#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 nan 3.10 0.00 0.00 1.09 -1.26 -4.95 121.20 nan 1brj s ILE 4 Ca nan -0.64 0.00 0.00 -1.10 0.00 0.00 60.65 nan 1brj s ILE 4 Cb nan -2.30 0.00 0.00 -1.06 0.00 0.00 42.46 nan 1brj s ILE 4 CO nan 0.52 0.85 -0.46 -0.10 0.00 0.00 174.94 nan 1brj n ASN 5 N 3.48 0.00 -4.98 3.58 6.94 -1.26 -4.78 115.26 118.24 1brj n ASN 5 Ca -0.18 -1.70 -0.20 0.00 -0.02 0.00 0.00 54.58 52.48 1brj n ASN 5 Cb 0.53 -0.14 -0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 4.18 0.15 5.53 -4.23 -1.26 -0.31 115.64 119.70 1brj s THR 6 Ca 0.00 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1brj s THR 6 Cb 0.00 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.40 1brj s THR 6 CO 0.00 -0.22 1.71 -0.26 -0.54 0.00 0.00 174.62 175.32 1brj h PHE 7 N 0.80 0.72 -0.17 3.99 0.04 -1.99 -1.79 116.94 118.55 1brj h PHE 7 Ca -0.46 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.18 1brj h PHE 7 Cb 1.25 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 1brj h PHE 7 CO 0.43 0.60 -0.18 -0.44 -0.60 0.00 0.00 178.31 178.12 1brj h ASP 8 N 0.64 0.45 -0.28 2.17 3.32 -1.98 -0.70 116.42 120.03 1brj h ASP 8 Ca 0.16 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.78 1brj h ASP 8 Cb 0.17 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1brj h ASP 8 CO -0.02 0.85 -0.04 1.23 -1.72 0.00 0.00 179.24 179.54 1brj h GLY 9 N 0.06 0.23 1.04 2.75 0.00 -1.97 0.45 103.07 105.63 1brj h GLY 9 Ca 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1brj h GLY 9 CO 0.04 -0.09 -0.61 -2.08 0.00 0.00 0.00 176.54 173.81 1brj h VAL 10 N 0.03 1.31 -0.45 4.60 2.07 -1.37 -2.39 116.25 120.06 1brj h VAL 10 Ca 0.14 -1.85 0.07 0.00 0.82 0.00 0.00 66.70 65.88 1brj h VAL 10 Cb 0.20 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1brj h VAL 10 CO -0.27 0.58 0.12 0.00 0.02 0.00 0.00 177.57 178.02 1brj h ALA 11 N 0.54 0.51 -0.13 1.67 0.00 -0.44 -2.26 119.26 119.15 1brj h ALA 11 Ca -0.03 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1brj h ALA 11 Cb 1.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1brj h ALA 11 CO 0.13 -0.28 -0.44 -0.44 0.00 0.00 0.00 179.25 178.22 1brj h ASP 12 N 0.27 0.34 0.15 0.00 3.32 -0.15 -2.98 116.42 117.36 1brj h ASP 12 Ca 0.22 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1brj h ASP 12 Cb 0.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1brj h ASP 12 CO -0.26 0.74 -0.07 0.22 -1.72 0.00 0.00 179.24 178.15 1brj h TYR 13 N 0.26 -0.19 -0.62 4.55 5.03 -1.18 -2.85 116.97 121.98 1brj h TYR 13 Ca 0.02 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.41 1brj h TYR 13 Cb 0.88 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.16 1brj h TYR 13 CO 0.02 0.09 0.29 -0.07 -1.32 0.00 0.00 178.16 177.17 1brj h LEU 14 N -0.46 0.36 -1.09 2.82 3.38 -1.44 0.43 115.31 119.30 1brj h LEU 14 Ca -0.02 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1brj h LEU 14 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1brj h LEU 14 CO 0.03 0.22 -0.43 1.56 0.09 0.00 0.00 178.44 179.92 1brj h GLN 15 N 0.51 0.06 0.00 1.13 4.20 -1.53 -1.32 115.11 118.16 1brj h GLN 15 Ca 0.30 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1brj h GLN 15 Cb 0.31 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1brj h GLN 15 CO -0.25 0.48 -0.95 1.15 -0.67 0.00 0.00 178.83 178.59 1brj h THR 16 N 0.05 0.71 -0.00 -0.54 2.02 -1.24 -3.42 112.91 110.49 1brj h THR 16 Ca 0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1brj h THR 16 Cb 0.78 