#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brn s ILE 4 N 0.00 1.49 0.00 2.52 1.01 -1.26 -4.99 121.20 119.97 1brn s ILE 4 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1brn s ILE 4 Cb 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1brn s ILE 4 CO 0.00 -0.13 0.89 -0.46 0.00 0.00 0.00 174.94 175.25 1brn n ASN 5 N 4.68 0.00 -4.97 3.58 6.94 -1.26 -4.79 115.26 119.44 1brn n ASN 5 Ca -0.11 -1.80 -0.21 0.00 -0.02 0.00 0.00 54.58 52.44 1brn n ASN 5 Cb 0.44 -0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1brn n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brn s THR 6 N 0.00 5.12 0.13 5.53 -4.23 -1.26 -0.52 115.64 120.41 1brn s THR 6 Ca 0.00 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1brn s THR 6 Cb 0.00 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1brn s THR 6 CO 0.00 -0.31 1.63 -0.26 -0.54 0.00 0.00 174.62 175.14 1brn h PHE 7 N 1.15 -0.68 -0.58 3.99 0.04 -1.98 0.13 116.94 119.01 1brn h PHE 7 Ca -0.51 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.18 1brn h PHE 7 Cb 1.23 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.68 1brn h PHE 7 CO 0.45 -0.34 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.33 1brn h ASP 8 N -0.35 1.05 -0.03 2.17 3.32 -1.98 -0.31 116.42 120.28 1brn h ASP 8 Ca 0.09 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1brn h ASP 8 Cb 0.47 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1brn h ASP 8 CO -0.28 1.12 0.02 1.23 -1.72 0.00 0.00 179.24 179.61 1brn h GLY 9 N 0.95 0.05 1.08 2.75 0.00 -1.88 -0.67 103.07 105.35 1brn h GLY 9 Ca 0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.32 1brn h GLY 9 CO 0.04 0.02 -0.37 -2.08 0.00 0.00 0.00 176.54 174.15 1brn h VAL 10 N -0.00 1.28 -0.47 4.60 2.07 -0.74 -1.99 116.25 121.00 1brn h VAL 10 Ca 0.01 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1brn h VAL 10 Cb 0.05 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1brn h VAL 10 CO -0.00 0.51 0.30 0.00 0.02 0.00 0.00 177.57 178.40 1brn h ALA 11 N 0.74 0.60 -0.26 1.67 0.00 -0.97 0.19 119.26 121.22 1brn h ALA 11 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1brn h ALA 11 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1brn h ALA 11 CO 0.09 0.01 0.13 -0.44 0.00 0.00 0.00 179.25 179.04 1brn h ASP 12 N 0.61 0.33 -0.15 0.00 3.32 -1.07 -0.59 116.42 118.87 1brn h ASP 12 Ca 0.18 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1brn h ASP 12 Cb -0.04 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1brn h ASP 12 CO -0.06 0.35 0.05 0.22 -1.72 0.00 0.00 179.24 178.08 1brn h TYR 13 N 0.29 0.09 -0.26 4.55 5.03 -0.98 -0.32 116.97 125.36 1brn h TYR 13 Ca 0.09 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.45 1brn h TYR 13 Cb 0.10 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.32 1brn h TYR 13 CO -0.03 0.04 -0.01 -0.07 -1.32 0.00 0.00 178.16 176.78 1brn h LEU 14 N 0.12 -0.12 -0.70 2.82 3.38 -0.45 0.25 115.31 120.61 1brn h LEU 14 Ca 0.06 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1brn h LEU 14 Cb 0.04 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1brn h LEU 14 CO -0.07 -0.03 0.44 1.56 0.09 0.00 0.00 178.44 180.43 1brn h GLN 15 N 0.07 0.82 0.09 1.13 4.20 -0.81 0.40 115.11 121.00 1brn h GLN 15 Ca 0.12 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1brn h GLN 15 Cb 0.17 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1brn h GLN 15 CO -0.22 0.54 -0.04 1.15 -0.67 0.00 0.00 178.83 179.59 1brn h THR 16 N 0.84 1.08 -0.02 -0.54 2.02 -0.64 -3.39 112.91 112.26 1brn h THR 16 Ca 0.29 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1brn h THR 16 Cb 0.05 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1brn h THR 16 CO -0.12 