#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bni s ILE 4 N 0.00 4.09 0.00 1.34 1.01 -1.26 -4.78 121.20 121.60 1bni s ILE 4 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1bni s ILE 4 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1bni s ILE 4 CO 0.00 -0.78 0.68 -0.46 0.00 0.00 0.00 174.94 174.38 1bni n ASN 5 N 4.76 0.00 -4.89 3.58 6.94 -1.26 -4.77 115.26 119.62 1bni n ASN 5 Ca -0.06 -1.38 -0.27 0.00 -0.02 0.00 0.00 54.58 52.86 1bni n ASN 5 Cb 0.41 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.71 1bni n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bni s THR 6 N 0.00 5.05 0.18 5.53 -4.23 -1.26 0.13 115.64 121.04 1bni s THR 6 Ca 0.00 -0.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.54 1bni s THR 6 Cb 0.00 -3.58 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1bni s THR 6 CO 0.00 -0.06 1.61 -0.26 -0.54 0.00 0.00 174.62 175.37 1bni h PHE 7 N 2.37 -0.69 -0.39 3.99 0.04 -1.98 0.92 116.94 121.19 1bni h PHE 7 Ca -0.48 0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.27 1bni h PHE 7 Cb 1.19 0.37 -0.01 0.00 2.20 0.00 0.00 35.95 39.70 1bni h PHE 7 CO 0.56 -0.34 -0.06 -0.44 -0.60 0.00 0.00 178.31 177.43 1bni h ASP 8 N -0.16 0.73 -0.02 2.17 3.32 -1.97 0.17 116.42 120.66 1bni h ASP 8 Ca 0.21 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1bni h ASP 8 Cb 0.50 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1bni h ASP 8 CO -0.56 0.90 -0.08 1.23 -1.72 0.00 0.00 179.24 179.02 1bni h GLY 9 N 0.54 -0.07 1.24 2.75 0.00 -1.83 0.30 103.07 106.01 1bni h GLY 9 Ca 0.10 0.09 -0.28 0.00 0.00 0.00 0.00 47.33 47.24 1bni h GLY 9 CO 0.03 -0.09 -1.15 -2.08 0.00 0.00 0.00 176.54 173.26 1bni h VAL 10 N -0.13 1.29 -0.01 4.60 2.07 0.85 -2.85 116.25 122.07 1bni h VAL 10 Ca 0.04 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.20 1bni h VAL 10 Cb 0.18 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1bni h VAL 10 CO -0.09 0.73 -0.05 0.00 0.02 0.00 0.00 177.57 178.17 1bni h ALA 11 N 0.36 -0.05 -1.00 1.67 0.00 -0.54 -1.58 119.26 118.13 1bni h ALA 11 Ca -0.16 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1bni h ALA 11 Cb 1.81 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 1bni h ALA 11 CO 0.22 -0.55 0.64 -0.44 0.00 0.00 0.00 179.25 179.12 1bni h ASP 12 N -0.09 1.01 -0.31 0.00 3.32 -0.46 -2.88 116.42 117.00 1bni h ASP 12 Ca 0.03 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1bni h ASP 12 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1bni h ASP 12 CO -0.06 0.62 -0.38 0.22 -1.72 0.00 0.00 179.24 177.92 1bni h TYR 13 N 1.13 1.02 -0.82 4.55 5.03 -1.24 -1.65 116.97 124.99 1bni h TYR 13 Ca 0.44 -0.30 0.07 0.00 2.58 0.00 0.00 58.73 61.53 1bni h TYR 13 Cb 0.23 -0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.23 1bni h TYR 13 CO -0.00 1.10 0.49 -0.07 -1.32 0.00 0.00 178.16 178.35 1bni h LEU 14 N 0.70 0.74 0.19 2.82 3.38 -1.07 0.28 115.31 122.36 1bni h LEU 14 Ca 0.06 0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.72 1bni h LEU 14 Cb 0.95 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1bni h LEU 14 CO 0.09 0.46 -1.61 1.56 0.09 0.00 0.00 178.44 179.03 1bni h GLN 15 N 0.87 0.39 0.36 1.13 4.20 -1.60 1.29 115.11 121.76 1bni h GLN 15 Ca 0.37 -0.67 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1bni h GLN 15 Cb 0.23 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1bni h GLN 15 CO -0.20 1.30 -0.17 1.15 -0.67 0.00 0.00 178.83 180.24 1bni h THR 16 N 0.11 0.58 0.00 -0.54 2.02 -0.87 -3.37 112.91 110.84 1bni h THR 16 Ca -0.29 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1bni h THR 16 Cb 2.10 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1bni h THR 16 CO 0.20 0.10 -1.37 -1.22 