#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brk s ILE 4 N 0.00 4.43 -0.04 0.00 1.01 -1.26 -4.89 121.20 120.45 1brk s ILE 4 Ca 0.00 -1.19 0.15 0.00 0.00 0.00 0.00 60.65 59.61 1brk s ILE 4 Cb 0.00 -3.63 0.29 0.00 0.01 0.00 0.00 42.46 39.13 1brk s ILE 4 CO 0.00 -0.42 1.12 -0.46 0.00 0.00 0.00 174.94 175.18 1brk n ASN 5 N 4.97 0.94 -4.88 3.58 6.94 -1.26 -4.76 115.26 120.78 1brk n ASN 5 Ca -0.11 -2.39 -0.21 0.00 -0.02 0.00 0.00 54.58 51.85 1brk n ASN 5 Cb 0.44 -0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 1brk n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brk s THR 6 N -0.75 4.61 0.14 5.53 -4.23 -1.26 -1.83 115.64 117.84 1brk s THR 6 Ca 0.24 -1.24 -0.20 0.00 -1.18 0.00 0.00 61.69 59.31 1brk s THR 6 Cb 0.26 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1brk s THR 6 CO -0.09 -0.32 1.68 -0.26 -0.54 0.00 0.00 174.62 175.10 1brk h PHE 7 N 1.33 -0.22 -0.23 3.99 0.04 -1.98 0.27 116.94 120.12 1brk h PHE 7 Ca -0.49 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.14 1brk h PHE 7 Cb 1.24 0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.52 1brk h PHE 7 CO 0.51 -0.15 -0.49 -0.44 -0.60 0.00 0.00 178.31 177.14 1brk h ASP 8 N -0.06 0.84 -0.55 2.17 3.32 -1.98 -1.63 116.42 118.52 1brk h ASP 8 Ca 0.12 -0.55 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1brk h ASP 8 Cb 0.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1brk h ASP 8 CO -0.27 1.23 0.20 1.23 -1.72 0.00 0.00 179.24 179.91 1brk h GLY 9 N 0.48 0.91 0.89 2.75 0.00 -1.92 -2.03 103.07 104.14 1brk h GLY 9 Ca 0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1brk h GLY 9 CO 0.11 0.48 -0.34 -2.08 0.00 0.00 0.00 176.54 174.71 1brk h VAL 10 N 0.76 1.34 -0.48 4.60 2.07 -0.49 -2.42 116.25 121.63 1brk h VAL 10 Ca 0.18 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1brk h VAL 10 Cb 0.24 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1brk h VAL 10 CO -0.01 0.48 0.23 0.00 0.02 0.00 0.00 177.57 178.29 1brk h ALA 11 N 0.60 1.49 -0.09 1.67 0.00 -1.28 -1.31 119.26 120.35 1brk h ALA 11 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1brk h ALA 11 Cb 0.93 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1brk h ALA 11 CO 0.08 0.40 -0.86 -0.44 0.00 0.00 0.00 179.25 178.43 1brk h ASP 12 N 0.68 0.85 -0.35 0.00 3.32 -1.38 -2.77 116.42 116.78 1brk h ASP 12 Ca 0.17 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1brk h ASP 12 Cb 0.08 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1brk h ASP 12 CO -0.02 1.39 0.18 0.22 -1.72 0.00 0.00 179.24 179.30 1brk h TYR 13 N 0.45 0.48 -0.30 4.55 5.03 -1.10 -2.82 116.97 123.26 1brk h TYR 13 Ca -0.07 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.27 1brk h TYR 13 Cb 1.49 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.58 1brk h TYR 13 CO 0.08 0.39 0.05 -0.07 -1.32 0.00 0.00 178.16 177.29 1brk h LEU 14 N 0.43 -0.01 -1.63 2.82 3.38 -1.26 0.36 115.31 119.40 1brk h LEU 14 Ca 0.12 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1brk h LEU 14 Cb 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1brk h LEU 14 CO -0.02 0.03 -0.21 1.56 0.09 0.00 0.00 178.44 179.89 1brk h GLN 15 N 0.15 0.00 0.06 1.13 4.20 -1.43 0.17 115.11 119.38 1brk h GLN 15 Ca 0.14 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.50 1brk h GLN 15 Cb 0.