0.10 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1brj s THR 26 Cb -0.08 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.82 1brj s THR 26 CO -0.01 -0.40 1.88 0.11 -0.54 0.00 0.00 174.62 175.66 1brj h LYS 27 N -1.06 0.74 -0.00 3.99 1.57 -1.97 -2.03 116.57 117.80 1brj h LYS 27 Ca -0.47 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.04 1brj h LYS 27 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1brj h LYS 27 CO 0.61 0.65 -0.69 0.66 -0.57 0.00 0.00 179.45 180.11 1brj h SER 28 N 0.72 0.03 0.03 0.86 4.64 -1.99 -2.42 113.55 115.42 1brj h SER 28 Ca 0.17 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1brj h SER 28 Cb 0.22 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1brj h SER 28 CO -0.01 0.71 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.96 1brj h GLU 29 N 0.02 0.46 -0.52 4.77 5.08 -1.75 -2.89 114.58 119.73 1brj h GLU 29 Ca -0.01 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1brj h GLU 29 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1brj h GLU 29 CO 0.09 0.76 0.16 0.00 -1.00 0.00 0.00 179.01 179.02 1brj h ALA 30 N 1.22 0.69 -0.90 3.43 0.00 -1.26 -2.99 119.26 119.45 1brj h ALA 30 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1brj h ALA 30 Cb 0.82 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1brj h ALA 30 CO 0.07 0.35 0.57 1.96 0.00 0.00 0.00 179.25 182.20 1brj h GLN 31 N 0.72 1.05 -0.50 0.00 4.20 -1.27 -1.30 115.11 118.01 1brj h GLN 31 Ca 0.17 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1brj h GLN 31 Cb 0.29 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1brj h GLN 31 CO -0.00 0.70 0.02 0.00 -0.67 0.00 0.00 178.83 178.87 1brj h ALA 32 N 1.39 1.08 0.00 3.87 0.00 -1.45 -2.35 119.26 121.81 1brj h ALA 32 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1brj h ALA 32 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1brj h ALA 32 CO -0.14 0.58 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1brj n LEU 33 N -4.22 0.00 0.00 0.00 4.77 -1.01 -4.90 117.00 111.64 1brj n LEU 33 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1brj n LEU 33 Cb 0.30 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1brj n LEU 33 CO 0.42 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1brj n GLY 34 N 0.81 1.24 3.69 -0.72 0.00 -0.88 -4.88 105.19 104.44 1brj n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1brj n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brj s TRP 35 N -2.00 2.87 -0.24 1.61 -0.00 -0.52 -4.95 118.94 115.72 1brj s TRP 35 Ca 0.00 0.85 0.02 0.00 -0.00 0.00 0.00 56.10 56.97 1brj s TRP 35 Cb 0.00 -3.64 0.05 0.00 -0.00 0.00 0.00 33.47 29.88 1brj s TRP 35 CO 0.00 -2.36 -0.12 0.54 -0.00 0.00 0.00 176.95 175.01 1brj s VAL 36 N 2.40 2.04 0.30 5.86 0.11 -1.26 -4.42 120.40 125.42 1brj s VAL 36 Ca 0.63 -1.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1brj s VAL 36 Cb -0.31 -2.10 0.29 0.00 -1.53 0.00 0.00 36.38 32.73 1brj s VAL 36 CO 0.26 0.09 1.71 0.00 -3.33 0.00 0.00 175.10 173.83 1brj h ALA 37 N 7.84 1.56 0.00 1.54 0.00 -1.99 -2.48 119.26 125.73 1brj h ALA 37 Ca -0.25 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1brj h ALA 37 Cb 1.