0.37 0.00 0.00 175.52 173.60 1bni n TYR 17 N -5.16 0.20 -1.84 3.16 4.01 0.96 -4.98 117.16 113.50 1bni n TYR 17 Ca -0.10 0.06 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 1bni n TYR 17 Cb 0.28 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.85 1bni n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bni n HIS 18 N -2.07 -0.27 -3.60 -0.72 8.25 0.44 -4.99 115.22 112.27 1bni n HIS 18 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1bni n HIS 18 Cb 0.48 -2.09 -0.02 0.00 1.12 0.00 0.00 29.99 29.48 1bni n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bni s LYS 19 N -3.84 1.31 0.38 -0.41 0.00 -1.16 -4.99 119.74 111.03 1bni s LYS 19 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 55.97 55.12 1bni s LYS 19 Cb 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 37.83 38.27 1bni s LYS 19 CO 0.00 -0.59 1.10 -0.51 0.00 0.00 0.00 175.35 175.35 1bni s LEU 20 N -2.77 4.22 0.90 2.77 1.43 -1.26 -3.71 118.68 120.26 1bni s LEU 20 Ca 0.06 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1bni s LEU 20 Cb -0.02 -4.05 0.11 0.00 0.03 0.00 0.00 46.19 42.26 1bni s LEU 20 CO -0.05 -0.51 1.02 -2.65 0.23 0.00 0.00 176.35 174.39 1bni n PRO 21 N 0.16 -0.31 0.00 1.29 -0.02 -1.26 -4.88 135.00 129.98 1bni n PRO 21 Ca 0.04 -0.02 0.04 0.00 -2.02 0.00 0.00 63.50 61.54 1bni n PRO 21 Cb 0.48 -2.29 0.24 0.00 -0.02 0.00 0.00 33.50 31.91 1bni n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bni n ASP 22 N -3.51 0.00 -0.02 2.55 5.75 -1.26 -2.37 116.55 117.69 1bni n ASP 22 Ca 0.11 -1.13 0.15 0.00 -0.01 0.00 0.00 54.79 53.91 1bni n ASP 22 Cb 0.52 0.00 0.70 0.00 -1.03 0.00 0.00 41.12 41.30 1bni n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bni n ASN 23 N -0.68 0.12 -4.88 -1.12 6.94 -1.26 -4.85 115.26 109.52 1bni n ASN 23 Ca 0.06 -0.17 -0.34 0.00 -0.02 0.00 0.00 54.58 54.11 1bni n ASN 23 Cb 0.03 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.15 1bni n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bni s TYR 24 N -2.61 3.57 -0.00 -2.53 2.02 -1.00 -2.39 117.35 114.40 1bni s TYR 24 Ca 0.26 0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 57.54 1bni s TYR 24 Cb 0.20 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1bni s TYR 24 CO 0.48 0.58 0.03 0.96 -1.57 0.00 0.00 175.55 176.03 1bni s ILE 25 N -1.36 0.04 0.84 2.71 -4.36 0.35 -4.86 121.20 114.57 1bni s ILE 25 Ca 0.30 -0.36 -0.12 0.00 -0.26 0.00 0.00 60.65 60.21 1bni s ILE 25 Cb -0.13 -0.17 0.09 0.00 1.25 0.00 0.00 42.46 43.50 1bni s ILE 25 CO 0.18 -0.20 1.10 0.42 0.24 0.00 0.00 174.94 176.68 1bni s THR 26 N -0.60 2.79 0.23 8.37 -4.23 -1.19 -0.69 115.64 120.33 1bni s THR 26 Ca -0.07 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.64 1bni s THR 26 Cb -0.04 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.99 1bni s THR 26 CO -0.00 -0.34 1.77 0.11 -0.54 0.00 0.00 174.62 175.62 1bni h LYS 27 N -1.26 1.06 -0.02 3.99 1.57 -1.97 -2.46 116.57 117.48 1bni h LYS 27 Ca -0.48 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 57.95 1bni h LYS 27 Cb 1.28 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1bni h LYS 27 CO 0.59 0.91 -0.58 0.66 -0.57 0.00 0.00 179.45 180.46 1bni h SER 28 N 1.02 0.06 -0.45 0.86 4.64 -1.99 -1.11 113.55 116.57 1bni h SER 28 Ca 0.22 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 1bni h SER 28 Cb 0.31 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1bni h SER 28 CO -0.01 0.63 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.22 1bni h GLU 29 N 0.04 0.82 -0.27 4.77 5.08 -1.86 -2.83 114.58 120.33 1bni h GLU 29 Ca -0.01 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1bni h GLU 29 Cb 1.