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1brk h GLN 15 CO -0.20 0.21 -2.02 2.41 -0.67 0.00 0.00 178.83 178.57 1brk n THR 16 N -4.03 1.64 0.67 -0.54 -1.04 -1.06 -4.62 114.28 105.31 1brk n THR 16 Ca -0.02 -0.48 0.10 0.00 -2.04 0.00 0.00 64.05 61.61 1brk n THR 16 Cb 0.28 -1.74 -0.10 0.00 -1.82 0.00 0.00 70.33 66.95 1brk n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1brk n TYR 17 N -3.71 0.03 -3.41 -1.42 4.01 0.09 -5.00 117.16 107.76 1brk n TYR 17 Ca -0.38 0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.13 1brk n TYR 17 Cb 0.94 -0.20 0.05 0.00 -0.31 0.00 0.00 39.34 39.83 1brk n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brk n HIS 18 N -1.77 -2.40 -3.57 -0.72 8.25 0.58 -4.97 115.22 110.63 1brk n HIS 18 Ca 0.02 0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 58.17 1brk n HIS 18 Cb 0.41 -4.56 -0.02 0.00 1.12 0.00 0.00 29.99 26.94 1brk n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brk s LYS 19 N -6.11 1.13 0.48 -0.41 0.00 -1.26 -5.05 119.74 108.53 1brk s LYS 19 Ca 0.48 -0.50 -0.19 0.00 0.00 0.00 0.00 55.97 55.76 1brk s LYS 19 Cb -0.22 0.47 -0.09 0.00 0.00 0.00 0.00 37.83 37.99 1brk s LYS 19 CO 0.59 -0.51 1.00 -0.51 0.00 0.00 0.00 175.35 175.92 1brk s LEU 20 N -2.70 3.80 0.80 2.77 1.43 -1.26 -4.03 118.68 119.49 1brk s LEU 20 Ca 0.06 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 54.77 1brk s LEU 20 Cb -0.02 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.70 1brk s LEU 20 CO -0.06 -0.62 0.92 -2.65 0.23 0.00 0.00 176.35 174.16 1brk n PRO 21 N -1.07 0.18 0.00 1.29 -0.02 -1.26 -4.87 135.00 129.25 1brk n PRO 21 Ca 0.08 0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 1brk n PRO 21 Cb 0.53 -2.20 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 1brk n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1brk n ASP 22 N -2.16 0.00 -1.15 2.55 8.00 -1.26 -2.82 116.55 119.71 1brk n ASP 22 Ca 0.12 0.11 0.05 0.00 0.71 0.00 0.00 54.79 55.77 1brk n ASP 22 Cb 0.51 -0.20 0.22 0.00 -0.02 0.00 0.00 41.12 41.63 1brk n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brk n ASN 23 N -1.20 3.30 -4.63 -2.24 6.94 -1.26 -4.86 115.26 111.31 1brk n ASN 23 Ca 0.03 -2.38 -0.34 0.00 -0.02 0.00 0.00 54.58 51.87 1brk n ASN 23 Cb 0.03 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 36.83 1brk n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brk s TYR 24 N -1.84 3.01 0.01 -2.53 2.02 -1.13 -0.04 117.35 116.84 1brk s TYR 24 Ca 0.30 0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 57.05 1brk s TYR 24 Cb 0.21 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1brk s TYR 24 CO 0.12 0.40 0.03 0.96 -1.57 0.00 0.00 175.55 175.48 1brk s ILE 25 N -0.91 0.08 0.89 2.71 -4.36 -0.42 -4.91 121.20 114.28 1brk s ILE 25 Ca 0.15 -0.70 -0.13 0.00 -0.26 0.00 0.00 60.65 59.71 1brk s ILE 25 Cb -0.11 -0.27 0.13 0.00 1.25 0.00 0.00 42.46 43.46 1brk s ILE 25 CO 0.04 -0.38 1.19 0.42 0.24 0.00 0.00 174.94 176.45 1brk s THR 26 N -1.19 1.98 0.31 8.37 -4.23 -1.18 -0.92 115.64 118.78 1brk s THR 26 Ca -0.13 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1brk s THR 26 Cb -0.08 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1brk s THR 26 CO -0.00 0.00 1.89 0.11 -0.54 0.00 0.00 174.62 176.08 1brk h LYS 27 N -1.40 0.93 -0.29 3.99 1.57 -1.96 -0.93 116.57 118.48 1brk h LYS 27 Ca -0.47 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1brk h LYS 27 Cb 1.31 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1brk h LYS 27 CO 0.58 0.61 0.08 0.77 -0.57 0.00 0.00 179.45 180.92 1brk h SER 28 N 0.96 0.43 -0.21 0.86 0.02 -1.99 0.26 113.55 113.87 1brk h SER 28 Ca 0.41 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1brk h SER 28 Cb 0.33 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1brk h SER 28 CO -0.17 0.53 0.10 -0.33 -1.14 0.00 0.00 176.83 175.82 1brk h GLU 29 N 0.30 0.31 0.16 3.45 5.08 -1.81 -2.36 114.58 119.70 1brk h GLU 29 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1brk h GLU 29 Cb 0.27 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1brk h GLU 29 CO -0.00 0.32 -0.09 0.00 -1.00 0.00 0.00 179.01 178.24 1brk h ALA 30 N 0.97 -0.23 -0.88 3.43 0.00 -1.06 -2.80 119.26 118.69 1brk h ALA 30 Ca 0.07 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1brk h ALA 30 Cb 0.11 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1brk h ALA 30 CO -0.01 -0.63 0.57 1.96 0.00 0.00 0.00 179.25 181.14 1brk h GLN 31 N -0.24 0.68 0.00 0.00 4.20 -0.83 0.22 115.11 119.15 1brk h GLN 31 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1brk h GLN 31 Cb 0.