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1brj h THR 16 CO 0.06 0.24 -0.74 -1.22 0.37 0.00 0.00 175.52 174.23 1brj n TYR 17 N -4.50 0.00 -2.49 3.16 4.01 0.15 -5.00 117.16 112.49 1brj n TYR 17 Ca -0.23 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.35 1brj n TYR 17 Cb 0.54 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.50 -0.99 -3.64 -0.72 8.25 -0.50 -4.99 115.22 111.13 1brj n HIS 18 Ca 0.05 0.15 -0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1brj n HIS 18 Cb 0.33 -3.29 -0.02 0.00 1.12 0.00 0.00 29.99 28.13 1brj n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brj s LYS 19 N -4.99 1.14 0.52 -0.41 -2.85 -1.25 -5.06 119.74 106.83 1brj s LYS 19 Ca 0.09 -0.55 -0.15 0.00 -1.00 0.00 0.00 55.97 54.35 1brj s LYS 19 Cb -0.04 0.44 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 1brj s LYS 19 CO 0.11 -0.51 0.97 -0.51 0.10 0.00 0.00 175.35 175.50 1brj s LEU 20 N -2.77 3.60 0.99 2.77 1.43 -1.26 -3.95 118.68 119.50 1brj s LEU 20 Ca 0.08 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1brj s LEU 20 Cb -0.02 -4.45 0.19 0.00 0.03 0.00 0.00 46.19 41.94 1brj s LEU 20 CO -0.03 -0.60 1.11 -2.84 0.23 0.00 0.00 176.35 174.22 1brj s PRO 21 N -4.19 0.42 0.00 1.29 0.02 -1.26 -4.91 135.00 126.36 1brj s PRO 21 Ca 0.58 1.32 0.09 0.00 0.02 0.00 0.00 61.00 63.01 1brj s PRO 21 Cb -0.10 -1.67 0.46 0.00 0.02 0.00 0.00 34.50 33.21 1brj s PRO 21 CO 0.34 -2.97 1.17 -0.25 -0.33 0.00 0.00 177.00 174.97 1brj n ASP 22 N -4.44 0.00 -0.46 2.53 8.00 -1.26 -2.63 116.55 118.29 1brj n ASP 22 Ca 0.09 0.16 0.10 0.00 0.71 0.00 0.00 54.79 55.85 1brj n ASP 22 Cb 0.53 -0.29 0.39 0.00 -0.02 0.00 0.00 41.12 41.73 1brj n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brj n ASN 23 N -1.29 1.37 -4.87 -2.24 6.94 -1.26 -4.91 115.26 108.99 1brj n ASN 23 Ca 0.04 -1.68 -0.32 0.00 -0.02 0.00 0.00 54.58 52.60 1brj n ASN 23 Cb 0.07 -0.09 -0.05 0.00 -2.36 0.00 0.00 39.78 37.35 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 -1.81 3.44 0.03 -2.53 1.51 -1.08 -1.15 117.35 115.75 1brj s TYR 24 Ca 0.30 0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 56.56 1brj s TYR 24 Cb 0.16 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1brj s TYR 24 CO 0.24 0.59 0.09 0.96 -1.11 0.00 0.00 175.55 176.33 1brj s ILE 25 N -1.38 0.12 0.88 2.71 -4.36 -0.95 -4.90 121.20 113.32 1brj s ILE 25 Ca 0.30 -0.98 -0.13 0.00 -0.26 0.00 0.00 60.65 59.57 1brj s ILE 25 Cb -0.13 -0.71 0.14 0.00 1.25 0.00 0.00 42.46 43.02 1brj s ILE 25 CO 0.22 -0.54 1.24 0.42 0.24 0.00 0.00 174.94 176.52 1brj s THR 26 N -2.17 2.02 0.32 8.37 -4.23 -1.21 -1.49 115.64 117.26 1brj s THR 26 Ca -0.09 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1brj s THR 26 Cb -0.04 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 71.02 1brj s THR 26 CO -0.03 0.00 1.92 0.11 -0.54 0.00 0.00 174.62 176.09 1brj h LYS 27 N -1.31 0.78 0.32 3.99 1.57 -1.97 -0.22 116.57 119.73 1brj h LYS 27 Ca -0.45 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1brj h LYS 27 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1brj h LYS 27 CO 0.51 0.62 -0.17 0.77 -0.57 0.00 0.00 179.45 180.61 1brj h SER 28 N 0.77 -0.40 -0.44 0.86 0.02 -1.99 0.50 113.55 112.87 1brj h SER 28 Ca 0.19 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1brj h SER 28 Cb 0.11 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1brj h SER 28 CO -0.02 -0.28 0.23 -0.33 -1.14 0.00 0.00 176.83 175.29 1brj h GLU 29 N -0.45 0.63 0.35 3.45 5.08 -1.91 -0.71 114.58 121.02 1brj h GLU 29 Ca -0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1brj h GLU 29 Cb 0.35 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1brj h GLU 29 CO 0.06 0.52 -0.20 0.00 -1.00 0.00 0.00 179.01 178.39 1brj h ALA 30 N 1.07 -0.52 -0.92 3.43 0.00 -0.85 -2.06 119.26 119.42 1brj h ALA 30 Ca 0.15 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1brj h ALA 30 Cb 0.09 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1brj h ALA 30 CO -0.02 -0.80 0.50 -0.56 0.00 0.00 0.00 179.25 178.37 1brj h GLN 31 N -0.53 0.63 -0.23 0.00 -0.00 -0.80 -0.27 115.11 113.91 1brj h GLN 31 Ca -0.04 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 1brj h GLN 31 Cb 0.43 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 27.75 1brj h GLN 31 CO 0.05 0.42 -0.03 0.00 -0.00 0.00 0.00 178.83 179.26 1brj h ALA 32 N 1.61 1.52 0.00 0.06 0.00 -0.47 -2.34 119.26 119.64 1brj h ALA 32 Ca 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1brj h ALA 32 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1brj h ALA 32 CO -0.39 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1brj n LEU 33 N -4.32 0.00 0.00 0.00 4.32 -0.16 -4.89 117.00 111.95 1brj n LEU 33 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1brj n LEU 33 Cb 0.22 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1brj n LEU 33 CO 0.38 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1brj n GLY 34 N 1.19 1.35 3.71 -0.72 0.00 -0.88 -4.91 105.19 104.92 1brj n GLY 34 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.42 -0.23 1.61 -0.00 -0.93 -4.91 118.94 115.90 1brj s TRP 35 Ca 0.00 1.35 -0.00 0.00 -0.00 0.00 0.00 56.10 57.45 1brj s TRP 35 Cb 0.00 -3.37 0.06 0.00 -0.00 0.00 0.00 33.47 30.17 1brj s TRP 35 CO 0.00 -1.06 -0.01 0.54 -0.00 0.00 0.00 176.95 176.42 1brj s VAL 36 N 1.34 1.20 0.16 5.86 0.11 -1.26 -4.38 120.40 123.44 1brj s VAL 36 Ca 0.57 -1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.27 1brj s VAL 36 Cb -0.27 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 1brj s VAL 36 CO 0.27 -0.19 1.56 0.00 -3.33 0.00 0.00 175.10 173.41 1brj h ALA 37 N 8.04 -0.50 -0.00 1.54 0.00 -2.00 0.55 119.26 126.88 1brj h ALA 37 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1brj h ALA 37 Cb 1.08 1.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 1brj h ALA 37 CO 0.40 -0.92 0.01 0.77 0.00 0.00 0.00 179.25 179.50 1brj h SER 38 N -0.26 0.00 0.20 0.00 0.02 -2.03 -1.51 113.55 109.97 1brj h SER 38 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1brj h SER 38 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1brj h SER 38 CO -0.69 0.00 -0.37 0.29 -1.14 0.00 0.00 176.83 174.92 1brj n LYS 39 N -3.31 0.79 -3.74 3.45 5.02 0.16 -4.98 118.16 115.54 1brj n LYS 39 Ca -0.03 -0.53 -0.26 0.00 -2.02 0.00 0.00 58.31 55.48 1brj n LYS 39 Cb 0.08 -1.49 0.05 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 1.38 -0.46 1.07 0.72 0.00 -0.57 -4.93 105.19 102.40 1brj n GLY 40 Ca 0.10 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.96 4.10 -0.07 1.61 6.94 -1.25 -3.99 115.26 119.63 1brj n ASN 41 Ca -0.06 -2.78 -0.07 0.00 -0.02 0.00 0.00 54.58 51.65 1brj n ASN 41 Cb 0.58 -0.52 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 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 2.39 -0.21 -0.69 -4.53 5.85 -1.87 0.13 115.31 116.38 1brj h LEU 42 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1brj h LEU 42 Cb 1.41 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1brj h LEU 42 CO 0.23 -0.07 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 