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1bni h GLU 29 CO 0.08 0.89 0.15 0.00 -1.00 0.00 0.00 179.01 179.13 1bni h ALA 30 N 0.90 0.33 -0.68 3.43 0.00 -1.37 -2.39 119.26 119.48 1bni h ALA 30 Ca 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1bni h ALA 30 Cb 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1bni h ALA 30 CO 0.03 -0.23 0.30 1.96 0.00 0.00 0.00 179.25 181.30 1bni h GLN 31 N 0.31 0.99 0.00 0.00 4.20 -1.14 -0.40 115.11 119.07 1bni h GLN 31 Ca 0.11 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1bni h GLN 31 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1bni h GLN 31 CO -0.06 0.79 -0.23 0.00 -0.67 0.00 0.00 178.83 178.66 1bni h ALA 32 N 1.34 1.09 -0.01 3.87 0.00 -1.32 -2.08 119.26 122.16 1bni h ALA 32 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bni h ALA 32 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bni h ALA 32 CO -0.02 0.29 -0.03 1.28 0.00 0.00 0.00 179.25 180.77 1bni n LEU 33 N -3.51 1.15 0.00 0.00 4.77 -0.79 -4.92 117.00 113.71 1bni n LEU 33 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1bni n LEU 33 Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1bni n LEU 33 CO 0.33 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1bni n GLY 34 N 1.17 1.02 3.71 -0.72 0.00 -0.78 -4.86 105.19 104.73 1bni n GLY 34 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1bni n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bni s TRP 35 N -2.00 2.86 -0.23 1.61 -0.00 -0.23 -4.99 118.94 115.96 1bni s TRP 35 Ca 0.00 0.56 0.02 0.00 -0.00 0.00 0.00 56.10 56.68 1bni s TRP 35 Cb 0.00 -3.90 0.05 0.00 -0.00 0.00 0.00 33.47 29.61 1bni s TRP 35 CO 0.00 -3.43 -0.13 0.08 -0.00 0.00 0.00 176.95 173.47 1bni s VAL 36 N 1.69 2.04 0.28 5.86 1.01 -1.26 -4.54 120.40 125.47 1bni s VAL 36 Ca 0.71 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1bni s VAL 36 Cb -0.41 -2.07 0.26 0.00 0.00 0.00 0.00 36.38 34.16 1bni s VAL 36 CO 0.31 0.14 1.73 0.00 0.00 0.00 0.00 175.10 177.28 1bni h ALA 37 N 7.85 1.34 0.00 5.51 0.00 -2.00 -1.83 119.26 130.14 1bni h ALA 37 Ca -0.27 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bni h ALA 37 Cb 1.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bni h ALA 37 CO 0.51 -0.23 -0.01 0.77 0.00 0.00 0.00 179.25 180.29 1bni h SER 38 N 0.50 0.00 0.19 0.00 0.02 -2.03 -2.76 113.55 109.47 1bni h SER 38 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1bni h SER 38 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1bni h SER 38 CO -0.45 0.01 -1.31 0.29 -1.14 0.00 0.00 176.83 174.23 1bni n LYS 39 N -3.77 0.33 -2.57 3.45 4.76 -0.70 -4.97 118.16 114.69 1bni n LYS 39 Ca -0.03 -0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.18 1bni n LYS 39 Cb 0.09 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 31.74 1bni n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bni n GLY 40 N 1.37 -0.32 0.95 0.72 0.00 -1.04 -4.92 105.19 101.94 1bni n GLY 40 Ca 0.01 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1bni n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bni n ASN 41 N -1.48 2.73 -0.30 1.61 6.94 -1.26 -3.70 115.26 119.80 1bni n ASN 41 Ca -0.16 -2.17 0.14 0.00 -0.02 0.00 0.00 54.58 52.37 1bni n ASN 41 Cb 0.63 -0.39 0.39 0.00 -2.36 0.00 0.00 39.78 38.06 1bni n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bni h LEU 42 N 2.40 0.64 -0.87 -4.53 5.85 -1.88 -2.26 115.31 114.67 1bni h LEU 42 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1bni h LEU 42 Cb 0.82 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1bni h LEU 42 CO 0.09 0.27 0.57 0.00 -0.34 0.00 0.00 178.44 179.03 1bni h ALA 43 N 1.61 1.11 -0.18 1.25 0.00 -1.84 -0.39 119.26 120.82 1bni h ALA 43 Ca 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1bni