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1brj h ALA 37 CO 0.49 -0.31 -0.06 0.77 0.00 0.00 0.00 179.25 180.15 1brj h SER 38 N 0.48 0.00 0.00 0.00 0.02 -2.03 -2.64 113.55 109.37 1brj h SER 38 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1brj h SER 38 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1brj h SER 38 CO -0.50 0.06 -0.45 0.29 -1.14 0.00 0.00 176.83 175.08 1brj n LYS 39 N -4.02 1.22 -4.16 3.45 5.02 -0.94 -5.01 118.16 113.71 1brj n LYS 39 Ca -0.03 -0.99 -0.34 0.00 -2.02 0.00 0.00 58.31 54.93 1brj n LYS 39 Cb 0.14 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1brj n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brj n GLY 40 N 1.41 -0.39 1.77 0.72 0.00 -1.00 -4.88 105.19 102.82 1brj n GLY 40 Ca 0.10 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1brj n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brj n ASN 41 N -2.74 5.32 -0.24 1.61 6.94 -1.26 -3.90 115.26 120.99 1brj n ASN 41 Ca -0.02 -2.74 0.05 0.00 -0.02 0.00 0.00 54.58 51.85 1brj n ASN 41 Cb 0.54 -0.65 0.17 0.00 -2.36 0.00 0.00 39.78 37.49 1brj n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brj h LEU 42 N 3.98 0.14 -1.75 -4.53 5.85 -1.88 -0.11 115.31 117.02 1brj h LEU 42 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1brj h LEU 42 Cb 1.77 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1brj h LEU 42 CO 0.39 0.04 -0.17 0.00 -0.34 0.00 0.00 178.44 178.36 1brj h ALA 43 N 1.56 1.45 0.20 1.25 0.00 -1.84 -0.04 119.26 121.83 1brj h ALA 43 Ca 0.40 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 1brj h ALA 43 Cb 0.63 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.43 1brj h ALA 43 CO -0.44 0.21 -1.39 -0.44 0.00 0.00 0.00 179.25 177.19 1brj h ASP 44 N 0.00 0.80 0.68 0.00 3.32 -1.38 -3.23 116.42 116.61 1brj h ASP 44 Ca -0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.22 1brj h ASP 44 Cb 0.36 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1brj h ASP 44 CO 0.02 1.64 -0.91 1.33 -1.72 0.00 0.00 179.24 179.60 1brj n VAL 45 N -3.71 0.31 -3.04 -1.35 0.24 -0.95 -4.59 118.33 105.25 1brj n VAL 45 Ca -0.15 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 61.65 1brj n VAL 45 Cb 1.06 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1brj n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brj n ALA 46 N -1.91 1.08 -1.62 2.33 0.00 -0.05 -4.89 120.51 115.44 1brj n ALA 46 Ca 0.02 -2.69 -0.51 0.00 0.00 0.00 0.00 53.44 50.25 1brj n ALA 46 Cb 0.46 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1brj n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brj n PRO 47 N 1.51 1.37 -1.02 0.00 -0.02 -1.22 -1.98 135.00 133.64 1brj n PRO 47 Ca 0.17 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1brj n PRO 47 Cb 0.56 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1brj n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brj n GLY 48 N 2.97 0.32 3.85 -1.23 0.00 -1.26 -5.01 105.19 104.84 1brj n GLY 48 Ca 0.19 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1brj n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brj s LYS 49 N -1.13 3.05 0.07 1.61 -0.14 -0.84 -4.81 119.74 117.55 1brj s LYS 49 Ca 0.00 -0.93 0.03 0.00 -1.36 0.00 0.00 55.97 53.71 1brj s LYS 49 Cb 0.00 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1brj s LYS 49 CO 0.00 0.43 -0.09 -1.12 -0.76 0.00 0.00 175.35 173.81 1brj s SER 50 N -3.67 1.16 -0.02 2.83 0.01 -0.31 -4.84 113.70 108.87 1brj s SER 50 Ca 0.33 