0.30 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 1brn n TYR 17 N -4.83 0.00 -3.72 3.16 4.01 0.86 -5.00 117.16 111.64 1brn n TYR 17 Ca -0.08 -0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.38 1brn n TYR 17 Cb 0.29 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1brn n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brn n HIS 18 N 1.06 -2.05 -3.47 -0.72 8.25 0.14 -4.94 115.22 113.50 1brn n HIS 18 Ca 0.11 0.73 -0.11 0.00 -0.26 0.00 0.00 57.72 58.19 1brn n HIS 18 Cb 0.47 -3.56 -0.02 0.00 1.12 0.00 0.00 29.99 28.00 1brn n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brn s LYS 19 N -6.41 1.30 0.51 -0.41 -2.85 -1.26 -5.07 119.74 105.55 1brn s LYS 19 Ca 0.57 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 54.87 1brn s LYS 19 Cb -0.29 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 1brn s LYS 19 CO 0.70 -0.57 0.97 -0.51 0.10 0.00 0.00 175.35 176.04 1brn s LEU 20 N -2.75 3.64 1.20 2.77 1.43 -1.26 -4.12 118.68 119.59 1brn s LEU 20 Ca 0.02 1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 54.52 1brn s LEU 20 Cb -0.01 -4.48 0.27 0.00 0.03 0.00 0.00 46.19 42.00 1brn s LEU 20 CO -0.11 -0.57 0.80 -2.65 0.23 0.00 0.00 176.35 174.05 1brn n PRO 21 N -1.54 -2.58 0.00 1.29 -0.02 -1.26 -4.89 135.00 126.00 1brn n PRO 21 Ca 0.06 -0.73 0.13 0.00 -2.02 0.00 0.00 63.50 60.95 1brn n PRO 21 Cb 0.54 -2.05 0.79 0.00 -0.02 0.00 0.00 33.50 32.77 1brn n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1brn n ASP 22 N -4.42 0.00 -0.42 2.55 8.00 -1.26 -2.94 116.55 118.06 1brn n ASP 22 Ca 0.02 -1.02 0.12 0.00 0.71 0.00 0.00 54.79 54.63 1brn n ASP 22 Cb 0.56 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.15 1brn n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brn n ASN 23 N -0.95 1.29 -4.84 -2.24 6.94 -1.26 -4.86 115.26 109.34 1brn n ASN 23 Ca 0.20 -1.54 -0.37 0.00 -0.02 0.00 0.00 54.58 52.85 1brn n ASN 23 Cb 0.09 -0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1brn n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brn s TYR 24 N -1.90 3.56 0.06 -2.53 2.02 -1.15 -0.81 117.35 116.59 1brn s TYR 24 Ca 0.35 0.52 0.04 0.00 -0.37 0.00 0.00 57.07 57.60 1brn s TYR 24 Cb 0.19 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1brn s TYR 24 CO 0.29 0.62 -0.11 0.96 -1.57 0.00 0.00 175.55 175.74 1brn s ILE 25 N -0.68 0.82 0.88 2.71 -4.36 -0.33 -4.91 121.20 115.33 1brn s ILE 25 Ca 0.14 -1.19 -0.12 0.00 -0.26 0.00 0.00 60.65 59.22 1brn s ILE 25 Cb -0.12 -0.84 0.12 0.00 1.25 0.00 0.00 42.46 42.87 1brn s ILE 25 CO 0.03 -0.31 1.15 0.42 0.24 0.00 0.00 174.94 176.48 1brn s THR 26 N -1.33 2.00 0.19 8.37 -4.23 -1.21 -0.39 115.64 119.03 1brn s THR 26 Ca -0.06 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1brn s THR 26 Cb -0.10 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 71.03 1brn s THR 26 CO 0.01 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.02 1brn h LYS 27 N -1.36 0.96 -0.75 3.99 1.57 -1.97 0.26 116.57 119.28 1brn h LYS 27 Ca -0.49 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 1brn h LYS 27 Cb 1.33 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1brn h LYS 27 CO 0.63 0.71 0.37 1.03 -0.57 0.00 0.00 179.45 181.63 1brn h SER 28 N 0.95 0.97 -0.62 0.86 0.87 -1.99 0.12 113.55 114.71 1brn h SER 28 Ca 0.24 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1brn h SER 28 Cb 0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 1brn h SER 28 CO -0.04 0.83 0.17 -0.33 -0.53 0.00 0.00 176.83 176.93 1brn h GLU 29 N 1.05 0.98 -0.36 2.24 5.08 -1.86 -1.31 114.58 120.41 1brn h GLU 29 Ca 0.26 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1brn h GLU 29 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1brn