1brj n ALA 43 N -2.50 1.52 0.05 1.25 0.00 -1.26 -0.66 120.51 118.91 1brj n ALA 43 Ca -0.00 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1brj n ALA 43 Cb 0.16 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 1brj n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1brj h ASP 44 N 0.00 0.61 0.53 0.00 3.32 -1.14 -3.16 116.42 116.59 1brj h ASP 44 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1brj h ASP 44 Cb 0.27 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1brj h ASP 44 CO 0.00 1.41 -0.72 1.33 -1.72 0.00 0.00 179.24 179.55 1brj n VAL 45 N -4.05 0.13 -2.88 -1.35 0.24 -0.64 -4.64 118.33 105.15 1brj n VAL 45 Ca -0.13 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1brj n VAL 45 Cb 0.83 0.20 0.02 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.67 -0.21 -1.60 2.33 0.00 0.16 -4.93 120.51 114.58 1brj n ALA 46 Ca 0.04 -2.00 -0.48 0.00 0.00 0.00 0.00 53.44 50.99 1brj n ALA 46 Cb 0.39 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 1.34 1.37 0.00 0.00 -0.02 -1.19 -1.31 135.00 135.20 1brj n PRO 47 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1brj n PRO 47 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.15 2.70 3.89 -1.23 0.00 -1.26 -5.03 105.19 106.41 1brj n GLY 48 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.58 0.00 1.61 -0.14 -0.42 -4.91 119.74 119.46 1brj s LYS 49 Ca 0.00 0.43 -0.07 0.00 -1.36 0.00 0.00 55.97 54.97 1brj s LYS 49 Cb 0.00 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1brj s LYS 49 CO 0.00 -0.34 0.14 -1.12 -0.76 0.00 0.00 175.35 173.27 1brj s SER 50 N -4.09 0.03 0.06 2.83 0.01 -0.30 -4.85 113.70 107.38 1brj s SER 50 Ca 0.51 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 1brj s SER 50 Cb -0.11 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 1brj s SER 50 CO 0.48 -0.37 1.12 -0.63 0.41 0.00 0.00 173.24 174.24 1brj s ILE 51 N -1.39 4.26 -0.12 1.44 -1.09 -1.26 -2.24 121.20 120.80 1brj s ILE 51 Ca -0.15 1.67 -0.30 0.00 -2.23 0.00 0.00 60.65 59.64 1brj s ILE 51 Cb -0.08 -4.07 0.12 0.00 -1.58 0.00 0.00 42.46 36.86 1brj s ILE 51 CO 0.02 0.15 1.01 -0.83 -1.23 0.00 0.00 174.94 174.06 1brj s GLY 52 N 0.86 -0.32 0.00 6.18 0.00 -0.55 -0.62 107.32 112.86 1brj s GLY 52 Ca 0.55 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.91 1brj s GLY 52 CO 0.30 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.72 1brj n GLY 53 N 0.25 1.25 3.82 0.20 0.00 0.62 -3.30 105.19 108.03 1brj n GLY 53 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.86 6.96 0.36 1.61 1.01 -1.24 -4.76 116.67 118.75 1brj s ASP 54 Ca 0.00 1.57 -0.28 0.00 0.71 0.00 0.00 52.55 54.55 1brj s ASP 54 Cb 0.00 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 1brj s ASP 54 CO 0.00 -0.24 1.41 -0.63 0.21 0.00 0.00 175.17 175.93 1brj s ILE 55 N -1.98 2.31 -0.19 0.77 -1.09 -1.26 -1.05 121.20 118.70 1brj s ILE 55 Ca 0.56 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.31 1brj s ILE 55 Cb -0.11 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1brj s ILE 55 CO 0.17 0.07 -0.18 0.12 -1.23 0.00 0.00 174.94 173.88 1brj s PHE 56 N -1.14 2.83 0.21 3.97 5.36 -0.09 -4.81 117.98 124.32 1brj s PHE 56 Ca 0.52 -1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 54.66 1brj s PHE 56 Cb -0.44 -1.91 0.16 0.00 -0.34 0.00 0.00 43.02 40.50 1brj s PHE 56 CO 0.59 -0.82 1.83 0.77 -1.46 0.00 0.00 175.22 176.13 1brj h SER 57 N 7.92 1.01 -1.20 6.13 0.02 -1.95 -3.37 113.55 122.10 1brj h SER 57 Ca -0.42 -0.11 -0.24 0.00 -0.84 0.00 0.00 61.79 