#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 4.32 -0.02 1.34 1.01 -1.26 -4.76 121.20 121.83 1bni s ILE 4 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1bni s ILE 4 Cb 0.00 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.98 1bni s ILE 4 CO 0.00 -0.89 0.95 -0.46 0.00 0.00 0.00 174.94 174.54 1bni n ASN 5 N 7.52 0.34 -4.93 3.58 6.94 -1.26 -4.78 115.26 122.68 1bni n ASN 5 Ca 0.10 -2.00 -0.26 0.00 -0.02 0.00 0.00 54.58 52.40 1bni n ASN 5 Cb 0.49 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 37.68 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 -0.38 5.16 0.26 5.53 -4.23 -1.26 -0.02 115.64 120.69 1bni s THR 6 Ca 0.04 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1bni s THR 6 Cb 0.04 -3.77 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1bni s THR 6 CO 0.00 -0.29 1.91 -0.26 -0.54 0.00 0.00 174.62 175.45 1bni h PHE 7 N 1.64 1.23 0.08 3.99 0.04 -1.98 0.34 116.94 122.28 1bni h PHE 7 Ca -0.49 0.03 -0.31 0.00 2.80 0.00 0.00 57.97 60.01 1bni h PHE 7 Cb 1.20 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1bni h PHE 7 CO 0.54 0.71 -1.62 -0.44 -0.60 0.00 0.00 178.31 176.90 1bni h ASP 8 N 1.27 0.26 -0.14 2.17 3.32 -1.98 -2.23 116.42 119.09 1bni h ASP 8 Ca 0.40 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1bni h ASP 8 Cb -0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1bni h ASP 8 CO -0.12 1.37 0.01 1.23 -1.72 0.00 0.00 179.24 180.00 1bni h GLY 9 N 2.18 0.14 1.46 2.75 0.00 -1.88 0.71 103.07 108.43 1bni h GLY 9 Ca -0.27 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1bni h GLY 9 CO 0.12 -0.02 -0.38 -2.08 0.00 0.00 0.00 176.54 174.18 1bni h VAL 10 N 0.06 1.29 -0.08 4.60 2.07 -0.40 0.31 116.25 124.11 1bni h VAL 10 Ca 0.06 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1bni h VAL 10 Cb 0.07 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1bni h VAL 10 CO -0.10 0.49 0.01 0.00 0.02 0.00 0.00 177.57 177.99 1bni h ALA 11 N 1.08 0.11 0.39 1.67 0.00 -1.30 -0.74 119.26 120.47 1bni h ALA 11 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1bni h ALA 11 Cb 0.89 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bni h ALA 11 CO 0.08 -0.24 -0.38 -0.44 0.00 0.00 0.00 179.25 178.27 1bni h ASP 12 N -0.10 -1.03 -0.35 0.00 3.32 -0.80 -2.88 116.42 114.57 1bni h ASP 12 Ca 0.03 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1bni h ASP 12 Cb 0.29 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 40.10 1bni h ASP 12 CO 0.00 -0.53 -0.33 0.22 -1.72 0.00 0.00 179.24 176.89 1bni h TYR 13 N -0.79 -0.90 -0.83 4.55 5.03 -0.25 -2.66 116.97 121.12 1bni h TYR 13 Ca -0.03 0.05 0.22 0.00 2.58 0.00 0.00 58.73 61.55 1bni h TYR 13 Cb 0.71 0.45 -0.05 0.00 1.55 0.00 0.00 36.73 39.39 1bni h TYR 13 CO -0.21 -0.38 0.58 -0.07 -1.32 0.00 0.00 178.16 176.76 1bni h LEU 14 N -0.28 0.16 0.00 2.82 3.38 -0.95 0.90 115.31 121.35 1bni h LEU 14 Ca 0.16 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1bni h LEU 14 Cb 0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1bni h LEU 14 CO -0.50 0.07 -1.13 1.56 0.09 0.00 0.00 178.44 178.52 1bni h GLN 15 N 0.16 0.00 0.16 1.13 4.20 -1.39 2.98 115.11 122.35 1bni h GLN 15 Ca 0.41 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.77 1bni h GLN 15 Cb 1.