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1brk h GLN 31 CO 0.02 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1brk h ALA 32 N 1.60 1.00 -0.01 3.87 0.00 -1.16 -0.41 119.26 124.15 1brk h ALA 32 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1brk h ALA 32 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1brk h ALA 32 CO -0.20 0.00 -0.37 1.28 0.00 0.00 0.00 179.25 179.96 1brk n LEU 33 N -2.89 1.81 0.00 0.00 4.77 0.04 -4.95 117.00 115.77 1brk n LEU 33 Ca -0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1brk n LEU 33 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1brk n LEU 33 CO 0.21 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1brk n GLY 34 N 1.39 1.32 3.70 -0.72 0.00 -0.16 -4.97 105.19 105.75 1brk n GLY 34 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1brk n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brk s TRP 35 N -2.00 3.54 -0.36 1.61 -0.00 -1.06 -4.92 118.94 115.76 1brk s TRP 35 Ca 0.00 1.58 -0.01 0.00 -0.00 0.00 0.00 56.10 57.67 1brk s TRP 35 Cb 0.00 -3.20 0.09 0.00 -0.00 0.00 0.00 33.47 30.35 1brk s TRP 35 CO 0.00 -0.33 0.10 0.08 -0.00 0.00 0.00 176.95 176.80 1brk s VAL 36 N 1.48 2.97 0.22 5.86 1.01 -1.26 -4.49 120.40 126.18 1brk s VAL 36 Ca 0.52 -1.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1brk s VAL 36 Cb -0.21 -2.94 0.17 0.00 0.00 0.00 0.00 36.38 33.40 1brk s VAL 36 CO 0.24 -0.46 1.72 0.00 0.00 0.00 0.00 175.10 176.60 1brk h ALA 37 N 7.94 0.83 0.00 5.51 0.00 -1.99 -1.95 119.26 129.60 1brk h ALA 37 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1brk h ALA 37 Cb 1.05 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1brk h ALA 37 CO 0.60 -0.25 0.00 0.77 0.00 0.00 0.00 179.25 180.37 1brk h SER 38 N 0.35 0.00 0.00 0.00 0.02 -2.03 -1.87 113.55 110.02 1brk h SER 38 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1brk h SER 38 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1brk h SER 38 CO -0.38 0.00 -1.00 0.29 -1.14 0.00 0.00 176.83 174.60 1brk n LYS 39 N -2.29 1.37 -3.30 3.45 4.76 -0.76 -5.01 118.16 116.38 1brk n LYS 39 Ca -0.01 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.16 1brk n LYS 39 Cb 0.07 -1.30 0.05 0.00 -1.84 0.00 0.00 35.03 32.01 1brk n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1brk n GLY 40 N 1.42 -0.53 1.32 0.72 0.00 -0.71 -4.89 105.19 102.53 1brk n GLY 40 Ca 0.02 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1brk n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brk n ASN 41 N -2.74 4.69 -0.23 1.61 6.94 -1.24 -3.61 115.26 120.66 1brk n ASN 41 Ca -0.06 -2.98 0.03 0.00 -0.02 0.00 0.00 54.58 51.56 1brk n ASN 41 Cb 0.59 -0.60 0.15 0.00 -2.36 0.00 0.00 39.78 37.56 1brk n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brk h LEU 42 N 2.76 0.21 -1.88 -4.53 5.85 -1.86 0.13 115.31 115.99 1brk h LEU 42 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1brk h LEU 42 Cb 1.67 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1brk h LEU 42 CO 0.34 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 1brk h ALA 43 N 1.50 1.00 0.06 1.25 0.00 -1.84 -0.12 119.26 121.12 1brk h ALA 43 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1brk