60.19 1brj h SER 57 Cb 1.12 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 1brj h SER 57 CO 0.61 0.83 -0.26 -3.20 -1.14 0.00 0.00 176.83 173.66 1brj n ASN 58 N -4.40 -4.03 -0.12 3.07 5.15 -1.26 -4.89 115.26 108.78 1brj n ASN 58 Ca 0.08 0.11 0.23 0.00 -0.60 0.00 0.00 54.58 54.40 1brj n ASN 58 Cb 0.10 -2.96 0.66 0.00 -0.53 0.00 0.00 39.78 37.06 1brj n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brj h ARG 59 N 0.00 0.10 -0.01 1.20 3.08 -2.00 -0.36 114.38 116.38 1brj h ARG 59 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1brj h ARG 59 Cb 1.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1brj h ARG 59 CO 0.34 0.07 0.00 0.39 -1.07 0.00 0.00 179.97 179.69 1brj n GLU 60 N -4.37 1.32 -3.11 0.04 1.02 -1.26 -4.93 120.64 109.35 1brj n GLU 60 Ca 0.15 -0.47 -0.23 0.00 -0.02 0.00 0.00 57.16 56.60 1brj n GLU 60 Cb 0.75 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1brj n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brj n GLY 61 N 1.07 -0.51 0.10 0.62 0.00 -0.15 -4.94 105.19 101.38 1brj n GLY 61 Ca 0.21 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.48 1brj n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1brj n LYS 62 N -3.93 0.24 -4.57 1.61 5.02 -1.26 -4.78 118.16 110.49 1brj n LYS 62 Ca -0.09 0.23 -0.32 0.00 -2.02 0.00 0.00 58.31 56.11 1brj n LYS 62 Cb 0.60 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1brj n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1brj s LEU 63 N -4.43 3.00 0.26 -0.35 1.43 -1.26 -4.92 118.68 112.40 1brj s LEU 63 Ca 0.10 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 1brj s LEU 63 Cb 0.12 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.52 1brj s LEU 63 CO 0.57 0.29 1.57 -2.16 0.23 0.00 0.00 176.35 176.85 1brj s PRO 64 N -1.29 4.17 0.36 1.29 0.04 -1.26 -5.02 135.00 133.29 1brj s PRO 64 Ca 0.16 2.49 0.07 0.00 0.04 0.00 0.00 61.00 63.76 1brj s PRO 64 Cb -0.11 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1brj s PRO 64 CO 0.06 -0.59 0.37 0.20 0.04 0.00 0.00 177.00 177.08 1brj s GLY 65 N 0.62 1.84 -0.17 0.56 0.00 -1.26 -5.09 107.32 103.81 1brj s GLY 65 Ca 0.64 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1brj s GLY 65 CO 0.43 -1.56 1.00 0.54 0.00 0.00 0.00 173.10 173.52 1brj s LYS 66 N -4.09 0.58 0.26 2.90 3.01 -1.26 -5.04 119.74 116.09 1brj s LYS 66 Ca 0.45 0.19 -0.30 0.00 -1.01 0.00 0.00 55.97 55.30 1brj s LYS 66 Cb -0.06 0.28 -0.13 0.00 -1.01 0.00 0.00 37.83 36.90 1brj s LYS 66 CO 0.28 -0.17 1.33 0.45 0.51 0.00 0.00 175.35 177.75 1brj n SER 67 N 0.90 2.50 0.00 2.83 2.88 -1.26 -1.13 113.62 120.34 1brj n SER 67 Ca -0.10 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1brj n SER 67 Cb 0.58 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 1.79 0.72 3.73 0.46 0.00 -1.26 -4.99 105.19 105.64 1brj n GLY 68 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.39 4.45 -0.09 1.61 3.52 -0.28 -4.95 118.95 122.82 1brj s ARG 69 Ca 0.00 0.94 0.02 0.00 -0.13 0.00 0.00 55.73 56.57 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 0.18 -0.16 0.99 -0.81 0.00 0.00 175.30 175.50 1brj s THR 70 N 0.38 2.87 -0.02 4.11 2.01 -1.26 -4.76 115.64 118.96 1brj s THR 70 Ca 0.38 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1brj s THR 70 Cb -0.19 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1brj s THR 70 CO 0.20 0.56 0.04 0.26 -0.69 0.00 0.00 174.62 174.98 1brj s TRP 71 N -0.11 3.19 0.11 4.92 0.52 -1.26 -0.93 118.94 125.37 1brj s TRP 71 Ca -0.02 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.30 