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1brj s SER 50 Cb -0.09 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1brj s SER 50 CO 0.26 -0.25 1.06 -0.63 0.41 0.00 0.00 173.24 174.09 1brj s ILE 51 N -2.01 4.59 -0.22 1.44 -1.09 -1.26 -1.13 121.20 121.51 1brj s ILE 51 Ca -0.01 1.86 -0.32 0.00 -2.23 0.00 0.00 60.65 59.95 1brj s ILE 51 Cb -0.06 -4.19 0.16 0.00 -1.58 0.00 0.00 42.46 36.79 1brj s ILE 51 CO -0.00 0.10 1.23 -0.83 -1.23 0.00 0.00 174.94 174.20 1brj s GLY 52 N 1.10 -0.15 0.00 6.18 0.00 0.06 -0.27 107.32 114.24 1brj s GLY 52 Ca 0.53 2.12 0.00 0.00 0.00 0.00 0.00 44.72 47.37 1brj s GLY 52 CO 0.25 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.79 1brj n GLY 53 N 0.27 0.47 3.82 0.20 0.00 -0.38 -3.28 105.19 106.29 1brj n GLY 53 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1brj n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brj s ASP 54 N -2.78 6.73 0.31 1.61 1.01 -1.25 -4.81 116.67 117.49 1brj s ASP 54 Ca 0.00 1.70 -0.29 0.00 0.71 0.00 0.00 52.55 54.67 1brj s ASP 54 Cb 0.00 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 1brj s ASP 54 CO 0.00 -0.51 1.18 -0.63 0.21 0.00 0.00 175.17 175.43 1brj s ILE 55 N -2.27 3.17 -0.22 0.77 1.09 -1.26 -1.71 121.20 120.77 1brj s ILE 55 Ca 0.62 1.17 -0.04 0.00 -1.10 0.00 0.00 60.65 61.30 1brj s ILE 55 Cb -0.11 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1brj s ILE 55 CO 0.19 0.27 -0.04 0.12 -0.10 0.00 0.00 174.94 175.38 1brj s PHE 56 N -1.17 2.96 0.25 3.97 5.36 -0.21 -4.83 117.98 124.30 1brj s PHE 56 Ca 0.47 -0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 55.51 1brj s PHE 56 Cb -0.35 -2.10 0.44 0.00 -0.34 0.00 0.00 43.02 40.67 1brj s PHE 56 CO 0.45 -0.52 1.77 0.77 -1.46 0.00 0.00 175.22 176.23 1brj h SER 57 N 8.05 0.49 -3.06 6.13 0.02 -1.95 -3.40 113.55 119.83 1brj h SER 57 Ca -0.41 0.08 -0.35 0.00 -0.84 0.00 0.00 61.79 60.27 1brj h SER 57 Cb 1.16 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1brj h SER 57 CO 0.60 0.24 -0.48 -3.20 -1.14 0.00 0.00 176.83 172.86 1brj n ASN 58 N -4.87 -5.28 -0.14 3.07 5.15 -1.26 -4.89 115.26 107.04 1brj n ASN 58 Ca 0.14 -0.11 -0.10 0.00 -0.60 0.00 0.00 54.58 53.91 1brj n ASN 58 Cb 0.35 -4.26 -0.05 0.00 -0.53 0.00 0.00 39.78 35.29 1brj n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1brj h ARG 59 N -0.48 -0.30 0.00 1.20 9.65 -1.99 0.11 114.38 122.57 1brj h ARG 59 Ca -0.43 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1brj h ARG 59 Cb 1.31 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 1brj h ARG 59 CO 0.49 -0.20 0.00 -0.85 2.80 0.00 0.00 179.97 182.21 1brj n GLU 60 N -5.41 0.49 -1.74 0.20 0.28 -1.26 -4.89 120.64 108.31 1brj n GLU 60 Ca -0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1brj n GLU 60 Cb 0.35 -1.21 -0.04 0.00 1.43 0.00 0.00 31.44 31.97 1brj n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1brj n GLY 61 N -0.01 0.60 0.21 -1.84 0.00 0.39 -4.85 105.19 99.69 1brj n GLY 61 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1brj n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brj h LYS 62 N 0.00 0.00 -5.93 1.61 1.57 -1.90 -3.43 116.57 108.48 1brj h LYS 62 Ca -0.27 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.86 1brj h LYS 62 Cb 0.96 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.19 1brj h LYS 