h ALA 43 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1brk h ALA 43 CO -0.38 0.00 -0.47 -0.44 0.00 0.00 0.00 179.25 177.95 1brk h ASP 44 N 0.00 0.19 0.04 0.00 3.32 -1.14 -3.13 116.42 115.71 1brk h ASP 44 Ca 0.00 -0.94 -0.23 0.00 0.02 0.00 0.00 57.03 55.88 1brk h ASP 44 Cb 0.37 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1brk h ASP 44 CO 0.00 1.22 -0.88 -0.37 -1.72 0.00 0.00 179.24 177.49 1brk h VAL 45 N -0.73 1.31 -2.70 -1.35 -1.51 -1.08 -3.40 116.25 106.79 1brk h VAL 45 Ca -0.10 -2.16 -0.60 0.00 -1.23 0.00 0.00 66.70 62.61 1brk h VAL 45 Cb 1.30 2.19 -0.40 0.00 -2.13 0.00 0.00 31.29 32.25 1brk h VAL 45 CO 0.04 0.67 -0.81 0.00 -1.23 0.00 0.00 177.57 176.24 1brk s ALA 46 N -3.52 2.21 0.17 5.19 0.00 -0.07 -5.05 121.76 120.69 1brk s ALA 46 Ca -0.09 -2.85 -0.33 0.00 0.00 0.00 0.00 51.96 48.69 1brk s ALA 46 Cb 0.08 -1.81 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 1brk s ALA 46 CO 0.89 -2.03 1.57 -2.30 0.00 0.00 0.00 175.76 173.89 1brk n PRO 47 N 2.79 2.19 -0.82 0.00 -0.02 -1.18 -2.51 135.00 135.45 1brk n PRO 47 Ca 0.22 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1brk n PRO 47 Cb 0.41 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1brk n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brk n GLY 48 N 3.30 0.79 3.87 -1.23 0.00 -1.26 -5.04 105.19 105.61 1brk n GLY 48 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1brk n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brk s LYS 49 N -0.18 3.21 0.12 1.61 -0.14 -1.04 -4.77 119.74 118.55 1brk s LYS 49 Ca 0.00 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.11 1brk s LYS 49 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 1brk s LYS 49 CO 0.00 0.57 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.85 1brk s SER 50 N -2.62 2.54 0.13 2.83 0.01 0.94 -4.83 113.70 112.70 1brk s SER 50 Ca 0.33 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 1brk s SER 50 Cb -0.12 -0.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 1brk s SER 50 CO 0.26 0.02 0.93 -0.63 0.41 0.00 0.00 173.24 174.22 1brk s ILE 51 N -1.48 4.43 0.00 1.44 -1.09 -1.26 -1.31 121.20 121.94 1brk s ILE 51 Ca 0.09 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.53 1brk s ILE 51 Cb -0.08 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1brk s ILE 51 CO 0.05 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1brk n GLY 52 N 2.08 0.90 0.00 6.18 0.00 -0.10 -0.57 105.19 113.69 1brk n GLY 52 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1brk n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1brk n GLY 53 N -0.08 0.52 3.83 -0.02 0.00 0.28 -3.11 105.19 106.60 1brk n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1brk n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brk s ASP 54 N -2.22 6.66 0.29 1.61 1.01 -1.22 -4.73 116.67 118.07 1brk s ASP 54 Ca 0.00 1.64 -0.29 0.00 0.71 0.00 0.00 52.55 54.61 1brk s ASP 54 Cb 0.00 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 1brk s ASP 54 CO 0.00 -0.56 1.33 -0.63 0.21 0.00 0.00 175.17 175.52 1brk s ILE 55 N -2.44 2.80 -0.21 0.77 -1.09 -1.26 -1.38 121.20 118.39 1brk s ILE 55 Ca 0.61 0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 59.74 1brk s ILE 55 Cb -0.10 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1brk s ILE 55 CO 0.25 0.15 -0.06 0.12 -1.23 0.00 0.00 174.94 174.18 1brk s PHE 56 N -0.68 2.94 0.34 3.97 5.36 -0.39 -4.86 117.98 124.67 1brk s PHE 56 Ca 0.52 -0.92 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 1brk s PHE 56 Cb -0.40 -2.08 0.62 0.00 -0.34 0.00 0.00 43.02 40.83 1brk s PHE 56 CO 0.48 -0.52 1.86 0.66 -1.46 0.00 0.00 175.22 176.24 1brk h SER 57 N 7.96 0.42 -2.85 6.13 4.64 -1.95 -3.39 113.55 124.52 1brk h SER 57 Ca -0.40 -0.09 -0.35 0.00 -0.47 0.00 0.00 61.79 60.48 1brk h SER 57 Cb 1.16 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1brk h SER 57 CO 0.60 0.54 -0.47 -3.20 -0.87 0.00 0.00 176.83 173.44 1brk n ASN 58 N -4.25 -5.22 -0.23 4.97 5.15 -1.26 -4.90 115.26 109.52 1brk n ASN 58 Ca 0.01 -0.07 0.03 0.00 -0.60 0.00 0.00 54.58 53.94 1brk n ASN 58 Cb 0.28 -4.24 0.15 0.00 -0.53 0.00 0.00 39.78 35.43 1brk n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brk h ARG 59 N -0.30 0.31 0.00 1.20 -0.00 -2.01 -0.32 114.38 113.27 1brk h ARG 59 Ca -0.43 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1brk h ARG 59 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1brk h ARG 59 CO 0.49 0.21 0.00 0.39 0.00 0.00 0.00 179.97 181.06 1brk n GLU 60 N -5.09 0.03 -2.74 0.04 1.02 -1.26 -4.92 120.64 107.71 1brk n GLU 60 Ca 0.11 0.21 -0.20 0.00 -0.02 0.00 0.00 57.16 57.27 1brk n GLU 60 Cb 0.37 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1brk n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brk n GLY 61 N 0.13 -0.40 0.12 0.62 0.00 -0.13 -4.92 105.19 100.60 1brk n GLY 61 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1brk n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brk h LYS 62 N -0.83 0.00 -6.17 1.61 1.57 -1.92 -3.45 116.57 107.38 1brk h LYS 62 Ca -0.47 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 1brk h LYS 62 Cb 1.33 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 1brk h LYS 62 CO 0.52 0.00 -0.63 -0.51 -0.57 0.00 0.00 179.45 178.26 1brk s LEU 63 N -4.77 3.62 0.16 2.94 1.43 -1.26 -4.96 118.68 115.84 1brk s LEU 63 Ca 0.09 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 1brk s LEU 63 Cb 0.11 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1brk s LEU 63 CO 0.64 0.24 1.42 -2.16 0.23 0.00 0.00 176.35 176.72 1brk s PRO 64 N -1.90 4.30 0.46 1.29 0.04 -1.26 -5.02 135.00 132.91 1brk s PRO 64 Ca 0.23 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 1brk s PRO 64 Cb -0.12 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1brk s PRO 64 CO 0.15 -0.44 0.75 0.20 0.04 0.00 0.00 177.00 177.69 1brk s GLY 65 N 0.89 1.47 -0.18 0.56 0.00 -1.26 -5.08 107.32 103.72 1brk s GLY 65 Ca 0.64 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 1brk s GLY 65 CO 0.34 -0.45 1.11 1.25 0.00 0.00 0.00 173.10 175.35 1brk s LYS 66 N -4.67 0.44 -0.09 2.90 2.20 -1.26 -5.06 119.74 114.19 1brk s LYS 66 Ca 0.46 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1brk s LYS 66 Cb -0.10 0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 1brk s LYS 66 CO 0.43 -0.15 2.06 -1.13 -0.36 0.00 0.00 175.35 176.20 1brk n SER 67 N 0.48 3.65 -0.41 1.43 3.41 -1.26 -1.88 113.62 119.04 1brk n SER 67 Ca -0.06 0.65 -0.05 0.00 -0.26 0.00 0.00 58.87 59.15 1brk n SER 67 Cb 0.59 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.01 1brk n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brk n GLY 68 N 5.05 0.78 3.67 5.00 0.00 -1.26 -5.01 105.19 113.42 1brk n GLY 68 Ca 0.25 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1brk n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brk s ARG 69 N -2.14 4.16 0.20 1.61 3.52 -0.79 -4.95 118.95 120.57 1brk s ARG 69 Ca 0.00 0.11 0.08 0.00 -0.13 0.00 0.00 55.73 55.79 1brk s ARG 69 Cb 0.00 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1brk s ARG 69 CO 0.00 -0.00 -0.03 0.95 -0.81 0.00 0.00 175.30 175.41 1brk s THR 70 N 1.22 3.49 0.05 4.11 -4.23 -1.26 -4.74 115.64 114.27 1brk s THR 70 Ca 0.17 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1brk s THR 70 Cb -0.14 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1brk s THR 70 CO 0.07 -0.18 -0.23 