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1bni h GLN 15 CO -0.07 0.33 -1.81 1.15 -0.67 0.00 0.00 178.83 177.76 1bni h THR 16 N 0.00 0.83 0.00 -0.54 2.02 -0.92 -3.40 112.91 110.91 1bni h THR 16 Ca -0.11 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1bni h THR 16 Cb 1.49 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1bni h THR 16 CO 0.05 0.86 0.00 -1.22 0.37 0.00 0.00 175.52 175.58 1bni n TYR 17 N -3.60 0.00 -3.81 3.16 4.01 0.30 -5.06 117.16 112.17 1bni n TYR 17 Ca -0.27 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.16 1bni n TYR 17 Cb 1.05 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.09 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 -0.35 -1.90 0.00 -0.72 8.25 1.00 -4.94 115.22 116.56 1bni n HIS 18 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1bni n HIS 18 Cb 0.02 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1bni n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bni n LYS 19 N -3.55 0.00 -2.49 -0.41 2.85 -1.25 -5.03 118.16 108.28 1bni n LYS 19 Ca -0.20 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.70 1bni n LYS 19 Cb 0.62 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.97 1bni n LYS 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bni s LEU 20 N 0.00 4.12 1.04 -5.58 1.43 -1.26 -4.02 118.68 114.42 1bni s LEU 20 Ca 0.00 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 1bni s LEU 20 Cb 0.00 -4.19 0.18 0.00 0.03 0.00 0.00 46.19 42.21 1bni s LEU 20 CO 0.00 -0.56 0.86 -2.65 0.23 0.00 0.00 176.35 174.23 1bni n PRO 21 N -0.13 -1.33 0.14 1.29 -0.02 -1.26 -4.93 135.00 128.76 1bni n PRO 21 Ca 0.05 -0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.31 1bni n PRO 21 Cb 0.49 -2.15 0.49 0.00 -0.02 0.00 0.00 33.50 32.31 1bni n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bni h ASP 22 N -2.18 0.00 0.00 2.55 3.32 -1.95 -3.10 116.42 115.06 1bni h ASP 22 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1bni h ASP 22 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1bni h ASP 22 CO 0.43 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.49 1bni n ASN 23 N -2.35 0.00 -4.85 6.45 6.94 -1.26 -4.81 115.26 115.38 1bni n ASN 23 Ca 0.03 -0.89 -0.37 0.00 -0.02 0.00 0.00 54.58 53.32 1bni n ASN 23 Cb 0.28 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.64 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 -2.00 3.59 0.02 -2.53 2.02 -1.17 0.53 117.35 117.80 1bni s TYR 24 Ca 0.32 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 1bni s TYR 24 Cb 0.15 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1bni s TYR 24 CO 0.25 0.65 -0.03 0.96 -1.57 0.00 0.00 175.55 175.81 1bni s ILE 25 N -0.79 0.10 0.89 2.71 -4.36 -0.39 -4.89 121.20 114.47 1bni s ILE 25 Ca 0.15 -0.81 -0.14 0.00 -0.26 0.00 0.00 60.65 59.59 1bni s ILE 25 Cb -0.13 -0.24 0.14 0.00 1.25 0.00 0.00 42.46 43.49 1bni s ILE 25 CO 0.04 -0.44 1.25 0.42 0.24 0.00 0.00 174.94 176.45 1bni s THR 26 N -1.30 2.01 0.23 8.37 -4.23 -1.23 -1.62 115.64 117.87 1bni s THR 26 Ca -0.14 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.30 1bni s THR 26 Cb -0.09 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.94 1bni s THR 26 CO -0.01 0.00 1.77 0.11 -0.54 0.00 0.00 174.62 175.95 1bni h LYS 27 N -1.35 0.55 0.03 3.99 1.57 -1.97 0.22 116.57 119.61 1bni h LYS 27 Ca -0.45 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1bni h LYS 27 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1bni h LYS 27 CO 0.51 0.36 -0.09 0.77 -0.57 0.00 0.00 