62 CO 0.37 0.25 -0.54 -0.51 -0.57 0.00 0.00 179.45 178.45 1brj s LEU 63 N -8.46 4.10 0.11 2.94 1.43 -1.26 -4.99 118.68 112.54 1brj s LEU 63 Ca -0.03 0.22 -0.33 0.00 -1.03 0.00 0.00 54.13 52.96 1brj s LEU 63 Cb 0.15 -2.45 -0.12 0.00 0.03 0.00 0.00 46.19 43.81 1brj s LEU 63 CO 0.71 0.26 1.76 -0.81 0.23 0.00 0.00 176.35 178.50 1brj n PRO 64 N 1.01 2.50 -3.53 1.29 -0.04 -1.26 -5.00 135.00 129.97 1brj n PRO 64 Ca -0.12 0.91 -0.28 0.00 -0.04 0.00 0.00 63.50 63.98 1brj n PRO 64 Cb 0.52 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 1brj n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1brj s GLY 65 N 2.28 1.78 -0.25 0.55 0.00 -1.26 -5.05 107.32 105.37 1brj s GLY 65 Ca 0.82 -0.73 -0.27 0.00 0.00 0.00 0.00 44.72 44.54 1brj s GLY 65 CO 0.39 -0.66 1.14 1.25 0.00 0.00 0.00 173.10 175.23 1brj s LYS 66 N -3.49 0.39 -0.24 2.90 2.20 -1.26 -5.05 119.74 115.18 1brj s LYS 66 Ca 0.41 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.99 1brj s LYS 66 Cb -0.11 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 1brj s LYS 66 CO 0.30 -0.08 2.16 0.45 -0.36 0.00 0.00 175.35 177.82 1brj n SER 67 N 1.44 2.94 0.00 1.43 2.88 -1.26 0.71 113.62 121.76 1brj n SER 67 Ca -0.10 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1brj n SER 67 Cb 0.57 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1brj n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1brj n GLY 68 N 5.83 0.84 3.73 0.46 0.00 -1.26 -5.03 105.19 109.76 1brj n GLY 68 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 1brj n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brj s ARG 69 N -0.47 4.44 0.03 1.61 3.52 0.22 -4.90 118.95 123.40 1brj s ARG 69 Ca 0.00 0.93 0.05 0.00 -0.13 0.00 0.00 55.73 56.58 1brj s ARG 69 Cb 0.00 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1brj s ARG 69 CO 0.00 0.19 -0.15 0.95 -0.81 0.00 0.00 175.30 175.48 1brj s THR 70 N 0.32 1.21 -0.05 4.11 -4.23 -1.26 -4.76 115.64 110.98 1brj s THR 70 Ca 0.37 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1brj s THR 70 Cb -0.19 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1brj s THR 70 CO 0.20 0.09 0.07 0.26 -0.54 0.00 0.00 174.62 174.69 1brj s TRP 71 N -0.76 3.30 0.16 3.99 0.52 -1.26 -1.20 118.94 123.69 1brj s TRP 71 Ca 0.03 0.25 0.07 0.00 0.02 0.00 0.00 56.10 56.47 1brj s TRP 71 Cb -0.08 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1brj s TRP 71 CO 0.01 0.56 -0.15 1.03 0.02 0.00 0.00 176.95 178.42 1brj s ARG 72 N -1.36 1.19 0.23 4.98 0.52 0.33 -1.04 118.95 123.80 1brj s ARG 72 Ca 0.19 -1.43 0.08 0.00 -0.52 0.00 0.00 55.73 54.05 1brj s ARG 72 Cb -0.12 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.26 1brj s ARG 72 CO 0.09 0.19 -0.14 -1.83 0.02 0.00 0.00 175.30 173.63 1brj s GLU 73 N -3.18 1.43 -0.11 3.54 -1.05 -0.69 -1.10 118.70 117.54 1brj s GLU 73 Ca 0.16 -1.66 -0.12 0.00 -0.15 0.00 0.00 54.97 53.20 1brj s GLU 73 Cb -0.03 -1.24 0.03 0.00 -0.44 0.00 0.00 34.13 32.46 1brj s GLU 73 CO 0.05 0.18 0.33 0.00 0.95 0.00 0.00 175.26 176.76 1brj s ALA 74 N -2.90 -0.81 0.08 -0.84 0.00 -0.34 -1.25 121.76 115.71 1brj s ALA 74 Ca 0.25 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1brj s ALA 74 Cb -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1brj s ALA 74 CO 0.09 -0.17 1.14 -0.51 0.00 0.00 0.00 175.76 176.31 1brj s