0.26 -0.54 0.00 0.00 174.62 174.00 1brk s TRP 71 N -1.88 2.41 0.09 3.99 0.52 -1.26 -1.54 118.94 121.27 1brk s TRP 71 Ca 0.28 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.07 1brk s TRP 71 Cb -0.08 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 1brk s TRP 71 CO 0.18 0.19 -0.09 1.03 0.02 0.00 0.00 176.95 178.28 1brk s ARG 72 N -1.37 0.81 0.25 4.98 0.52 0.87 -1.26 118.95 123.75 1brk s ARG 72 Ca 0.13 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.23 1brk s ARG 72 Cb -0.10 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 1brk s ARG 72 CO 0.04 0.04 -0.08 -1.83 0.02 0.00 0.00 175.30 173.49 1brk s GLU 73 N -3.02 1.44 -0.15 3.54 -1.05 -0.48 -0.15 118.70 118.83 1brk s GLU 73 Ca 0.06 -1.70 -0.19 0.00 -0.15 0.00 0.00 54.97 52.99 1brk s GLU 73 Cb -0.01 -1.05 0.05 0.00 -0.44 0.00 0.00 34.13 32.68 1brk s GLU 73 CO -0.01 0.06 0.51 0.00 0.95 0.00 0.00 175.26 176.77 1brk s ALA 74 N -3.07 -1.28 0.35 -0.84 0.00 -0.80 -0.56 121.76 115.55 1brk s ALA 74 Ca 0.27 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 1brk s ALA 74 Cb 0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1brk s ALA 74 CO 0.10 -0.26 1.18 -0.51 0.00 0.00 0.00 175.76 176.26 1brk s ASP 75 N -0.12 6.81 0.07 0.00 1.11 0.27 -1.12 116.67 123.68 1brk s ASP 75 Ca -0.03 2.40 0.07 0.00 0.18 0.00 0.00 52.55 55.17 1brk s ASP 75 Cb -0.03 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1brk s ASP 75 CO 0.02 -0.48 -0.20 -0.63 1.18 0.00 0.00 175.17 175.06 1brk s ILE 76 N -1.28 1.64 -2.05 0.77 -1.09 -0.86 -4.72 121.20 113.61 1brk s ILE 76 Ca 0.51 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1brk s ILE 76 Cb -0.33 -1.46 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 1brk s ILE 76 CO 0.42 0.08 0.00 0.59 -1.23 0.00 0.00 174.94 174.80 1brk n ASN 77 N 1.53 -5.71 -4.78 3.58 3.02 -0.76 -4.54 115.26 107.60 1brk n ASN 77 Ca -0.18 0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 1brk n ASN 77 Cb 0.53 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 1brk n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brk s TYR 78 N -2.89 3.80 0.00 3.10 5.04 -1.26 -4.92 117.35 120.22 1brk s TYR 78 Ca 0.00 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1brk s TYR 78 Cb 0.00 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.69 1brk s TYR 78 CO 0.00 0.48 0.00 0.25 -1.34 0.00 0.00 175.55 174.94 1brk n THR 79 N 2.03 0.00 -3.67 4.34 -2.24 -1.26 -4.94 114.28 108.54 1brk n THR 79 Ca -0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1brk n THR 79 Cb 0.50 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.59 1brk n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brk s SER 80 N -4.99 -0.37 0.00 3.42 1.04 -1.26 -4.73 113.70 106.81 1brk s SER 80 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1brk s SER 80 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1brk s SER 80 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1brk n GLY 81 N -0.42 -1.75 3.77 7.32 0.00 -1.24 -4.88 105.19 107.99 1brk n GLY 81 Ca -0.09 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1brk n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brk s PHE 82 N 0.00 2.65 0.55 1.61 0.08 -1.26 -4.43 117.98 117.18 1brk s PHE 82 Ca 0.00 1.52 -0.21 0.00 0.12 0.00 0.00 56.93 58.36 1brk s PHE 82 Cb 0.00 -3.