h ALA 43 Cb 0.91 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bni h ALA 43 CO -0.26 0.52 0.04 -0.44 0.00 0.00 0.00 179.25 179.11 1bni h ASP 44 N 1.19 0.28 0.80 0.00 3.32 -1.77 -2.97 116.42 117.26 1bni h ASP 44 Ca 0.32 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1bni h ASP 44 Cb -0.12 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1bni h ASP 44 CO -0.07 0.45 -1.28 1.33 -1.72 0.00 0.00 179.24 177.96 1bni n VAL 45 N -4.78 0.95 -2.96 -1.35 0.24 -1.18 -4.60 118.33 104.66 1bni n VAL 45 Ca -0.04 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.48 1bni n VAL 45 Cb 0.18 -0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 31.96 1bni n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bni n ALA 46 N -2.31 0.08 -1.70 2.33 0.00 -0.16 -4.94 120.51 113.80 1bni n ALA 46 Ca -0.06 -2.07 -0.44 0.00 0.00 0.00 0.00 53.44 50.87 1bni n ALA 46 Cb 0.73 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1bni n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bni n PRO 47 N 2.07 2.44 -0.91 0.00 -0.02 -1.12 -1.97 135.00 135.49 1bni n PRO 47 Ca 0.17 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1bni n PRO 47 Cb 0.57 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1bni n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bni n GLY 48 N 3.23 0.88 3.76 -1.23 0.00 -1.26 -5.00 105.19 105.56 1bni n GLY 48 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1bni n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bni s LYS 49 N -0.09 2.78 0.01 1.61 -0.14 -0.83 -4.81 119.74 118.27 1bni s LYS 49 Ca 0.00 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.85 1bni s LYS 49 Cb 0.00 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 1bni s LYS 49 CO 0.00 0.53 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.89 1bni s SER 50 N -2.61 1.34 0.00 2.83 0.01 -1.01 -4.76 113.70 109.50 1bni s SER 50 Ca 0.29 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 1bni s SER 50 Cb -0.11 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1bni s SER 50 CO 0.21 0.07 1.25 -0.63 0.41 0.00 0.00 173.24 174.56 1bni s ILE 51 N -0.52 4.02 -0.10 1.44 -1.09 -1.25 -0.50 121.20 123.20 1bni s ILE 51 Ca 0.02 1.40 -0.33 0.00 -2.23 0.00 0.00 60.65 59.52 1bni s ILE 51 Cb -0.06 -3.90 0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1bni s ILE 51 CO 0.00 0.04 1.27 -0.83 -1.23 0.00 0.00 174.94 174.19 1bni s GLY 52 N 1.42 -0.36 0.00 6.18 0.00 0.13 -1.59 107.32 113.11 1bni s GLY 52 Ca 0.59 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1bni s GLY 52 CO 0.26 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.28 1bni n GLY 53 N -0.31 0.52 3.86 0.20 0.00 0.26 -3.17 105.19 106.55 1bni n GLY 53 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1bni n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bni s ASP 54 N -2.95 6.51 0.07 1.61 1.01 -1.18 -4.79 116.67 116.94 1bni s ASP 54 Ca 0.00 1.35 -0.31 0.00 0.71 0.00 0.00 52.55 54.30 1bni s ASP 54 Cb 0.00 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 1bni s ASP 54 CO 0.00 -0.56 1.27 -0.63 0.21 0.00 0.00 175.17 175.46 1bni s ILE 55 N -2.62 3.81 -0.35 0.77 -1.09 -1.26 -0.94 121.20 119.52 1bni s ILE 55 Ca 0.55 1.29 -0.14 0.00 -2.23 0.00 0.00 60.65 60.12 1bni s ILE 55 Cb -0.10 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1bni s ILE 55 CO 0.35 0.09 0.29 0.12 -1.23 0.00 0.00 174.94 174.56 1bni s PHE 56 N 1.19 3.22 -0.06 3.97 5.36 -0.50 -4.85 117.98 126.30 1bni s PHE 56 Ca 0.61 -0.20 0.31 0.00 -0.96 0.00 0.00 56.93 56.68 1bni s PHE 56 Cb -0.32 -2.55 1.09 0.00 -0.34 0.00 0.00 43.02 40.90 1bni s PHE 56 CO 0.29 -0.41 1.88 0.66 -1.46 0.00 0.00 175.22 176.18 1bni h SER 57 N 8.50 0.00 -6.38 