h GLU 29 CO -0.03 0.88 0.06 0.00 -1.00 0.00 0.00 179.01 178.92 1brn h ALA 30 N 1.06 0.47 -0.45 3.43 0.00 -0.32 -2.52 119.26 120.93 1brn h ALA 30 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1brn h ALA 30 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1brn h ALA 30 CO -0.00 0.17 0.27 1.96 0.00 0.00 0.00 179.25 181.64 1brn h GLN 31 N 0.43 0.60 0.00 0.00 4.20 -0.61 -0.74 115.11 118.99 1brn h GLN 31 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1brn h GLN 31 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1brn h GLN 31 CO 0.01 0.43 -0.32 0.00 -0.67 0.00 0.00 178.83 178.27 1brn h ALA 32 N 1.68 1.39 -0.00 3.87 0.00 -0.84 -2.01 119.26 123.36 1brn h ALA 32 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1brn h ALA 32 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1brn h ALA 32 CO -0.03 0.40 -0.08 1.28 0.00 0.00 0.00 179.25 180.82 1brn n LEU 33 N -4.04 0.20 0.00 0.00 4.77 -0.36 -4.90 117.00 112.67 1brn n LEU 33 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1brn n LEU 33 Cb 0.37 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1brn n LEU 33 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1brn n GLY 34 N 1.36 1.01 3.69 -0.72 0.00 -0.75 -4.86 105.19 104.92 1brn n GLY 34 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1brn n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brn s TRP 35 N -2.00 2.61 -0.21 1.61 -0.00 -0.73 -4.98 118.94 115.25 1brn s TRP 35 Ca 0.00 0.47 -0.00 0.00 -0.00 0.00 0.00 56.10 56.57 1brn s TRP 35 Cb 0.00 -3.89 0.05 0.00 -0.00 0.00 0.00 33.47 29.63 1brn s TRP 35 CO 0.00 -3.49 -0.05 0.08 -0.00 0.00 0.00 176.95 173.49 1brn s VAL 36 N 2.35 1.30 0.20 5.86 1.01 -1.26 -4.38 120.40 125.47 1brn s VAL 36 Ca 0.71 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1brn s VAL 36 Cb -0.39 -1.55 0.17 0.00 0.00 0.00 0.00 36.38 34.62 1brn s VAL 36 CO 0.31 -0.02 1.59 0.00 0.00 0.00 0.00 175.10 176.99 1brn h ALA 37 N 8.04 0.12 0.00 5.51 0.00 -2.00 0.34 119.26 131.27 1brn h ALA 37 Ca -0.21 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1brn h ALA 37 Cb 1.09 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1brn h ALA 37 CO 0.41 -0.59 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 1brn n SER 38 N -5.45 0.42 0.02 0.00 3.41 -1.26 -1.92 113.62 108.84 1brn n SER 38 Ca 0.06 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1brn n SER 38 Cb 0.36 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1brn n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1brn n LYS 39 N -2.02 0.16 -3.89 4.33 5.02 0.09 -4.98 118.16 116.89 1brn n LYS 39 Ca 0.01 -0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 1brn n LYS 39 Cb 0.10 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1brn n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brn n GLY 40 N 1.42 -0.48 1.62 0.72 0.00 -0.81 -4.89 105.19 102.77 1brn n GLY 40 Ca 0.03 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1brn n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brn n ASN 41 N -2.68 5.05 -0.21 1.61 6.94 -1.26 -4.16 115.26 120.55 1brn n ASN 41 Ca 0.04 -2.69 0.02 0.00 -0.02 0.00 0.00 54.58 51.93 1brn n ASN 41 Cb 0.52 -0.61 0.13 0.00 -2.36 0.00 0.00 39.78 37.46 1brn n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brn h LEU 42 N 3.78 0.05 -0.47 -4.53 5.85 -1.89 0.54 115.31 118.64 1brn h LEU 42 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1brn h LEU 42 Cb 1.66 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1brn h LEU 42 CO 0.33 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.45 1brn n ALA 43 N -2.59 1.70 -0.03 1.25 0.00 -1.26 -0.55 120.51 119.02 1brn n ALA 43 Ca 0.10 