1brj s TRP 71 Cb -0.14 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1brj s TRP 71 CO 0.04 0.51 -0.09 1.03 0.02 0.00 0.00 176.95 178.45 1brj s ARG 72 N -1.49 0.88 0.24 4.98 0.52 -0.85 -0.92 118.95 122.31 1brj s ARG 72 Ca 0.19 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 54.21 1brj s ARG 72 Cb -0.12 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.82 1brj s ARG 72 CO 0.10 0.06 -0.03 -1.83 0.02 0.00 0.00 175.30 173.62 1brj s GLU 73 N -3.16 1.39 -0.05 3.54 -1.05 -0.22 -1.66 118.70 117.49 1brj s GLU 73 Ca 0.08 -1.69 -0.09 0.00 -0.15 0.00 0.00 54.97 53.12 1brj s GLU 73 Cb -0.00 -0.81 0.02 0.00 -0.44 0.00 0.00 34.13 32.89 1brj s GLU 73 CO -0.01 -0.03 0.23 0.00 0.95 0.00 0.00 175.26 176.40 1brj s ALA 74 N -3.26 -0.57 0.25 -0.84 0.00 -0.63 -0.28 121.76 116.43 1brj s ALA 74 Ca 0.28 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1brj s ALA 74 Cb 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 1brj s ALA 74 CO 0.09 -0.16 1.05 -0.51 0.00 0.00 0.00 175.76 176.23 1brj s ASP 75 N -0.51 7.38 0.07 0.00 1.11 0.21 -1.10 116.67 123.82 1brj s ASP 75 Ca -0.06 2.14 0.09 0.00 0.18 0.00 0.00 52.55 54.91 1brj s ASP 75 Cb -0.04 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1brj s ASP 75 CO 0.01 -0.06 -0.25 -0.63 1.18 0.00 0.00 175.17 175.42 1brj s ILE 76 N -1.02 2.06 -0.79 0.77 -1.09 -0.81 -4.70 121.20 115.62 1brj s ILE 76 Ca 0.44 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1brj s ILE 76 Cb -0.30 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.80 1brj s ILE 76 CO 0.37 0.25 0.00 0.59 -1.23 0.00 0.00 174.94 174.92 1brj n ASN 77 N 1.54 -4.80 -4.71 3.58 3.02 0.58 -4.60 115.26 109.86 1brj n ASN 77 Ca -0.17 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 1brj n ASN 77 Cb 0.52 -2.96 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.98 3.49 0.03 3.10 5.04 -1.26 -4.92 117.35 120.85 1brj s TYR 78 Ca 0.00 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.06 1brj s TYR 78 Cb 0.00 -3.29 -0.01 0.00 0.35 0.00 0.00 41.96 39.00 1brj s TYR 78 CO 0.00 -0.74 -0.06 2.41 -1.34 0.00 0.00 175.55 175.82 1brj n THR 79 N 4.05 1.06 -3.61 4.34 -1.04 -1.26 -4.97 114.28 112.84 1brj n THR 79 Ca 0.08 0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.27 1brj n THR 79 Cb 0.48 -1.69 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1brj n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1brj s SER 80 N -5.86 -0.40 0.00 8.00 1.04 -1.26 -4.76 113.70 110.45 1brj s SER 80 Ca -0.06 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1brj s SER 80 Cb 0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1brj s SER 80 CO 0.08 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1brj n GLY 81 N -0.40 -0.89 3.77 7.32 0.00 -1.26 -4.90 105.19 108.83 1brj n GLY 81 Ca -0.10 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 2.68 0.48 1.61 0.08 -1.26 -4.46 117.98 117.10 1brj s PHE 82 Ca 0.00 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.35 1brj s PHE 82 Cb 0.00 -3.20 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 1brj s PHE 82 CO 0.00 -1.58 1.38 1.03 -0.10 0.00 0.00 175.22 175.95 1brj s ARG 83 N -3.76 3.55 0.00 0.44 0.52 -1.26 -5.03 118.95 113.41 1brj s ARG 83 Ca 0.69 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 58.21 1brj s ARG 83 Cb -0.21 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1brj s ARG 83 CO 0.35 -0.89 0.00 0.27 0.02 0.00 0.00 175.30 175.05 1brj n ASN 84 N -0.43 0.00 -1.00 0.23 0.23 -1.26 -5.03 115.26 108.00 