6.13 4.64 -1.94 -3.36 113.55 121.14 1bni h SER 57 Ca -0.30 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.53 1bni h SER 57 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 1bni h SER 57 CO 0.66 0.00 -0.79 -3.20 -0.87 0.00 0.00 176.83 172.63 1bni n ASN 58 N -3.06 -3.66 0.09 4.97 5.15 -1.26 -4.88 115.26 112.61 1bni n ASN 58 Ca 0.02 -0.85 -0.01 0.00 -0.60 0.00 0.00 54.58 53.14 1bni n ASN 58 Cb 0.36 -3.60 0.27 0.00 -0.53 0.00 0.00 39.78 36.28 1bni n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bni h ARG 59 N -1.92 0.29 -0.00 1.20 0.11 -1.99 -2.78 114.38 109.28 1bni h ARG 59 Ca -0.59 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.38 1bni h ARG 59 Cb 1.38 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1bni h ARG 59 CO 0.68 0.56 -0.01 0.39 0.10 0.00 0.00 179.97 181.68 1bni n GLU 60 N -4.12 0.65 -1.07 0.08 -0.58 -1.26 -4.94 120.64 109.41 1bni n GLU 60 Ca -0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.67 1bni n GLU 60 Cb 0.40 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1bni n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bni n GLY 61 N 1.19 0.36 0.35 0.62 0.00 -1.05 -4.90 105.19 101.76 1bni n GLY 61 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1bni n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bni h LYS 62 N 0.24 1.09 -6.05 1.61 1.57 -1.92 -3.43 116.57 109.67 1bni h LYS 62 Ca -0.05 -0.09 -0.60 0.00 -1.87 0.00 0.00 60.65 58.04 1bni h LYS 62 Cb 0.76 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1bni h LYS 62 CO 0.07 0.76 -0.26 -0.51 -0.57 0.00 0.00 179.45 178.94 1bni s LEU 63 N -9.86 4.38 -0.09 2.94 1.43 -1.26 -5.00 118.68 111.21 1bni s LEU 63 Ca -0.12 0.80 -0.37 0.00 -1.03 0.00 0.00 54.13 53.42 1bni s LEU 63 Cb 0.17 -2.83 -0.14 0.00 0.03 0.00 0.00 46.19 43.42 1bni s LEU 63 CO 0.80 0.22 1.70 -0.81 0.23 0.00 0.00 176.35 178.49 1bni n PRO 64 N 1.18 1.63 -3.12 1.29 -0.04 -1.26 -4.94 135.00 129.74 1bni n PRO 64 Ca -0.10 0.60 -0.24 0.00 -0.04 0.00 0.00 63.50 63.72 1bni n PRO 64 Cb 0.52 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1bni n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bni s GLY 65 N 2.85 1.47 -0.26 0.55 0.00 -1.26 -5.09 107.32 105.57 1bni s GLY 65 Ca 0.91 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 1bni s GLY 65 CO 0.54 -0.83 1.31 1.25 0.00 0.00 0.00 173.10 175.36 1bni s LYS 66 N -4.47 0.14 -0.11 2.90 2.20 -1.26 -5.07 119.74 114.07 1bni s LYS 66 Ca 0.45 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 1bni s LYS 66 Cb -0.10 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1bni s LYS 66 CO 0.38 -0.05 1.32 0.45 -0.36 0.00 0.00 175.35 177.09 1bni s SER 67 N -1.19 6.92 -0.01 1.43 0.15 -1.26 -2.56 113.70 117.17 1bni s SER 67 Ca 0.08 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.56 1bni s SER 67 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1bni s SER 67 CO -0.06 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1bni n GLY 68 N 3.64 0.45 3.41 9.45 0.00 -1.26 -5.01 105.19 115.87 1bni n GLY 68 Ca 0.14 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1bni n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bni s ARG 69 N -0.89 3.05 -0.08 1.61 3.52 -1.06 -4.94 118.95 120.17 1bni s ARG 69 Ca 0.00 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.65 1bni s ARG 69 Cb 0.00 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1bni s ARG 69 CO 0.00 -0.58 0.04 -0.08 -0.81 0.00 0.00 175.30 173.87 1bni s THR 70 N 1.58 4.58 0.05 4.11 -1.32 -1.26 -4.68 115.64 118.70 1bni s THR 70 Ca 0.03 -0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.32 1bni s THR 70 Cb -0.18 -2.97 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 1bni s THR 70 