179.45 180.44 1bni h SER 28 N 0.56 -0.24 0.07 0.86 0.02 -1.98 0.14 113.55 112.98 1bni h SER 28 Ca 0.36 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.35 1bni h SER 28 Cb 0.43 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1bni h SER 28 CO -0.30 -0.13 -0.09 -0.33 -1.14 0.00 0.00 176.83 174.84 1bni h GLU 29 N -0.17 -0.18 -0.24 3.45 5.08 -1.81 -2.17 114.58 118.55 1bni h GLU 29 Ca 0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1bni h GLU 29 Cb 0.19 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1bni h GLU 29 CO -0.07 -0.12 0.09 0.00 -1.00 0.00 0.00 179.01 177.92 1bni h ALA 30 N 0.73 0.27 -0.86 3.43 0.00 -0.34 -2.54 119.26 119.95 1bni h ALA 30 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1bni h ALA 30 Cb 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1bni h ALA 30 CO -0.04 -0.32 0.56 1.96 0.00 0.00 0.00 179.25 181.41 1bni h GLN 31 N 0.21 0.98 -0.61 0.00 4.20 -0.61 -0.82 115.11 118.46 1bni h GLN 31 Ca 0.10 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.86 1bni h GLN 31 Cb 0.06 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1bni h GLN 31 CO -0.09 0.65 0.41 0.00 -0.67 0.00 0.00 178.83 179.13 1bni h ALA 32 N 1.52 2.07 0.00 3.87 0.00 -0.96 -2.28 119.26 123.47 1bni h ALA 32 Ca 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1bni h ALA 32 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bni h ALA 32 CO -0.12 -0.21 -0.26 -0.07 0.00 0.00 0.00 179.25 178.59 1bni h LEU 33 N 0.37 0.00 0.00 0.00 3.38 -1.02 -3.47 115.31 114.57 1bni h LEU 33 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1bni h LEU 33 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1bni h LEU 33 CO -0.08 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1bni n GLY 34 N 0.87 1.67 3.70 0.83 0.00 -0.86 -4.99 105.19 106.41 1bni n GLY 34 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.17 -0.31 1.61 -0.00 -0.61 -4.96 118.94 115.85 1bni s TRP 35 Ca 0.00 1.04 0.01 0.00 -0.00 0.00 0.00 56.10 57.15 1bni s TRP 35 Cb 0.00 -3.57 0.07 0.00 -0.00 0.00 0.00 33.47 29.97 1bni s TRP 35 CO 0.00 -1.96 -0.00 0.08 -0.00 0.00 0.00 176.95 175.07 1bni s VAL 36 N 1.63 2.59 0.21 5.86 1.01 -1.26 -4.53 120.40 125.91 1bni s VAL 36 Ca 0.62 -1.77 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1bni s VAL 36 Cb -0.32 -2.63 0.20 0.00 0.00 0.00 0.00 36.38 33.63 1bni s VAL 36 CO 0.28 -0.27 1.65 0.00 0.00 0.00 0.00 175.10 176.77 1bni h ALA 37 N 7.84 0.54 0.00 5.51 0.00 -1.99 -1.23 119.26 129.93 1bni h ALA 37 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bni h ALA 37 Cb 1.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1bni h ALA 37 CO 0.53 -0.41 0.00 0.77 0.00 0.00 0.00 179.25 180.14 1bni h SER 38 N 0.08 0.00 0.24 0.00 0.02 -2.03 -1.44 113.55 110.42 1bni h SER 38 Ca 0.31 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.96 1bni h SER 38 Cb 0.50 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 1bni h SER 38 CO -0.55 0.00 -2.03 0.29 -1.14 0.00 0.00 176.83 173.39 1bni n LYS 39 N -2.82 0.66 -1.90 3.45 5.02 -0.53 -5.01 118.16 117.03 1bni n LYS 39 Ca -0.02 0.11 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1bni n LYS 39 Cb 0.12 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 33.47 1bni n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bni n GLY 40 N 1.62 0.29 1.71 0.72 0.00 -0.54 -4.88 105.19 104.11 1bni n GLY 40 Ca -0.24 