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1brn n ALA 43 Cb 0.35 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1brn n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1brn n ASP 44 N -2.03 1.26 0.08 0.00 3.85 0.07 -3.60 116.55 116.19 1brn n ASP 44 Ca 0.03 0.24 0.11 0.00 -0.71 0.00 0.00 54.79 54.46 1brn n ASP 44 Cb 0.22 -0.21 -0.03 0.00 -1.35 0.00 0.00 41.12 39.75 1brn n ASP 44 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1brn n VAL 45 N -3.17 0.51 -3.08 2.12 0.24 -0.54 -4.67 118.33 109.74 1brn n VAL 45 Ca -0.27 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.34 61.32 1brn n VAL 45 Cb 1.06 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1brn n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brn n ALA 46 N -2.19 0.98 -1.66 2.33 0.00 0.29 -4.90 120.51 115.36 1brn n ALA 46 Ca -0.01 -2.47 -0.44 0.00 0.00 0.00 0.00 53.44 50.52 1brn n ALA 46 Cb 0.55 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1brn n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brn n PRO 47 N 2.14 1.89 -0.86 0.00 -0.02 -1.24 -1.72 135.00 135.20 1brn n PRO 47 Ca 0.21 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1brn n PRO 47 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1brn n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brn n GLY 48 N 1.57 0.27 3.93 -1.23 0.00 -1.26 -5.00 105.19 103.48 1brn n GLY 48 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1brn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brn s LYS 49 N -0.97 3.45 0.06 1.61 1.02 -0.70 -4.85 119.74 119.36 1brn s LYS 49 Ca 0.00 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.53 1brn s LYS 49 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1brn s LYS 49 CO 0.00 0.54 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.68 1brn s SER 50 N -2.99 1.99 0.12 2.83 0.01 0.01 -4.85 113.70 110.81 1brn s SER 50 Ca 0.35 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1brn s SER 50 Cb -0.12 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1brn s SER 50 CO 0.28 0.04 0.99 -0.63 0.41 0.00 0.00 173.24 174.33 1brn s ILE 51 N -0.99 4.41 -0.21 1.44 -1.09 -1.26 -1.19 121.20 122.31 1brn s ILE 51 Ca 0.03 1.99 -0.35 0.00 -2.23 0.00 0.00 60.65 60.09 1brn s ILE 51 Cb -0.09 -4.27 0.14 0.00 -1.58 0.00 0.00 42.46 36.67 1brn s ILE 51 CO 0.02 0.30 1.23 -0.83 -1.23 0.00 0.00 174.94 174.43 1brn s GLY 52 N 0.05 -0.25 0.00 6.18 0.00 0.47 -0.91 107.32 112.87 1brn s GLY 52 Ca 0.48 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.96 1brn s GLY 52 CO 0.30 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.63 1brn n GLY 53 N 0.01 0.70 3.91 0.20 0.00 0.10 -3.35 105.19 106.76 1brn n GLY 53 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1brn n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brn s ASP 54 N -2.61 6.03 0.26 1.61 1.01 -1.20 -4.81 116.67 116.97 1brn s ASP 54 Ca 0.00 0.85 -0.29 0.00 0.71 0.00 0.00 52.55 53.81 1brn s ASP 54 Cb 0.00 -2.05 -0.09 0.00 1.01 0.00 0.00 42.92 41.78 1brn s ASP 54 CO 0.00 -0.75 1.22 -0.63 0.21 0.00 0.00 175.17 175.23 1brn s ILE 55 N -2.83 3.20 -0.27 0.77 -1.09 -1.26 -1.36 121.20 118.35 1brn s ILE 55 Ca 0.50 1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 60.00 1brn s ILE 55 Cb -0.10 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1brn s ILE 55 CO 0.45 0.23 0.01 0.12 -1.23 0.00 0.00 174.94 174.53 1brn s PHE 56 N -0.71 3.11 -0.04 3.97 5.36 0.94 -4.80 117.98 125.81 1brn s PHE 56 Ca 0.50 -1.27 0.31 0.00 -0.96 0.00 0.00 56.93 55.51 1brn s PHE 56 Cb -0.35 -2.16 1.29 0.00 -0.34 0.00 0.00 43.02 41.46 1brn s PHE 56 CO 0.43 -0.65 1.92 0.77 -1.46 0.00 0.00 175.22 176.23 1brn h SER 57 N 8.12 0.00 -6.10 6.13 0.02 -1.96 -3.36 113.55 116.40 1brn h SER 57 Ca -0.32 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.17 1brn h SER 57 Cb 1.