ASP 75 N -0.06 7.17 0.04 0.00 1.11 0.63 -0.77 116.67 124.78 1brj s ASP 75 Ca -0.02 1.98 0.05 0.00 0.18 0.00 0.00 52.55 54.74 1brj s ASP 75 Cb -0.03 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1brj s ASP 75 CO 0.01 -0.37 -0.11 -0.63 1.18 0.00 0.00 175.17 175.24 1brj s ILE 76 N 0.73 3.30 -1.85 0.77 -1.09 -0.74 -4.66 121.20 117.66 1brj s ILE 76 Ca 0.55 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1brj s ILE 76 Cb -0.28 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1brj s ILE 76 CO 0.30 0.31 0.00 0.59 -1.23 0.00 0.00 174.94 174.92 1brj n ASN 77 N 1.36 -5.24 -4.77 3.58 3.02 0.81 -4.64 115.26 109.38 1brj n ASN 77 Ca -0.15 0.43 -0.39 0.00 -0.03 0.00 0.00 54.58 54.44 1brj n ASN 77 Cb 0.52 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.36 1brj n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brj s TYR 78 N -2.60 3.85 0.00 3.10 5.04 -1.26 -4.95 117.35 120.54 1brj s TYR 78 Ca 0.00 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1brj s TYR 78 Cb 0.00 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.56 1brj s TYR 78 CO 0.00 0.46 0.00 0.25 -1.34 0.00 0.00 175.55 174.92 1brj n THR 79 N 1.92 0.00 -3.73 4.34 -2.24 -1.26 -4.96 114.28 108.35 1brj n THR 79 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1brj n THR 79 Cb 0.49 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1brj n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brj s SER 80 N -4.47 -0.19 0.00 3.42 1.04 -1.26 -4.80 113.70 107.44 1brj s SER 80 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1brj s SER 80 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1brj s SER 80 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1brj n GLY 81 N -0.45 -1.69 3.75 7.32 0.00 -1.25 -4.91 105.19 107.96 1brj n GLY 81 Ca -0.06 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1brj n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brj s PHE 82 N 0.00 2.35 0.64 1.61 0.08 -1.26 -4.56 117.98 116.85 1brj s PHE 82 Ca 0.00 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.45 1brj s PHE 82 Cb 0.00 -3.33 -0.01 0.00 -0.57 0.00 0.00 43.02 39.12 1brj s PHE 82 CO 0.00 -2.12 1.19 1.03 -0.10 0.00 0.00 175.22 175.22 1brj s ARG 83 N -3.94 2.70 0.20 0.44 0.52 -1.26 -5.00 118.95 112.61 1brj s ARG 83 Ca 0.71 1.74 -0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1brj s ARG 83 Cb -0.25 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.36 1brj s ARG 83 CO 0.42 -1.40 0.28 0.27 0.02 0.00 0.00 175.30 174.89 1brj n ASN 84 N -2.05 0.36 -1.02 0.23 0.23 -1.26 -5.05 115.26 106.69 1brj n ASN 84 Ca 0.13 -1.31 0.08 0.00 -0.53 0.00 0.00 54.58 52.95 1brj n ASN 84 Cb 0.50 -0.18 0.26 0.00 -2.08 0.00 0.00 39.78 38.28 1brj n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brj n SER 85 N -2.98 3.95 -4.59 0.53 3.41 -1.26 -4.97 113.62 107.70 1brj n SER 85 Ca 0.05 -2.69 -0.37 0.00 -0.26 0.00 0.00 58.87 55.60 1brj n SER 85 Cb 0.16 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 1brj n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brj s ASP 86 N -1.47 5.85 0.04 4.04 1.01 -1.26 -2.07 116.67 122.80 1brj s ASP 86 Ca 0.40 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.70 1brj s ASP 86 Cb 0.29 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 1brj s ASP 86 CO 0.13 0.02 -0.10 -0.13 0.21 0.00 