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.01 1brk s PHE 82 CO 0.00 -1.78 1.24 0.54 -0.10 0.00 0.00 175.22 175.12 1brk n ARG 83 N -1.10 1.47 -0.04 0.44 1.74 -1.26 -5.00 116.66 112.91 1brk n ARG 83 Ca 0.11 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1brk n ARG 83 Cb 0.49 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 1brk n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1brk n ASN 84 N -0.81 0.00 -0.97 0.55 0.23 -1.26 -5.02 115.26 107.98 1brk n ASN 84 Ca 0.11 -0.08 0.09 0.00 -0.53 0.00 0.00 54.58 54.18 1brk n ASN 84 Cb 0.45 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.34 1brk n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brk n SER 85 N -0.24 3.21 -4.70 0.53 3.41 -1.26 -4.92 113.62 109.65 1brk n SER 85 Ca 0.00 -1.92 -0.39 0.00 -0.26 0.00 0.00 58.87 56.30 1brk n SER 85 Cb 0.00 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1brk n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brk s ASP 86 N -1.22 6.72 -0.02 4.04 1.01 -1.26 -1.98 116.67 123.97 1brk s ASP 86 Ca 0.33 0.86 -0.06 0.00 0.71 0.00 0.00 52.55 54.40 1brk s ASP 86 Cb 0.19 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1brk s ASP 86 CO 0.26 -0.09 0.12 -0.13 0.21 0.00 0.00 175.17 175.54 1brk s ARG 87 N 1.02 0.34 -0.19 8.23 1.81 -0.60 -2.03 118.95 127.53 1brk s ARG 87 Ca 0.28 -0.18 -0.09 0.00 -1.72 0.00 0.00 55.73 54.03 1brk s ARG 87 Cb -0.16 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 1brk s ARG 87 CO 0.12 -0.07 0.10 -1.50 -0.68 0.00 0.00 175.30 173.27 1brk s ILE 88 N -0.80 5.15 -0.18 1.52 2.07 -0.28 -1.30 121.20 127.38 1brk s ILE 88 Ca -0.09 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.20 1brk s ILE 88 Cb -0.05 -3.33 -0.03 0.00 0.13 0.00 0.00 42.46 39.18 1brk s ILE 88 CO 0.01 0.46 0.00 -0.76 -1.91 0.00 0.00 174.94 172.74 1brk s LEU 89 N 0.27 3.38 0.01 8.50 2.01 0.68 -1.91 118.68 131.62 1brk s LEU 89 Ca 0.06 -0.11 -0.00 0.00 0.01 0.00 0.00 54.13 54.09 1brk s LEU 89 Cb -0.12 -1.84 -0.01 0.00 0.01 0.00 0.00 46.19 44.23 1brk s LEU 89 CO -0.01 0.12 -0.02 -0.72 1.01 0.00 0.00 176.35 176.74 1brk s TYR 90 N 0.65 0.18 0.29 0.29 1.13 0.79 -1.16 117.35 119.52 1brk s TYR 90 Ca -0.00 -0.37 0.07 0.00 -1.41 0.00 0.00 57.07 55.36 1brk s TYR 90 Cb -0.14 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.56 1brk s TYR 90 CO 0.02 -0.14 0.29 -1.54 -2.51 0.00 0.00 175.55 171.66 1brk s SER 91 N -1.07 5.60 0.64 -0.18 1.04 -0.78 -0.09 113.70 118.87 1brk s SER 91 Ca -0.12 -0.29 0.38 0.00 0.48 0.00 0.00 55.95 56.40 1brk s SER 91 Cb -0.07 -1.29 2.12 0.00 0.10 0.00 0.00 66.02 66.88 1brk s SER 91 CO -0.01 -0.21 2.27 0.77 0.98 0.00 0.00 173.24 177.05 1brk h SER 92 N 1.29 0.00 -0.52 7.02 4.64 -1.63 0.48 113.55 124.83 1brk h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1brk h SER 92 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1brk h SER 92 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 1brk n ASP 93 N -3.34 4.98 -3.31 4.97 5.75 -1.26 -4.98 116.55 119.36 1brk n ASP 93 Ca -0.02 -2.78 -0.21 0.00 -0.01 0.00 0.00 54.79 51.76 1brk n ASP 93 Cb 0.13 -0.61 0.07 0.00 -1.03 0.00 0.00 41.12 39.69 1brk n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brk n TRP 94 N 0.52 -2.57 -3.33 2.11 7.02 0.16 -5.04 117.44 116.30 1brk n TRP 94 Ca 0.25 0.92 -0.33 0.00 -1.02 0.00 0.00 57.50 57.32 1brk n TRP 94 Cb 1.02 -4.69 -0.06 0.00 -2.42 0.00 0.00 31.31 25.16 1brk n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brk s LEU 95 N -6.67 4.20 -0.01 -0.99 1.43 -1.26 -4.89 118.68 110.49 1brk s LEU 95 Ca 0.49 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1brk s LEU 95 Cb -0.21 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1brk s LEU 95 CO 0.66 -0.05 -0.04 0.00 0.23 0.00 0.00 176.35 177.15 1brk s ALA 96 N -1.75 0.38 0.11 4.21 0.00 -0.76 -1.86 121.76 122.09 1brk s ALA 96 Ca 0.46 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1brk s ALA 96 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1brk s ALA 96 CO 0.20 0.06 -0.13 0.71 0.00 0.00 0.00 175.76 176.60 1brk s TYR 97 N 0.11 1.26 0.17 0.00 1.51 -0.31 -0.41 117.35 119.69 1brk s TYR 97 Ca -0.01 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.56 1brk s TYR 97 Cb -0.04 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1brk s TYR 97 CO -0.00 0.08 -0.18 -1.59 -1.11 0.00 0.00 175.55 172.75 1brk s LYS 98 N -2.60 1.31 -0.00 -0.62 -2.85 0.84 -0.23 119.74 115.60 1brk s LYS 98 Ca 0.06 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 1brk s LYS 98 Cb -0.05 -1.37 -0.00 0.00 -2.06 0.00 0.00 37.83 34.35 1brk s LYS 98 CO 0.02 0.28 -0.01 -0.08 0.10 0.00 0.00 175.35 175.65 1brk s THR 99 N -2.11 0.10 -0.08 3.79 -1.32 -0.42 -1.80 115.64 113.80 1brk s THR 99 Ca 0.17 -0.05 0.12 0.00 -1.21 0.00 0.00 61.69 60.72 1brk s THR 99 Cb -0.05 -0.10 0.18 0.00 -1.51 0.00 0.00 72.50 71.02 1brk s THR 99 CO 0.07 0.03 1.07 0.35 -2.21 0.00 0.00 174.62 173.93 1brk n THR 100 N 3.08 1.37 -2.71 5.08 -2.24 -1.26 -1.55 114.28 116.05 1brk n THR 100 Ca -0.13 -1.60 -0.06 0.00 -2.27 0.00 0.00 64.05 59.99 1brk n THR 100 Cb 0.59 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1brk n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brk n ASP 101 N -0.99 1.86 -3.52 3.42 5.68 -1.15 -4.56 116.55 117.28 1brk n ASP 101 Ca 0.10 -2.44 -0.19 0.00 -0.50 0.00 0.00 54.79 51.76 1brk n ASP 101 Cb 0.56 -0.49 0.08 0.00 -1.14 0.00 0.00 41.12 40.13 1brk n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1brk n HIS 102 N -0.41 -2.30 -1.43 2.11 8.25 -0.84 -2.74 115.22 117.86 1brk n HIS 102 Ca 0.11 0.94 -0.15 0.00 -0.26 0.00 0.00 57.72 58.36 1brk n HIS 102 Cb 0.81 -4.94 -0.06 0.00 1.12 0.00 0.00 29.99 26.92 1brk n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brk n TYR 103 N -4.35 0.00 0.02 4.41 4.01 -1.26 -4.89 117.16 115.11 1brk n TYR 103 Ca -0.22 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.33 1brk n TYR 103 Cb 0.64 -2.79 -0.11 0.00 -0.31 0.00 0.00 39.34 36.77 1brk n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brk h GLN 104 N 0.02 0.50 -4.57 -0.72 4.20 -1.93 -3.47 115.11 109.15 1brk h GLN 104 Ca -0.31 -0.56 -0.25 0.00 0.06 0.00 0.00 58.65 57.59 1brk h GLN 104 Cb 1.09 0.16 -0.19 0.00 0.30 0.00 0.00 27.48 28.84 1brk h GLN 104 CO 0.45 1.19 -0.72 0.95 -0.67 0.00 0.00 178.83 180.03 1brk s THR 105 N -3.18 0.56 0.08 -0.54 -4.23 -1.26 -5.11 115.64 101.96 1brk s THR 105 Ca -0.12 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1brk s THR 105 Cb 0.04 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.93 1brk s THR 105 CO 0.86 -0.54 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.92 1brk s PHE 106 N -2.07 1.12 -0.08 3.99 0.08 -1.26 -4.40 117.98 115.36 1brk s PHE 106 Ca -0.04 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.48 1brk s PHE 106 Cb -0.05 -0.62 0.02 0.00 -0.57 0.00 0.00 43.02 41.80 1brk s PHE 106 CO -0.01 0.03 -0.08 0.99 -0.10 0.00 0.00 175.22 176.05 1brk s THR 107 N -1.76 0.89 0.09 0.64 2.01 -0.74 -4.95 115.64 111.81 1brk s THR 107 Ca 0.01 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 1brk s THR 107 Cb -0.07 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1brk s THR 107 CO 0.01 0.32 1.38 -0.75 -0.69 0.00 0.00 174.62 174.89 1brk s LYS 108 N 1.16 4.32 -0.00 4.92 2.20 -1.26 -0.11 119.74 130.97 1brk s LYS 108 Ca -0.06 2.03 0.03 0.00 -0.36 0.00 0.00 55.97 57.61 1brk s LYS 108 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1brk s LYS 108 CO -0.02 -0.45 0.12 0.44 -0.36 0.00 0.00 175.35 175.08 1brk n ILE 109 N 4.09 0.00 -1.50 5.43 -5.35 0.46 -4.92 119.36 117.57 1brk n ILE 109 Ca 0.12 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1brk n ILE 109 Cb 0.43 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 1brk n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33