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1brn h SER 57 CO 0.59 0.00 -0.73 -3.20 -1.14 0.00 0.00 176.83 172.35 1brn n ASN 58 N -2.86 -4.91 0.07 3.07 5.15 -1.26 -4.86 115.26 109.66 1brn n ASN 58 Ca 0.01 -0.70 0.10 0.00 -0.60 0.00 0.00 54.58 53.39 1brn n ASN 58 Cb 0.28 -3.93 0.56 0.00 -0.53 0.00 0.00 39.78 36.16 1brn n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brn h ARG 59 N -1.98 0.23 0.00 1.20 3.08 -2.00 -1.57 114.38 113.34 1brn h ARG 59 Ca -0.56 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1brn h ARG 59 Cb 1.37 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1brn h ARG 59 CO 0.65 0.15 0.00 0.39 -1.07 0.00 0.00 179.97 180.09 1brn n GLU 60 N -4.48 0.11 -1.72 0.04 4.71 -1.26 -4.94 120.64 113.10 1brn n GLU 60 Ca 0.04 0.09 -0.14 0.00 -0.01 0.00 0.00 57.16 57.14 1brn n GLU 60 Cb 0.23 -1.63 -0.04 0.00 -1.01 0.00 0.00 31.44 28.99 1brn n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1brn n GLY 61 N 1.39 0.85 0.15 0.62 0.00 -0.59 -4.91 105.19 102.71 1brn n GLY 61 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1brn n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brn h LYS 62 N 0.00 0.00 -6.01 1.61 6.56 -1.92 -3.44 116.57 113.37 1brn h LYS 62 Ca -0.30 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.69 1brn h LYS 62 Cb 1.03 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.66 1brn h LYS 62 CO 0.41 0.54 -0.43 -0.51 -2.06 0.00 0.00 179.45 177.39 1brn s LEU 63 N -7.13 4.32 -0.07 2.94 1.43 -1.26 -4.96 118.68 113.95 1brn s LEU 63 Ca 0.00 0.35 -0.32 0.00 -1.03 0.00 0.00 54.13 53.13 1brn s LEU 63 Cb 0.11 -3.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 1brn s LEU 63 CO 0.73 0.11 1.97 -2.65 0.23 0.00 0.00 176.35 176.74 1brn n PRO 64 N 0.08 2.36 -4.16 1.29 -0.02 -1.26 -4.95 135.00 128.34 1brn n PRO 64 Ca -0.04 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 1brn n PRO 64 Cb 0.52 -2.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.09 1brn n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1brn s GLY 65 N 4.79 1.97 -0.12 -1.23 0.00 -1.26 -5.09 107.32 106.39 1brn s GLY 65 Ca 0.93 -0.89 -0.24 0.00 0.00 0.00 0.00 44.72 44.52 1brn s GLY 65 CO 0.47 -0.76 0.59 -1.59 0.00 0.00 0.00 173.10 171.80 1brn s LYS 66 N -1.65 0.84 0.13 2.90 -2.85 -1.26 -5.08 119.74 112.78 1brn s LYS 66 Ca 0.21 0.43 -0.34 0.00 -1.00 0.00 0.00 55.97 55.27 1brn s LYS 66 Cb -0.12 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 35.91 1brn s LYS 66 CO 0.12 -0.20 1.58 0.45 0.10 0.00 0.00 175.35 177.40 1brn n SER 67 N 1.76 2.99 0.00 0.03 2.88 -1.26 -1.02 113.62 118.99 1brn n SER 67 Ca -0.17 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1brn n SER 67 Cb 0.56 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1brn n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1brn n GLY 68 N 3.41 3.21 3.73 0.46 0.00 -1.26 -5.03 105.19 109.71 1brn n GLY 68 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1brn n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brn s ARG 69 N -0.50 4.51 0.04 1.61 3.52 -0.19 -4.96 118.95 122.98 1brn s ARG 69 Ca 0.00 1.11 0.08 0.00 -0.13 0.00 0.00 55.73 56.79 1brn s ARG 69 Cb 0.00 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1brn s ARG 69 CO 0.00 0.19 -0.21 0.95 -0.81 0.00 0.00 175.30 175.42 1brn s THR 70 N 0.26 2.53 -0.02 4.11 -4.23 -1.26 -4.74 115.64 112.29 1brn s THR 70 Ca 0.41 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1brn s THR 70 Cb -0.20 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1brn s THR 70 CO 0.23 0.35 -0.13 0.26 -0.54 0.00 0.00 174.62 174.80 1brn s TRP 71 N -0.87 