CO 0.07 0.56 0.12 0.26 -2.21 0.00 0.00 174.62 173.42 1bni s TRP 71 N -0.96 3.32 0.06 9.09 0.52 -1.26 -0.97 118.94 128.75 1bni s TRP 71 Ca 0.15 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 1bni s TRP 71 Cb -0.12 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1bni s TRP 71 CO 0.05 0.55 -0.02 1.03 0.02 0.00 0.00 176.95 178.58 1bni s ARG 72 N -2.25 0.67 0.22 4.98 0.52 0.15 -1.42 118.95 121.82 1bni s ARG 72 Ca 0.29 -1.26 0.06 0.00 -0.52 0.00 0.00 55.73 54.30 1bni s ARG 72 Cb -0.12 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 1bni s ARG 72 CO 0.22 -0.12 -0.09 -1.83 0.02 0.00 0.00 175.30 173.49 1bni s GLU 73 N -3.93 1.33 -0.20 3.54 -1.05 -0.11 -1.55 118.70 116.73 1bni s GLU 73 Ca 0.10 -1.62 -0.17 0.00 -0.15 0.00 0.00 54.97 53.12 1bni s GLU 73 Cb 0.08 -0.95 0.05 0.00 -0.44 0.00 0.00 34.13 32.87 1bni s GLU 73 CO -0.08 0.08 0.52 0.00 0.95 0.00 0.00 175.26 176.73 1bni s ALA 74 N -3.13 -1.28 0.22 -0.84 0.00 -1.02 0.92 121.76 116.63 1bni s ALA 74 Ca 0.24 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 1bni s ALA 74 Cb 0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 1bni s ALA 74 CO 0.07 -0.25 1.42 -0.51 0.00 0.00 0.00 175.76 176.49 1bni s ASP 75 N 0.38 6.71 0.09 0.00 1.11 -0.62 -0.95 116.67 123.40 1bni s ASP 75 Ca -0.01 2.59 0.09 0.00 0.18 0.00 0.00 52.55 55.40 1bni s ASP 75 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1bni s ASP 75 CO -0.01 -0.67 -0.20 -0.63 1.18 0.00 0.00 175.17 174.84 1bni s ILE 76 N 0.17 2.66 -1.75 0.77 -1.09 -0.26 -4.70 121.20 117.01 1bni s ILE 76 Ca 0.60 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1bni s ILE 76 Cb -0.41 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1bni s ILE 76 CO 0.40 0.18 0.00 0.59 -1.23 0.00 0.00 174.94 174.88 1bni n ASN 77 N 1.08 -4.93 -4.77 3.58 3.02 0.35 -4.59 115.26 109.01 1bni n ASN 77 Ca -0.16 0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.28 1bni n ASN 77 Cb 0.53 -4.29 -0.06 0.00 -0.61 0.00 0.00 39.78 35.35 1bni n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bni s TYR 78 N -2.67 3.78 0.00 3.10 5.04 -1.26 -4.95 117.35 120.38 1bni s TYR 78 Ca 0.00 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1bni s TYR 78 Cb 0.00 -2.68 0.00 0.00 0.35 0.00 0.00 41.96 39.63 1bni s TYR 78 CO 0.00 0.42 0.00 0.25 -1.34 0.00 0.00 175.55 174.88 1bni n THR 79 N 2.27 0.00 -3.84 4.34 -2.24 -1.26 -4.90 114.28 108.65 1bni n THR 79 Ca -0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 1bni n THR 79 Cb 0.50 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 1bni n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bni s SER 80 N -4.28 -0.19 0.47 3.42 1.04 -1.26 -4.81 113.70 108.09 1bni s SER 80 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1bni s SER 80 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1bni s SER 80 CO 0.00 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1bni n GLY 81 N -0.48 0.15 3.75 7.32 0.00 -1.24 -4.82 105.19 109.87 1bni n GLY 81 Ca -0.05 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1bni n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bni s PHE 82 N 0.00 2.43 0.54 1.61 0.40 -1.26 -4.54 117.98 117.16 1bni s PHE 82 Ca 0.00 1.55 -0.19 0.00 -0.60 0.00 0.00 56.93 57.68 1bni s PHE 82 Cb 0.00 -3.37 -0.06 0.00 0.51 0.00 0.00 43.02 40.10 1bni s PHE 82 CO 0.00 -2.05 1.12 1.03 0.70 0.00 0.00 175.22 176.02 1bni s ARG 83 N -3.61 3.37 0.00 0.44 0.52 -1.26 -4.97 118.95 113.43 1bni s ARG 83 Ca 0.74 1.59 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 1bni s ARG 83 Cb -0.27 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1bni s ARG 83 CO 0.36 -0.83 0.00 0.27 0.02 0.00 0.00 175.30 175.12 1bni n ASN 84 N -1.32 0.00 -0.88 0.23 0.23 -1.26 -5.05 115.26 107.22 1bni n ASN 84 Ca 0.11 -0.44 0.07 0.00 -0.53 0.00 0.00 54.58 53.80 1bni n ASN 84 Cb 0.51 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.43 1bni n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bni n SER 85 N -1.32 3.47 -4.76 0.53 3.41 -1.26 -4.97 113.62 108.73 1bni n SER 85 Ca 0.00 -2.29 -0.36 0.00 -0.26 0.00 0.00 58.87 55.95 1bni n SER 85 Cb 0.00 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 1bni n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bni s ASP 86 N -1.20 6.41 -0.05 4.04 1.01 -1.26 -2.45 116.67 123.16 1bni s ASP 86 Ca 0.33 0.48 -0.05 0.00 0.71 0.00 0.00 52.55 54.02 1bni s ASP 86 Cb 0.21 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 42.00 1bni s ASP 86 CO 0.17 0.19 0.15 -0.13 0.21 0.00 0.00 175.17 175.75 1bni s ARG 87 N 0.07 0.19 -0.00 8.23 1.81 -0.87 -1.10 118.95 127.27 1bni s ARG 87 Ca 0.15 0.17 -0.00 0.00 -1.72 0.00 0.00 55.73 54.33 1bni s ARG 87 Cb -0.13 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 1bni s ARG 87 CO 0.03 -0.03 0.08 -1.50 -0.68 0.00 0.00 175.30 173.21 1bni s ILE 88 N 0.00 4.75 -0.11 1.52 2.07 -0.12 -1.68 121.20 127.63 1bni s ILE 88 Ca -0.01 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 1bni s ILE 88 Cb -0.01 -3.18 0.02 0.00 0.13 0.00 0.00 42.46 39.42 1bni s ILE 88 CO 0.00 0.34 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.50 1bni s LEU 89 N -1.76 1.49 -0.02 8.50 1.02 0.22 -2.43 118.68 125.70 1bni s LEU 89 Ca 0.23 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 54.06 1bni s LEU 89 Cb -0.12 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 1bni s LEU 89 CO 0.14 -0.04 -0.14 -0.72 0.02 0.00 0.00 176.35 175.61 1bni s TYR 90 N 1.26 1.25 0.42 0.29 1.13 -0.59 0.38 117.35 121.49 1bni s TYR 90 Ca -0.02 -0.26 0.06 0.00 -1.41 0.00 0.00 57.07 55.44 1bni s TYR 90 Cb -0.14 -0.82 0.01 0.00 -1.10 0.00 0.00 41.96 39.91 1bni s TYR 90 CO -0.04 -0.05 0.58 -1.54 -2.51 0.00 0.00 175.55 172.00 1bni s SER 91 N -0.22 5.67 0.47 -0.18 1.04 0.24 0.33 113.70 121.06 1bni s SER 91 Ca 0.03 -0.28 0.32 0.00 0.48 0.00 0.00 55.95 56.50 1bni s SER 91 Cb -0.06 -0.85 1.42 0.00 0.10 0.00 0.00 66.02 66.63 1bni s SER 91 CO -0.00 -0.75 1.95 0.77 0.98 0.00 0.00 173.24 176.19 1bni h SER 92 N 0.59 0.00 -0.49 7.02 4.64 -1.39 -2.02 113.55 121.91 1bni h SER 92 Ca -0.42 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.78 1bni h SER 92 Cb 1.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 1bni h SER 92 CO 0.48 0.00 0.10 -0.90 -0.87 0.00 0.00 176.83 175.64 1bni n ASP 93 N -2.79 4.12 -3.53 4.97 5.75 -1.26 -4.95 116.55 118.85 1bni n ASP 93 Ca 0.00 -3.24 -0.21 0.00 -0.01 0.00 0.00 54.79 51.33 1bni n ASP 93 Cb 0.23 -0.65 0.08 0.00 -1.03 0.00 0.00 41.12 39.75 1bni n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bni n TRP 94 N -0.43 -2.63 -3.20 2.11 7.02 -0.76 -5.01 117.44 114.55 1bni n TRP 94 Ca 0.32 0.99 -0.39 0.00 -1.02 0.00 0.00 57.50 57.40 1bni n TRP 94 Cb 1.15 -5.06 -0.05 0.00 -2.42 0.00 0.00 31.31 24.92 1bni n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bni s LEU 95 N -6.95 4.35 -0.11 -0.99 1.43 -1.26 -4.86 118.68 110.30 1bni s LEU 95 Ca 0.37 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1bni s LEU 95 Cb -0.16 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.18 1bni s LEU 95 CO 0.73 0.01 -0.19 -0.63 0.23 0.00 0.00 176.35 176.50 1bni s ILE 96 N 0.32 1.76 0.21 -0.59 1.01 -1.12 -0.59 121.20 122.20 1bni s ILE 96 Ca 0.31 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.23 1bni s ILE 96 Cb -0.17 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1bni s ILE 96 CO 0.15 0.49 -0.18 -0.31 0.00 0.00 0.00 174.94 175.09 1bni s TYR 97 N 0.66 