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 0.66 5.15 -0.28 1.61 6.94 -1.25 -3.72 115.26 124.38 1bni n ASN 41 Ca -0.08 -2.63 -0.05 0.00 -0.02 0.00 0.00 54.58 51.80 1bni n ASN 41 Cb 0.48 -0.62 0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 4.09 0.93 -2.16 -4.53 5.85 -1.87 -0.93 115.31 116.69 1bni h LEU 42 Ca 0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1bni h LEU 42 Cb 1.65 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1bni h LEU 42 CO 0.33 0.74 -0.00 0.00 -0.34 0.00 0.00 178.44 179.16 1bni h ALA 43 N 1.24 1.00 0.14 1.25 0.00 -1.83 0.16 119.26 121.22 1bni h ALA 43 Ca 0.27 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1bni h ALA 43 Cb -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bni h ALA 43 CO -0.05 0.00 -0.95 -0.44 0.00 0.00 0.00 179.25 177.82 1bni h ASP 44 N 0.00 0.48 0.43 0.00 3.32 -1.54 -3.08 116.42 116.03 1bni h ASP 44 Ca -0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 57.03 55.83 1bni h ASP 44 Cb 0.28 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.69 1bni h ASP 44 CO 0.00 1.45 -1.27 -0.37 -1.72 0.00 0.00 179.24 177.33 1bni h VAL 45 N -0.34 1.40 -2.25 -1.35 -1.51 -1.26 -3.40 116.25 107.54 1bni h VAL 45 Ca -0.17 -2.81 -0.58 0.00 -1.23 0.00 0.00 66.70 61.90 1bni h VAL 45 Cb 1.69 2.87 -0.39 0.00 -2.13 0.00 0.00 31.29 33.33 1bni h VAL 45 CO 0.14 0.83 -0.97 0.00 -1.23 0.00 0.00 177.57 176.35 1bni n ALA 46 N -2.60 2.84 -1.63 5.19 0.00 0.03 -5.03 120.51 119.30 1bni n ALA 46 Ca -0.11 -3.50 -0.48 0.00 0.00 0.00 0.00 53.44 49.35 1bni n ALA 46 Cb 1.02 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 1.98 1.71 -0.02 0.00 -0.02 -1.16 -1.89 135.00 135.60 1bni n PRO 47 Ca 0.25 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1bni n PRO 47 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.67 1.01 3.97 -1.23 0.00 -1.26 -5.05 105.19 105.29 1bni n GLY 48 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.66 3.37 0.07 1.61 -0.14 -0.79 -4.76 119.74 118.44 1bni s LYS 49 Ca 0.00 -0.80 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 1bni s LYS 49 Cb 0.00 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1bni s LYS 49 CO 0.00 0.34 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.65 1bni s SER 50 N -4.03 1.81 0.19 2.83 0.01 0.19 -4.83 113.70 109.88 1bni s SER 50 Ca 0.37 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1bni s SER 50 Cb -0.09 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 1bni s SER 50 CO 0.30 -0.03 1.17 -0.63 0.41 0.00 0.00 173.24 174.46 1bni s ILE 51 N -1.18 3.60 -0.21 1.44 -1.09 -1.26 -1.26 121.20 121.24 1bni s ILE 51 Ca -0.00 1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 59.50 1bni s ILE 51 Cb -0.10 -3.88 0.16 0.00 -1.58 0.00 0.00 42.46 37.06 1bni s ILE 51 CO 0.02 0.23 1.17 -0.83 -1.23 0.00 0.00 174.94 174.31 1bni s GLY 52 N 0.00 -0.12 0.00 6.18 0.00 -0.64 -0.75 107.32 112.00 1bni s GLY 52 Ca 0.51 2.32 0.00 0.00 0.00 0.00 0.00 44.72 47.55 1bni s GLY 52 CO 0.37 1.00 0.00 0.61 0.00 0.00 0.00 173.10 175.08 1bni n GLY 53 N 0.54 1.00 3.75 0.20 0.00 0.34 -3.53 105.19 107.48 1bni n GLY 53 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.97 7.45 0.29 1.61 1.01 -1.19 -4.73 116.67 119.14 1bni s ASP 54 Ca 0.00 2.03 -0.30 0.00 0.71 0.00 0.00 52.55 54.99 1bni s ASP 54 Cb 0.00 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.20 1bni s ASP 54 CO 0.00 -0.03 1.46 -0.38 0.21 0.00 0.00 175.17 176.43 1bni n ILE 55 N 1.80 1.27 -3.69 0.77 5.41 -1.26 -1.65 119.36 122.01 1bni n ILE 55 Ca -0.00 -0.32 -0.37 0.00 1.00 0.00 0.00 62.75 63.06 1bni n ILE 55 Cb 0.47 -1.72 -0.12 0.00 -0.71 0.00 0.00 39.64 37.56 1bni n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1bni s PHE 56 N -0.33 3.16 0.13 1.39 5.36 0.42 -4.85 117.98 123.26 1bni s PHE 56 Ca 0.63 -0.12 -0.32 0.00 -0.96 0.00 0.00 56.93 56.15 1bni s PHE 56 Cb -0.56 -2.30 -0.10 0.00 -0.34 0.00 0.00 43.02 39.72 1bni s PHE 56 CO 0.53 -0.23 1.56 0.66 -1.46 0.00 0.00 175.22 176.28 1bni h SER 57 N 8.21 -1.73 -3.21 6.13 4.64 -1.93 -3.39 113.55 122.27 1bni h SER 57 Ca -0.37 0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1bni h SER 57 Cb 1.18 0.70 0.06 0.00 -0.31 0.00 0.00 62.40 64.03 1bni h SER 57 CO 0.57 -0.43 -0.26 -3.20 -0.87 0.00 0.00 176.83 172.65 1bni n ASN 58 N -5.40 -2.01 0.16 4.97 5.15 -1.26 -4.97 115.26 111.89 1bni n ASN 58 Ca -0.04 -0.21 -0.14 0.00 -0.60 0.00 0.00 54.58 53.59 1bni n ASN 58 Cb 0.36 -2.04 -0.07 0.00 -0.53 0.00 0.00 39.78 37.50 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 -0.63 -0.60 -0.54 1.20 -0.00 -2.01 -2.78 114.38 109.02 1bni h ARG 59 Ca -0.20 0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.83 1bni h ARG 59 Cb 1.11 0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1bni h ARG 59 CO 0.17 -0.40 0.00 -0.85 -0.00 0.00 0.00 179.97 178.89 1bni n GLU 60 N -5.43 1.48 -3.57 0.08 0.28 -1.26 -4.96 120.64 107.26 1bni n GLU 60 Ca -0.08 -0.49 -0.18 0.00 -0.16 0.00 0.00 57.16 56.25 1bni n GLU 60 Cb 0.34 -1.37 -0.06 0.00 1.43 0.00 0.00 31.44 31.78 1bni n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bni n GLY 61 N 0.39 -0.08 0.09 -1.84 0.00 -1.05 -4.85 105.19 97.85 1bni n GLY 61 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1bni n GLY 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bni h LYS 62 N -0.62 0.00 -6.30 1.61 2.10 -1.93 -3.45 116.57 107.98 1bni h LYS 62 Ca -0.39 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.73 1bni h LYS 62 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 1bni h LYS 62 CO 0.41 0.77 -0.27 -0.51 -2.00 0.00 0.00 179.45 177.85 1bni s LEU 63 N -6.56 4.18 -0.12 7.07 1.43 -1.26 -4.94 118.68 118.48 1bni s LEU 63 Ca 0.02 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.36 1bni s LEU 63 Cb 0.09 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1bni s LEU 63 CO 0.79 -0.08 1.51 -2.16 0.23 0.00 0.00 176.35 176.65 1bni s PRO 64 N -3.28 4.13 0.08 1.29 0.04 -1.26 -5.03 135.00 130.97 1bni s PRO 64 Ca 0.41 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1bni s PRO 64 Cb -0.11 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.45 1bni s PRO 64 CO 0.28 -0.88 0.73 0.20 0.04 0.00 0.00 177.00 177.38 1bni s GLY 65 N 3.03 2.80 -0.05 0.56 0.00 -1.26 -5.08 107.32 107.31 1bni s GLY 65 Ca 0.67 0.25 -0.15 0.00 0.00 0.00 0.00 44.72 45.49 1bni s GLY 65 CO 0.24 0.93 0.34 1.25 0.00 0.00 0.00 173.10 175.86 1bni s LYS 66 N -0.49 0.60 0.06 2.90 2.20 -1.26 -5.09 119.74 118.66 1bni s LYS 66 Ca 0.36 0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.71 1bni s LYS 66 Cb -0.21 0.27 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 1bni s LYS 66 CO 0.23 -0.15 1.23 0.45 -0.36 0.00 0.00 175.35 176.75 1bni s SER 67 N -0.84 7.04 0.00 1.43 0.15 -1.26 -1.62 113.70 118.61 1bni s SER 67 Ca -0.09 