2.73 0.16 3.99 0.52 -1.26 -0.55 118.94 123.66 1brn s TRP 71 Ca 0.13 -0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1brn s TRP 71 Cb -0.10 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1brn s TRP 71 CO 0.04 0.25 -0.15 1.03 0.02 0.00 0.00 176.95 178.15 1brn s ARG 72 N -1.04 1.17 0.12 4.98 0.52 0.33 -0.04 118.95 124.98 1brn s ARG 72 Ca 0.13 -1.40 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1brn s ARG 72 Cb -0.11 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 1brn s ARG 72 CO 0.03 0.19 -0.10 -1.83 0.02 0.00 0.00 175.30 173.61 1brn s GLU 73 N -3.09 0.96 -0.03 3.54 4.04 -0.46 -1.06 118.70 122.60 1brn s GLU 73 Ca 0.15 -1.33 -0.10 0.00 0.04 0.00 0.00 54.97 53.72 1brn s GLU 73 Cb -0.03 -0.55 0.01 0.00 0.02 0.00 0.00 34.13 33.58 1brn s GLU 73 CO 0.05 0.07 0.23 0.00 -1.84 0.00 0.00 175.26 173.76 1brn s ALA 74 N -3.03 -0.57 0.32 -0.84 0.00 -0.55 -0.73 121.76 116.37 1brn s ALA 74 Ca 0.12 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 1brn s ALA 74 Cb 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 1brn s ALA 74 CO -0.00 -0.21 1.17 -0.51 0.00 0.00 0.00 175.76 176.21 1brn s ASP 75 N -0.99 6.97 0.07 0.00 1.11 -0.09 -0.96 116.67 122.78 1brn s ASP 75 Ca -0.11 2.39 0.09 0.00 0.18 0.00 0.00 52.55 55.10 1brn s ASP 75 Cb -0.05 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.28 1brn s ASP 75 CO 0.02 -0.36 -0.24 -0.63 1.18 0.00 0.00 175.17 175.14 1brn s ILE 76 N -1.22 1.94 -2.02 0.77 -1.09 -0.89 -4.75 121.20 113.94 1brn s ILE 76 Ca 0.49 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1brn s ILE 76 Cb -0.34 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1brn s ILE 76 CO 0.43 0.21 0.00 0.59 -1.23 0.00 0.00 174.94 174.94 1brn n ASN 77 N 1.56 -5.47 -4.74 3.58 3.02 0.32 -4.57 115.26 108.95 1brn n ASN 77 Ca -0.18 0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 1brn n ASN 77 Cb 0.53 -4.68 -0.05 0.00 -0.61 0.00 0.00 39.78 34.97 1brn n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brn s TYR 78 N -2.80 3.76 0.04 3.10 5.04 -1.26 -4.92 117.35 120.30 1brn s TYR 78 Ca 0.00 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1brn s TYR 78 Cb 0.00 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.44 1brn s TYR 78 CO 0.00 0.27 0.00 0.25 -1.34 0.00 0.00 175.55 174.73 1brn n THR 79 N 2.75 0.20 -3.74 4.34 -2.24 -1.26 -4.95 114.28 109.37 1brn n THR 79 Ca -0.02 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1brn n THR 79 Cb 0.50 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 1brn n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brn s SER 80 N -5.16 -0.27 0.00 3.42 1.04 -1.26 -4.78 113.70 106.69 1brn s SER 80 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1brn s SER 80 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1brn s SER 80 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1brn n GLY 81 N -0.44 -1.13 3.78 7.32 0.00 -1.26 -4.88 105.19 108.58 1brn n GLY 81 Ca -0.07 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1brn n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brn s PHE 82 N 0.00 2.75 0.46 1.61 0.08 -1.26 -4.58 117.98 117.05 1brn s PHE 82 Ca 0.00 1.54 -0.22 0.00 0.12 0.00 0.00 56.93 58.37 1brn s PHE 82 Cb 0.00 -3.14 -0.07 0.00 -0.57 0.00 0.00 43.02 39.23 1brn s PHE 82 CO 0.00 -1.46 1.13 1.03 -0.10 0.00 0.00 175.22 175.83 1brn s ARG 83 N -3.87 3.76 0.00 0.44 0.52 -1.26 -5.03 118.95 113.52 1brn s ARG 83 Ca 0.67 1.68 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1brn s ARG 83 Cb -0.20 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1brn s ARG 83 CO 0.36 -0.52 0.00 0.27 0.02 0.00 0.00 175.30 175.42 1brn n ASN 84 N -0.58 0.00 -0.82 0.23 0.23 -1.26 -5.04 115.26 