0.00 175.17 175.30 1brj s ARG 87 N 1.32 0.69 -0.21 8.23 1.81 0.73 -1.79 118.95 129.74 1brj s ARG 87 Ca 0.07 -0.68 -0.04 0.00 -1.72 0.00 0.00 55.73 53.35 1brj s ARG 87 Cb -0.15 -0.61 -0.02 0.00 -0.45 0.00 0.00 34.95 33.73 1brj s ARG 87 CO 0.06 0.14 -0.02 0.00 -0.68 0.00 0.00 175.30 174.81 1brj s ALA 88 N -0.96 2.94 -0.24 2.13 0.00 0.05 -2.03 121.76 123.66 1brj s ALA 88 Ca -0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1brj s ALA 88 Cb -0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1brj s ALA 88 CO 0.01 -0.23 0.07 -0.51 0.00 0.00 0.00 175.76 175.09 1brj s LEU 89 N 1.15 3.46 -0.00 0.00 2.01 0.05 -1.19 118.68 124.17 1brj s LEU 89 Ca 0.02 -0.18 0.05 0.00 0.01 0.00 0.00 54.13 54.03 1brj s LEU 89 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.12 1brj s LEU 89 CO 0.01 -0.01 -0.15 -0.72 1.01 0.00 0.00 176.35 176.48 1brj s TYR 90 N 1.47 1.36 0.44 0.29 1.13 -0.26 -0.97 117.35 120.81 1brj s TYR 90 Ca 0.06 -0.28 0.08 0.00 -1.41 0.00 0.00 57.07 55.52 1brj s TYR 90 Cb -0.15 -0.86 0.02 0.00 -1.10 0.00 0.00 41.96 39.87 1brj s TYR 90 CO 0.03 -0.01 0.59 -1.54 -2.51 0.00 0.00 175.55 172.12 1brj s SER 91 N -0.52 5.61 0.44 -0.18 1.04 -0.62 -0.51 113.70 118.95 1brj s SER 91 Ca 0.05 -0.44 0.29 0.00 0.48 0.00 0.00 55.95 56.34 1brj s SER 91 Cb -0.06 -0.60 1.13 0.00 0.10 0.00 0.00 66.02 66.59 1brj s SER 91 CO -0.00 -0.81 1.86 0.77 0.98 0.00 0.00 173.24 176.03 1brj h SER 92 N 0.59 0.00 -0.52 7.02 4.64 -1.50 -2.14 113.55 121.63 1brj h SER 92 Ca -0.39 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 1brj h SER 92 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1brj h SER 92 CO 0.45 0.00 0.07 -0.90 -0.87 0.00 0.00 176.83 175.58 1brj n ASP 93 N -2.80 4.80 -1.85 4.97 5.75 -1.26 -4.98 116.55 121.19 1brj n ASP 93 Ca 0.02 -3.09 -0.14 0.00 -0.01 0.00 0.00 54.79 51.56 1brj n ASP 93 Cb 0.31 -0.66 0.01 0.00 -1.03 0.00 0.00 41.12 39.75 1brj n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brj n TRP 94 N -0.02 -1.02 -2.90 2.11 7.02 -0.81 -5.04 117.44 116.79 1brj n TRP 94 Ca 0.30 0.20 -0.40 0.00 -1.02 0.00 0.00 57.50 56.59 1brj n TRP 94 Cb 1.16 -3.16 -0.06 0.00 -2.42 0.00 0.00 31.31 26.84 1brj n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brj s LEU 95 N -4.29 4.61 -0.12 -0.99 1.43 -1.26 -4.86 118.68 113.20 1brj s LEU 95 Ca 0.12 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1brj s LEU 95 Cb -0.05 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1brj s LEU 95 CO 0.14 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 176.13 1brj s ILE 96 N -1.17 1.54 0.14 -0.59 -1.09 -0.84 -1.59 121.20 117.61 1brj s ILE 96 Ca 0.38 -0.66 0.11 0.00 -2.23 0.00 0.00 60.65 58.25 1brj s ILE 96 Cb -0.24 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 1brj s ILE 96 CO 0.28 0.45 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.87 1brj s TYR 97 N 1.04 2.31 0.12 3.97 1.51 -0.14 -0.50 117.35 125.66 1brj s TYR 97 Ca -0.05 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.73 1brj s TYR 97 Cb -0.15 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1brj s TYR 97 CO -0.03 0.36 -0.23 -1.59 -1.11 0.00 0.00 175.55 172.95 1brj s LYS 98 N -2.15 1.26 -0.01 -0.62 -2.85 0.53 -0.77 119.74 115.13 1brj s LYS 98 Ca 0.15 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1brj s LYS 98 Cb -0.10 -1.61 0.01 0.00 -2.06 0.00 0.00 37.83 34.08 1brj s LYS 98 CO 0.07 0.37 0.00 -0.08 0.10 0.00 0.00 175.35 175.81 1brj s THR 99 N -1.20 0.06 0.00 3.79 -1.32 -0.86 -1.90 115.64 114.20 1brj s THR 99 Ca 0.11 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1brj s THR 99 Cb -0.10 -0.10 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 1brj s THR 99 CO 0.05 0.05 0.80 0.35 -2.21 0.00 0.00 174.62 173.66 1brj n THR 100 N 3.43 0.63 -2.47 5.08 -2.24 -1.25 -0.19 114.28 117.27 1brj n THR 100 Ca -0.17 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 1brj n THR 100 Cb 0.56 0.72 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 1brj n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brj n ASP 101 N -0.32 3.10 -3.53 3.42 5.68 -1.12 -4.57 116.55 119.21 1brj n ASP 101 Ca 0.00 -2.83 -0.19 0.00 -0.50 0.00 0.00 54.79 51.27 1brj n ASP 101 Cb 0.26 -0.42 0.06 0.00 -1.14 0.00 0.00 41.12 39.89 1brj n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1brj n HIS 102 N -0.63 -2.09 -1.84 2.11 8.25 -0.88 -2.90 115.22 117.23 1brj n HIS 102 Ca 0.24 0.88 -0.19 0.00 -0.26 0.00 0.00 57.72 58.38 1brj n HIS 102 Cb 0.87 -4.67 -0.06 0.00 1.12 0.00 0.00 29.99 27.26 1brj n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brj n TYR 103 N -4.11 -0.42 0.04 4.41 4.01 -1.26 -4.89 117.16 114.93 1brj n TYR 103 Ca -0.27 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.40 1brj n TYR 103 Cb 0.67 -3.41 -0.05 0.00 -0.31 0.00 0.00 39.34 36.23 1brj n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brj h GLN 104 N 0.00 -0.20 -6.07 -0.72 4.20 -1.94 -3.46 115.11 106.91 1brj h GLN 104 Ca -0.41 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.77 1brj h GLN 104 Cb 1.27 0.05 -0.19 0.00 0.30 0.00 0.00 27.48 28.91 1brj h GLN 104 CO 0.56 0.11 -0.80 0.95 -0.67 0.00 0.00 178.83 178.98 1brj s THR 105 N -2.71 1.85 0.04 -0.54 -4.23 -1.26 -5.10 115.64 103.70 1brj s THR 105 Ca -0.09 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1brj s THR 105 Cb -0.00 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 1brj s THR 105 CO 0.31 -0.23 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.62 1brj s PHE 106 N -1.79 1.52 -0.02 3.99 0.08 -1.26 -4.33 117.98 116.17 1brj s PHE 106 Ca 0.14 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1brj s PHE 106 Cb -0.07 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1brj s PHE 106 CO 0.06 0.07 0.01 0.99 -0.10 0.00 0.00 175.22 176.25 1brj s THR 107 N -0.84 0.08 0.26 0.64 2.01 -0.80 -4.98 115.64 112.01 1brj s THR 107 Ca 0.04 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1brj s THR 107 Cb -0.08 -0.16 -0.10 0.00 0.01 0.00 0.00 72.50 72.17 1brj s THR 107 CO 0.02 0.09 1.40 -0.75 -0.69 0.00 0.00 174.62 174.69 1brj s LYS 108 N 0.72 4.29 0.00 4.92 2.20 -1.26 -0.35 119.74 130.26 1brj s LYS 108 Ca -0.07 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 1brj s LYS 108 Cb -0.10 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1brj s LYS 108 CO -0.02 -0.36 0.00 0.44 -0.36 0.00 0.00 175.35 175.05 1brj n ILE 109 N 2.00 0.00 -1.13 5.43 -5.35 0.34 -4.88 119.36 115.78 1brj n ILE 109 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1brj n ILE 109 Cb 0.41 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 1brj n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33