1brj n ASN 84 Ca 0.07 -0.26 0.08 0.00 -0.53 0.00 0.00 54.58 53.93 1brj n ASN 84 Cb 0.43 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.79 3.62 -4.62 0.53 3.41 -1.26 -4.95 113.62 109.56 1brj n SER 85 Ca 0.00 -2.23 -0.36 0.00 -0.26 0.00 0.00 58.87 56.02 1brj n SER 85 Cb 0.00 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.11 5.87 -0.00 4.04 1.01 -1.26 -1.51 116.67 123.70 1brj s ASP 86 Ca 0.36 0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.63 1brj s ASP 86 Cb 0.22 -2.05 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 1brj s ASP 86 CO 0.20 0.06 0.07 -0.13 0.21 0.00 0.00 175.17 175.57 1brj s ARG 87 N 1.09 0.30 -0.18 8.23 1.81 -0.32 -1.92 118.95 127.95 1brj s ARG 87 Ca 0.06 -0.29 -0.06 0.00 -1.72 0.00 0.00 55.73 53.72 1brj s ARG 87 Cb -0.14 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 1brj s ARG 87 CO 0.04 -0.06 0.04 0.00 -0.68 0.00 0.00 175.30 174.64 1brj s ALA 88 N -0.91 3.26 -0.18 2.13 0.00 -0.26 -0.88 121.76 124.92 1brj s ALA 88 Ca -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1brj s ALA 88 Cb -0.06 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1brj s ALA 88 CO 0.00 0.10 -0.02 -0.51 0.00 0.00 0.00 175.76 175.33 1brj s LEU 89 N 0.54 3.21 -0.02 0.00 2.01 0.56 -1.61 118.68 123.37 1brj s LEU 89 Ca 0.01 -0.19 0.01 0.00 0.01 0.00 0.00 54.13 53.97 1brj s LEU 89 Cb -0.13 -1.79 0.01 0.00 0.01 0.00 0.00 46.19 44.28 1brj s LEU 89 CO 0.01 0.10 -0.03 -0.72 1.01 0.00 0.00 176.35 176.73 1brj s TYR 90 N 0.76 0.38 0.61 0.29 -0.85 -0.66 -0.45 117.35 117.43 1brj s TYR 90 Ca -0.01 -0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 1brj s TYR 90 Cb -0.14 -0.34 0.03 0.00 0.38 0.00 0.00 41.96 41.89 1brj s TYR 90 CO 0.02 -0.07 0.90 -1.54 -1.52 0.00 0.00 175.55 173.34 1brj s SER 91 N 0.41 5.30 0.57 -0.18 1.04 -0.69 -2.02 113.70 118.14 1brj s SER 91 Ca -0.04 0.46 0.31 0.00 0.48 0.00 0.00 55.95 57.16 1brj s SER 91 Cb -0.07 -1.35 1.72 0.00 0.10 0.00 0.00 66.02 66.42 1brj s SER 91 CO -0.01 -1.22 2.18 0.77 0.98 0.00 0.00 173.24 175.95 1brj h SER 92 N -0.22 0.00 -0.57 7.02 4.64 -1.39 -0.57 113.55 122.46 1brj h SER 92 Ca -0.45 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 1brj h SER 92 Cb 1.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 1brj h SER 92 CO 0.59 0.05 0.17 -0.90 -0.87 0.00 0.00 176.83 175.87 1brj n ASP 93 N -3.65 3.95 -4.00 4.97 5.75 -1.26 -4.97 116.55 117.34 1brj n ASP 93 Ca -0.02 -3.36 -0.32 0.00 -0.01 0.00 0.00 54.79 51.08 1brj n ASP 93 Cb 0.15 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 39.57 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 -0.58 -2.13 -2.93 2.11 7.02 -0.22 -4.99 117.44 115.72 1brj n TRP 94 Ca 0.37 0.87 -0.37 0.00 -1.02 0.00 0.00 57.50 57.35 1brj n TRP 94 Cb 1.23 -3.64 -0.06 0.00 -2.42 0.00 0.00 31.31 26.43 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 -7.27 4.37 -0.09 -0.99 1.43 -1.26 -4.85 118.68 110.03 1brj s LEU 95 Ca 0.69 1.65 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1brj s LEU 95 Cb -0.36 -3.76 0.02 0.00 0.03 0.00 0.00 46.19 42.11 1brj s LEU 95 CO 0.85 0.01 -0.12 -0.63 0.23 0.00 0.00 176.35 176.68 1brj s ILE 96 N -1.52 1.23 0.22 -0.59 -1.09 -0.85 -1.70 121.20 116.90 1brj s ILE 96 Ca 0.46 -0.50 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 1brj s ILE 96 Cb -0.18 -1.14 -0.05 0.00 -1.58 0.00 0.00 42.46 39.51 1brj s ILE 96 CO 0.23 0.38 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.84 1brj s TYR 97 N 0.92 1.97 0.11 3.97 1.51 0.41 -1.08 117.35 125.16 1brj