108.03 1brn n ASN 84 Ca 0.08 -0.44 0.09 0.00 -0.53 0.00 0.00 54.58 53.79 1brn n ASN 84 Cb 0.49 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.31 1brn n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brn n SER 85 N -1.31 2.77 -4.67 0.53 3.41 -1.26 -4.94 113.62 108.15 1brn n SER 85 Ca 0.00 -1.83 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 1brn n SER 85 Cb 0.00 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1brn n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brn s ASP 86 N -1.45 6.71 -0.01 4.04 1.01 -1.26 -1.37 116.67 124.34 1brn s ASP 86 Ca 0.25 0.87 -0.07 0.00 0.71 0.00 0.00 52.55 54.31 1brn s ASP 86 Cb 0.17 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1brn s ASP 86 CO 0.24 -0.23 0.14 -0.13 0.21 0.00 0.00 175.17 175.40 1brn s ARG 87 N 1.66 0.40 -0.09 8.23 1.81 -0.62 -2.09 118.95 128.25 1brn s ARG 87 Ca 0.29 -0.23 -0.02 0.00 -1.72 0.00 0.00 55.73 54.04 1brn s ARG 87 Cb -0.16 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1brn s ARG 87 CO 0.11 -0.09 0.01 -1.50 -0.68 0.00 0.00 175.30 173.16 1brn s ILE 88 N -0.98 4.40 -0.11 1.52 2.07 -0.14 -1.58 121.20 126.38 1brn s ILE 88 Ca -0.11 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.95 1brn s ILE 88 Cb -0.06 -2.86 -0.01 0.00 0.13 0.00 0.00 42.46 39.66 1brn s ILE 88 CO 0.01 0.60 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.68 1brn s LEU 89 N -0.85 2.32 -0.00 8.50 2.01 0.14 -1.49 118.68 129.30 1brn s LEU 89 Ca 0.13 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.81 1brn s LEU 89 Cb -0.11 -1.48 0.00 0.00 0.01 0.00 0.00 46.19 44.61 1brn s LEU 89 CO 0.02 0.17 -0.01 -0.72 1.01 0.00 0.00 176.35 176.82 1brn s TYR 90 N 0.27 0.14 0.42 0.29 1.13 -0.22 -0.51 117.35 118.87 1brn s TYR 90 Ca -0.14 -0.02 0.05 0.00 -1.41 0.00 0.00 57.07 55.55 1brn s TYR 90 Cb -0.17 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 1brn s TYR 90 CO 0.07 -0.01 0.59 -1.54 -2.51 0.00 0.00 175.55 172.15 1brn s SER 91 N 0.05 5.74 0.62 -0.18 1.04 -0.60 -0.52 113.70 119.86 1brn s SER 91 Ca -0.00 -0.12 0.39 0.00 0.48 0.00 0.00 55.95 56.70 1brn s SER 91 Cb -0.02 -1.08 2.02 0.00 0.10 0.00 0.00 66.02 67.04 1brn s SER 91 CO -0.00 -0.69 2.24 0.77 0.98 0.00 0.00 173.24 176.53 1brn h SER 92 N 0.59 0.00 -0.49 7.02 4.64 -1.17 -1.19 113.55 122.95 1brn h SER 92 Ca -0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 1brn h SER 92 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 1brn h SER 92 CO 0.52 0.01 0.10 -0.90 -0.87 0.00 0.00 176.83 175.69 1brn n ASP 93 N -3.20 3.92 -3.72 4.97 5.75 -1.26 -4.97 116.55 118.04 1brn n ASP 93 Ca -0.02 -3.30 -0.26 0.00 -0.01 0.00 0.00 54.79 51.20 1brn n ASP 93 Cb 0.15 -0.65 0.06 0.00 -1.03 0.00 0.00 41.12 39.65 1brn n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brn n TRP 94 N -0.54 -2.59 -3.00 2.11 7.02 -0.45 -5.01 117.44 114.98 1brn n TRP 94 Ca 0.33 0.96 -0.40 0.00 -1.02 0.00 0.00 57.50 57.38 1brn n TRP 94 Cb 1.14 -4.60 -0.05 0.00 -2.42 0.00 0.00 31.31 25.37 1brn n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brn s LEU 95 N -7.23 4.50 -0.15 -0.99 1.43 -1.26 -4.86 118.68 110.11 1brn s LEU 95 Ca 0.57 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1brn s LEU 95 Cb -0.27 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.75 1brn s LEU 95 CO 0.77 0.09 -0.12 -0.63 0.23 0.00 0.00 176.35 176.69 1brn s ILE 96 N -0.44 1.49 0.25 -0.59 1.01 -0.85 -1.56 121.20 120.51 1brn s ILE 96 Ca 0.37 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1brn s ILE 96 Cb -0.21 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1brn s ILE 96 CO 0.24 0.40 -0.16 -0.31 0.00 0.00 0.00 174.94 175.10 1brn s TYR 97 N 1.51 1.99 0.14 3.97 1.51 0.33 -0.64 117.35 