1.96 0.10 3.97 1.51 0.16 -1.20 117.35 124.51 1bni s TYR 97 Ca -0.12 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1bni s TYR 97 Cb -0.16 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1bni s TYR 97 CO 0.03 0.46 -0.11 -1.59 -1.11 0.00 0.00 175.55 173.22 1bni s LYS 98 N -3.20 0.87 0.01 -0.62 -2.85 -0.11 0.68 119.74 114.53 1bni s LYS 98 Ca 0.22 -1.13 0.01 0.00 -1.00 0.00 0.00 55.97 54.07 1bni s LYS 98 Cb -0.04 -0.65 -0.01 0.00 -2.06 0.00 0.00 37.83 35.07 1bni s LYS 98 CO 0.09 0.11 -0.05 -0.08 0.10 0.00 0.00 175.35 175.53 1bni s THR 99 N -2.16 0.33 -0.02 3.79 -1.32 -0.68 -1.90 115.64 113.68 1bni s THR 99 Ca 0.04 -0.45 0.03 0.00 -1.21 0.00 0.00 61.69 60.10 1bni s THR 99 Cb -0.05 -0.33 0.05 0.00 -1.51 0.00 0.00 72.50 70.66 1bni s THR 99 CO 0.01 -0.09 0.88 0.35 -2.21 0.00 0.00 174.62 173.56 1bni n THR 100 N 2.48 0.45 -2.41 5.08 -2.24 -1.26 -2.06 114.28 114.32 1bni n THR 100 Ca -0.16 -0.51 -0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1bni n THR 100 Cb 0.57 0.51 0.06 0.00 -2.10 0.00 0.00 70.33 69.38 1bni n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bni n ASP 101 N -0.31 1.78 -1.74 3.42 5.68 -1.22 -4.74 116.55 119.42 1bni n ASP 101 Ca 0.03 -2.52 -0.08 0.00 -0.50 0.00 0.00 54.79 51.72 1bni n ASP 101 Cb 0.58 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 40.19 1bni n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bni n HIS 102 N -0.26 -0.99 -1.40 2.11 8.25 -1.03 -3.59 115.22 118.32 1bni n HIS 102 Ca 0.13 0.37 -0.14 0.00 -0.26 0.00 0.00 57.72 57.82 1bni n HIS 102 Cb 0.94 -2.73 -0.06 0.00 1.12 0.00 0.00 29.99 29.26 1bni n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bni n TYR 103 N -3.00 0.00 0.03 4.41 4.02 -1.26 -4.90 117.16 116.45 1bni n TYR 103 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 1bni n TYR 103 Cb 0.54 -2.92 -0.14 0.00 -0.02 0.00 0.00 39.34 36.79 1bni n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bni h GLN 104 N 0.01 0.25 -4.83 -0.72 7.50 -1.99 -3.47 115.11 111.86 1bni h GLN 104 Ca -0.28 -0.42 -0.42 0.00 0.50 0.00 0.00 58.65 58.03 1bni h GLN 104 Cb 1.21 0.15 -0.29 0.00 0.05 0.00 0.00 27.48 28.60 1bni h GLN 104 CO 0.41 1.19 -0.79 0.99 -1.50 0.00 0.00 178.83 179.14 1bni s THR 105 N -2.42 0.81 -0.04 -0.54 2.01 -1.26 -5.11 115.64 109.10 1bni s THR 105 Ca -0.15 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1bni s THR 105 Cb 0.00 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1bni s THR 105 CO 0.81 0.23 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.52 1bni s PHE 106 N -0.17 1.02 0.02 4.92 0.40 -1.26 -4.08 117.98 118.82 1bni s PHE 106 Ca 0.03 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1bni s PHE 106 Cb -0.05 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 1bni s PHE 106 CO -0.00 -0.15 -0.21 0.99 0.70 0.00 0.00 175.22 176.55 1bni s THR 107 N 0.42 1.66 0.20 0.64 2.01 -0.80 -4.96 115.64 114.81 1bni s THR 107 Ca -0.07 -1.07 -0.31 0.00 0.31 0.00 0.00 61.69 60.55 1bni s THR 107 Cb -0.11 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.89 1bni s THR 107 CO 0.01 0.31 1.45 -0.75 -0.69 0.00 0.00 174.62 174.96 1bni s LYS 108 N -0.89 4.27 0.00 4.92 2.20 -1.26 -0.93 119.74 128.05 1bni s LYS 108 Ca 0.08 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1bni s LYS 108 Cb -0.08 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1bni s LYS 108 CO 0.01 -0.46 0.00 0.44 -0.36 0.00 0.00 175.35 174.98 1bni n ILE 109 N 3.07 0.00 -0.99 5.43 -5.35 -0.34 -4.89 119.36 116.29 1bni n ILE 109 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1bni n ILE 109 Cb 0.40 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 1bni n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33