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1bni s SER 67 Cb -0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1bni s SER 67 CO 0.03 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1bni n GLY 68 N 3.27 0.64 3.74 9.45 0.00 -1.26 -5.03 105.19 116.01 1bni n GLY 68 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.12 4.44 0.06 1.61 3.52 -0.64 -4.94 118.95 122.88 1bni s ARG 69 Ca 0.00 0.96 0.05 0.00 -0.13 0.00 0.00 55.73 56.62 1bni s ARG 69 Cb 0.00 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1bni s ARG 69 CO 0.00 0.26 -0.15 -0.08 -0.81 0.00 0.00 175.30 174.52 1bni s THR 70 N 0.07 1.20 -0.09 4.11 -1.32 -1.26 -4.77 115.64 113.58 1bni s THR 70 Ca 0.37 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.58 1bni s THR 70 Cb -0.19 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1bni s THR 70 CO 0.21 -0.11 0.11 0.26 -2.21 0.00 0.00 174.62 172.88 1bni s TRP 71 N -1.09 3.47 0.15 9.09 0.52 -1.26 -1.15 118.94 128.66 1bni s TRP 71 Ca 0.01 0.41 0.05 0.00 0.02 0.00 0.00 56.10 56.58 1bni s TRP 71 Cb -0.09 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1bni s TRP 71 CO 0.02 0.65 -0.11 1.03 0.02 0.00 0.00 176.95 178.56 1bni s ARG 72 N -1.16 1.07 0.21 4.98 0.52 0.46 0.16 118.95 125.19 1bni s ARG 72 Ca 0.17 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.03 1bni s ARG 72 Cb -0.12 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 1bni s ARG 72 CO 0.06 0.10 -0.09 -1.83 0.02 0.00 0.00 175.30 173.57 1bni s GLU 73 N -3.47 1.29 -0.20 3.54 -1.05 -0.66 -1.40 118.70 116.76 1bni s GLU 73 Ca 0.15 -1.60 -0.15 0.00 -0.15 0.00 0.00 54.97 53.22 1bni s GLU 73 Cb 0.00 -0.89 0.06 0.00 -0.44 0.00 0.00 34.13 32.86 1bni s GLU 73 CO 0.02 0.07 0.51 0.00 0.95 0.00 0.00 175.26 176.81 1bni s ALA 74 N -3.17 -1.29 0.11 -0.84 0.00 -1.07 0.13 121.76 115.63 1bni s ALA 74 Ca 0.23 1.61 -0.31 0.00 0.00 0.00 0.00 51.96 53.50 1bni s ALA 74 Cb 0.02 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 1bni s ALA 74 CO 0.06 -0.27 1.24 -0.51 0.00 0.00 0.00 175.76 176.29 1bni s ASP 75 N 0.80 7.02 -0.05 0.00 1.11 0.07 -1.33 116.67 124.30 1bni s ASP 75 Ca -0.04 2.15 0.02 0.00 0.18 0.00 0.00 52.55 54.86 1bni s ASP 75 Cb -0.05 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1bni s ASP 75 CO -0.06 -0.48 -0.08 -0.63 1.18 0.00 0.00 175.17 175.09 1bni s ILE 76 N 0.74 3.61 -1.50 0.77 -1.09 -0.51 -4.66 121.20 118.57 1bni s ILE 76 Ca 0.58 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1bni s ILE 76 Cb -0.32 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1bni s ILE 76 CO 0.32 0.54 0.00 0.59 -1.23 0.00 0.00 174.94 175.16 1bni n ASN 77 N 2.05 -4.76 -4.78 3.58 3.02 0.97 -4.48 115.26 110.86 1bni n ASN 77 Ca -0.17 0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1bni n ASN 77 Cb 0.53 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 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 -2.65 3.76 0.00 3.10 5.04 -1.26 -4.90 117.35 120.44 1bni s TYR 78 Ca 0.00 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1bni s TYR 78 Cb 0.00 -2.63 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1bni s TYR 78 CO 0.00 0.44 0.00 0.25 -1.34 0.00 0.00 175.55 174.90 1bni n THR 79 N 2.25 0.00 -3.63 4.34 -2.24 -1.26 -4.95 114.28 108.79 1bni n THR 79 Ca -0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1bni n THR 79 Cb 0.50 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.13 -0.28 0.00 3.42 1.04 -1.26 -4.68 113.70 108.81 1bni s SER 80 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1bni s SER 80 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1bni s SER 80 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1bni n GLY 81 N -0.37 -1.34 3.76 7.32 0.00 -1.24 -4.87 105.19 108.44 1bni n GLY 81 Ca -0.08 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 2.51 0.51 1.61 0.40 -1.26 -4.47 117.98 117.28 1bni s PHE 82 Ca 0.00 1.52 -0.22 0.00 -0.60 0.00 0.00 56.93 57.62 1bni s PHE 82 Cb 0.00 -3.44 -0.06 0.00 0.51 0.00 0.00 43.02 40.03 1bni s PHE 82 CO 0.00 -2.00 1.27 1.03 0.70 0.00 0.00 175.22 176.22 1bni s ARG 83 N -3.22 3.42 0.00 0.44 0.52 -1.26 -5.01 118.95 113.85 1bni s ARG 83 Ca 0.74 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 1bni s ARG 83 Cb -0.29 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1bni s ARG 83 CO 0.32 -0.90 0.00 0.27 0.02 0.00 0.00 175.30 175.01 1bni n ASN 84 N -0.77 0.00 -1.09 0.23 0.23 -1.26 -5.04 115.26 107.56 1bni n ASN 84 Ca 0.09 -0.87 0.08 0.00 -0.53 0.00 0.00 54.58 53.36 1bni n ASN 84 Cb 0.46 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.42 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 -2.60 3.81 -4.65 0.53 3.41 -1.26 -4.95 113.62 107.90 1bni n SER 85 Ca 0.00 -2.28 -0.40 0.00 -0.26 0.00 0.00 58.87 55.93 1bni n SER 85 Cb 0.00 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.11 6.68 0.01 4.04 1.01 -1.26 -3.08 116.67 122.95 1bni s ASP 86 Ca 0.39 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.48 1bni s ASP 86 Cb 0.24 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 1bni s ASP 86 CO 0.21 -0.30 -0.02 -0.13 0.21 0.00 0.00 175.17 175.13 1bni s ARG 87 N 2.06 0.20 -0.18 8.23 1.81 0.17 -1.42 118.95 129.82 1bni s ARG 87 Ca 0.29 -0.34 -0.07 0.00 -1.72 0.00 0.00 55.73 53.89 1bni s ARG 87 Cb -0.16 0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 1bni s ARG 87 CO 0.10 -0.01 0.05 -1.50 -0.68 0.00 0.00 175.30 173.26 1bni s ILE 88 N -0.77 4.66 -0.16 1.52 2.07 -0.44 -0.94 121.20 127.14 1bni s ILE 88 Ca -0.08 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 1bni s ILE 88 Cb -0.05 -3.10 0.01 0.00 0.13 0.00 0.00 42.46 39.45 1bni s ILE 88 CO -0.00 0.46 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.53 1bni s LEU 89 N 0.42 2.22 -0.03 8.50 1.02 0.79 -2.60 118.68 128.99 1bni s LEU 89 Ca 0.02 -0.59 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1bni s LEU 89 Cb -0.13 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1bni s LEU 89 CO 0.01 0.05 -0.10 -0.72 0.02 0.00 0.00 176.35 175.60 1bni s TYR 90 N 1.02 1.08 0.50 0.29 1.13 -0.49 -0.63 117.35 120.25 1bni s TYR 90 Ca -0.02 -0.30 0.05 0.00 -1.41 0.00 0.00 57.07 55.39 1bni s TYR 90 Cb -0.15 -0.78 0.03 0.00 -1.10 0.00 0.00 41.96 39.96 1bni s TYR 90 CO -0.06 -0.14 0.69 -1.54 -2.51 0.00 0.00 175.55 171.99 1bni s SER 91 N 0.30 5.42 0.40 -0.18 1.04 -0.64 -0.40 113.70 119.64 1bni s SER 91 Ca -0.05 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1bni s SER 91 Cb -0.10 -0.71 0.81 0.00 0.10 0.00 0.00 66.02 66.11 1bni s SER 91 CO 0.01 -1.00 2.04 0.77 0.98 0.00 0.00 173.24 176.04 1bni h SER 92 N 0.31 0.50 0.38 7.02 4.64 -1.48 -1.44 113.55 123.47 1bni h SER 92 Ca -0.41 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1bni h SER 92 Cb 1.29 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1bni