126.17 1brn s TYR 97 Ca 0.04 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.70 1brn s TYR 97 Cb -0.13 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1brn s TYR 97 CO -0.10 0.52 -0.16 -1.59 -1.11 0.00 0.00 175.55 173.11 1brn s LYS 98 N -3.59 1.13 -0.01 -0.62 -2.85 0.83 0.26 119.74 114.88 1brn s LYS 98 Ca 0.26 -1.31 -0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1brn s LYS 98 Cb -0.02 -1.08 0.00 0.00 -2.06 0.00 0.00 37.83 34.67 1brn s LYS 98 CO 0.11 0.21 0.04 -0.08 0.10 0.00 0.00 175.35 175.73 1brn s THR 99 N -2.11 -0.00 -0.02 3.79 -1.32 -0.62 -1.32 115.64 114.04 1brn s THR 99 Ca 0.12 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1brn s THR 99 Cb -0.05 -0.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1brn s THR 99 CO 0.04 0.00 0.75 0.35 -2.21 0.00 0.00 174.62 173.56 1brn n THR 100 N 3.10 0.49 -2.10 5.08 -2.24 -1.26 -1.59 114.28 115.76 1brn n THR 100 Ca -0.13 -0.75 -0.05 0.00 -2.27 0.00 0.00 64.05 60.86 1brn n THR 100 Cb 0.59 0.76 0.09 0.00 -2.10 0.00 0.00 70.33 69.67 1brn n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brn n ASP 101 N -0.23 2.62 -3.60 3.42 5.68 -1.22 -4.52 116.55 118.70 1brn n ASP 101 Ca 0.00 -3.21 -0.24 0.00 -0.50 0.00 0.00 54.79 50.84 1brn n ASP 101 Cb 0.13 -0.42 0.04 0.00 -1.14 0.00 0.00 41.12 39.73 1brn n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1brn n HIS 102 N -0.62 -2.03 -1.22 2.11 -0.00 -0.47 -3.15 115.22 109.85 1brn n HIS 102 Ca 0.23 0.68 -0.07 0.00 -0.00 0.00 0.00 57.72 58.56 1brn n HIS 102 Cb 0.88 -3.93 -0.03 0.00 -0.00 0.00 0.00 29.99 26.91 1brn n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1brn n TYR 103 N -4.00 0.00 0.05 1.57 4.01 -1.26 -4.92 117.16 112.60 1brn n TYR 103 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 1brn n TYR 103 Cb 0.63 -1.65 -0.15 0.00 -0.31 0.00 0.00 39.34 37.87 1brn n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brn h GLN 104 N 0.11 0.35 -5.22 -0.72 1.08 -1.96 -3.47 115.11 105.28 1brn h GLN 104 Ca -0.15 -0.60 -0.38 0.00 -1.45 0.00 0.00 58.65 56.07 1brn h GLN 104 Cb 0.58 0.22 -0.20 0.00 -0.05 0.00 0.00 27.48 28.02 1brn h GLN 104 CO 0.22 1.29 -0.76 0.95 -0.95 0.00 0.00 178.83 179.58 1brn s THR 105 N -2.56 1.06 0.06 -0.54 -4.23 -1.26 -5.09 115.64 103.08 1brn s THR 105 Ca -0.18 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1brn s THR 105 Cb 0.06 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1brn s THR 105 CO 0.82 -0.32 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.13 1brn s PHE 106 N -1.58 0.89 -0.05 3.99 0.08 -1.26 -4.43 117.98 115.61 1brn s PHE 106 Ca -0.00 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.55 1brn s PHE 106 Cb -0.08 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1brn s PHE 106 CO 0.02 -0.03 -0.11 0.99 -0.10 0.00 0.00 175.22 175.98 1brn s THR 107 N -1.56 1.01 0.12 0.64 2.01 -0.43 -4.96 115.64 112.47 1brn s THR 107 Ca -0.05 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1brn s THR 107 Cb -0.09 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1brn s THR 107 CO 0.01 0.32 1.00 -0.75 -0.69 0.00 0.00 174.62 174.50 1brn s LYS 108 N 0.52 4.66 -0.14 4.92 2.20 -1.26 -0.12 119.74 130.52 1brn s LYS 108 Ca -0.10 1.51 0.09 0.00 -0.36 0.00 0.00 55.97 57.10 1brn s LYS 108 Cb -0.14 -3.36 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 1brn s LYS 108 CO 0.02 0.16 -0.01 -0.89 -0.36 0.00 0.00 175.35 174.28 1brn n ILE 109 N 2.81 0.91 -1.11 5.43 5.41 0.19 -4.92 119.36 128.08 1brn n ILE 109 Ca 0.03 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1brn n ILE 109 Cb 0.49 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 1brn n ILE 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09