s TYR 97 Ca -0.09 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.57 1brj s TYR 97 Cb -0.15 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1brj s TYR 97 CO 0.00 0.49 -0.14 -1.59 -1.11 0.00 0.00 175.55 173.20 1brj s LYS 98 N -3.36 0.97 -0.01 -0.62 -2.85 0.10 -0.33 119.74 113.65 1brj s LYS 98 Ca 0.24 -1.18 0.02 0.00 -1.00 0.00 0.00 55.97 54.05 1brj s LYS 98 Cb -0.04 -0.85 -0.00 0.00 -2.06 0.00 0.00 37.83 34.88 1brj s LYS 98 CO 0.10 0.17 -0.06 -0.08 0.10 0.00 0.00 175.35 175.57 1brj s THR 99 N -2.01 0.49 -0.06 3.79 -1.32 -0.06 -1.27 115.64 115.20 1brj s THR 99 Ca 0.07 -0.25 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 1brj s THR 99 Cb -0.06 -0.42 0.14 0.00 -1.51 0.00 0.00 72.50 70.65 1brj s THR 99 CO 0.03 0.14 1.02 0.35 -2.21 0.00 0.00 174.62 173.95 1brj n THR 100 N 3.00 1.06 -2.75 5.08 -2.24 -1.26 -1.17 114.28 116.01 1brj n THR 100 Ca -0.14 -1.24 -0.04 0.00 -2.27 0.00 0.00 64.05 60.36 1brj n THR 100 Cb 0.57 0.20 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.76 1.50 -3.53 3.42 5.68 -1.15 -4.60 116.55 117.11 1brj n ASP 101 Ca 0.07 -2.36 -0.19 0.00 -0.50 0.00 0.00 54.79 51.81 1brj n ASP 101 Cb 0.57 -0.50 0.06 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.34 -2.10 -1.81 2.11 8.25 -0.57 -2.93 115.22 117.83 1brj n HIS 102 Ca 0.08 0.85 -0.20 0.00 -0.26 0.00 0.00 57.72 58.19 1brj n HIS 102 Cb 0.81 -4.53 -0.06 0.00 1.12 0.00 0.00 29.99 27.32 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 -4.04 -0.28 0.02 4.41 4.01 -1.26 -4.91 117.16 115.11 1brj n TYR 103 Ca -0.24 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.28 1brj n TYR 103 Cb 0.66 -3.45 -0.14 0.00 -0.31 0.00 0.00 39.34 36.10 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 0.26 -5.20 -0.72 4.20 -1.95 -3.47 115.11 108.23 1brj h GLN 104 Ca -0.42 -0.44 -0.45 0.00 0.06 0.00 0.00 58.65 57.40 1brj h GLN 104 Cb 1.30 0.16 -0.27 0.00 0.30 0.00 0.00 27.48 28.98 1brj h GLN 104 CO 0.58 1.21 -0.80 0.95 -0.67 0.00 0.00 178.83 180.10 1brj s THR 105 N -2.47 1.04 0.10 -0.54 -4.23 -1.26 -5.11 115.64 103.17 1brj s THR 105 Ca -0.18 -0.77 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1brj s THR 105 Cb 0.04 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 1brj s THR 105 CO 0.78 0.13 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.45 1brj s PHE 106 N -0.59 1.61 -0.04 3.99 0.08 -1.26 -4.35 117.98 117.41 1brj s PHE 106 Ca 0.03 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 1brj s PHE 106 Cb -0.06 -0.87 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1brj s PHE 106 CO 0.00 0.18 0.09 0.99 -0.10 0.00 0.00 175.22 176.39 1brj s THR 107 N -1.42 -0.04 0.13 0.64 2.01 -0.39 -4.91 115.64 111.66 1brj s THR 107 Ca 0.06 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 1brj s THR 107 Cb -0.09 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.17 1brj s THR 107 CO 0.04 0.06 1.48 -0.75 -0.69 0.00 0.00 174.62 174.76 1brj s LYS 108 N 0.86 4.27 0.00 4.92 2.20 -1.26 0.03 119.74 130.75 1brj s LYS 108 Ca -0.07 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1brj s LYS 108 Cb -0.09 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1brj s LYS 108 CO -0.04 -0.53 0.00 0.44 -0.36 0.00 0.00 175.35 174.86 1brj n ILE 109 N 4.02 0.00 -1.71 5.43 -5.35 -0.24 -4.91 119.36 116.60 1brj n ILE 109 Ca 0.13 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1brj n ILE 109 Cb 0.41 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1brj n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33