h SER 92 CO 0.48 0.38 -0.23 -0.90 -0.87 0.00 0.00 176.83 175.70 1bni n ASP 93 N -4.45 0.67 -0.23 4.97 5.75 -1.26 -4.99 116.55 117.01 1bni n ASP 93 Ca 0.03 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1bni n ASP 93 Cb 0.08 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.96 0.00 -2.81 2.11 5.03 -0.54 -5.06 117.44 115.20 1bni n TRP 94 Ca 0.11 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.23 1bni n TRP 94 Cb 0.32 -0.96 -0.03 0.00 -1.03 0.00 0.00 31.31 29.60 1bni n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1bni s LEU 95 N -0.47 4.28 -0.16 -0.99 1.43 -1.26 -4.87 118.68 116.64 1bni s LEU 95 Ca 0.00 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1bni s LEU 95 Cb 0.00 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1bni s LEU 95 CO 0.00 -0.31 -0.19 -0.63 0.23 0.00 0.00 176.35 175.45 1bni s ILE 96 N 1.49 2.25 0.30 -0.59 1.01 -0.62 -1.62 121.20 123.42 1bni s ILE 96 Ca 0.45 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 60.31 1bni s ILE 96 Cb -0.19 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1bni s ILE 96 CO 0.20 0.53 -0.16 -0.31 0.00 0.00 0.00 174.94 175.20 1bni s TYR 97 N 1.03 2.28 0.08 3.97 1.51 0.20 -0.52 117.35 125.91 1bni s TYR 97 Ca -0.01 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1bni s TYR 97 Cb -0.14 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1bni s TYR 97 CO -0.06 0.64 -0.13 -1.59 -1.11 0.00 0.00 175.55 173.30 1bni s LYS 98 N -3.56 0.84 -0.08 -0.62 -2.85 -0.24 -0.15 119.74 113.07 1bni s LYS 98 Ca 0.30 -1.00 -0.05 0.00 -1.00 0.00 0.00 55.97 54.22 1bni s LYS 98 Cb -0.02 -0.79 0.04 0.00 -2.06 0.00 0.00 37.83 35.00 1bni s LYS 98 CO 0.15 0.17 0.20 -0.08 0.10 0.00 0.00 175.35 175.89 1bni s THR 99 N -1.50 -0.03 0.00 3.79 -1.32 -0.12 -1.56 115.64 114.89 1bni s THR 99 Ca -0.00 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1bni s THR 99 Cb -0.09 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1bni s THR 99 CO 0.02 0.05 0.00 0.35 -2.21 0.00 0.00 174.62 172.83 1bni n THR 100 N 3.84 0.00 -1.12 5.08 -2.24 -1.25 0.46 114.28 119.05 1bni n THR 100 Ca -0.22 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 1bni n THR 100 Cb 0.54 0.79 0.14 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.95 4.82 -3.41 3.42 5.75 -1.26 -4.48 116.55 120.45 1bni n ASP 101 Ca 0.00 -3.54 -0.17 0.00 -0.01 0.00 0.00 54.79 51.06 1bni n ASP 101 Cb 0.00 -0.87 0.08 0.00 -1.03 0.00 0.00 41.12 39.30 1bni n ASP 101 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1bni n HIS 102 N -0.94 -2.25 -1.65 2.11 -0.00 -1.18 -3.03 115.22 108.29 1bni n HIS 102 Ca 0.56 0.88 -0.18 0.00 -0.00 0.00 0.00 57.72 58.98 1bni n HIS 102 Cb 1.31 -4.62 -0.07 0.00 -0.00 0.00 0.00 29.99 26.61 1bni n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bni n TYR 103 N -3.84 -0.14 -0.04 1.57 4.02 -1.26 -4.91 117.16 112.56 1bni n TYR 103 Ca -0.21 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.47 1bni n TYR 103 Cb 0.65 -3.15 -0.13 0.00 -0.02 0.00 0.00 39.34 36.70 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 0.00 0.15 -6.77 -0.72 4.20 -1.96 -3.47 115.11 106.54 1bni h GLN 104 Ca -0.38 -0.25 -0.68 0.00 0.06 0.00 0.00 58.65 57.41 1bni h GLN 104 Cb 1.19 0.09 -0.20 0.00 0.30 0.00 0.00 27.48 28.87 1bni h GLN 104 CO 0.53 1.12 -0.83 0.95 -0.67 0.00 0.00 178.83 179.93 1bni s THR 105 N -2.45 2.47 -0.01 -0.54 -4.23 -1.26 -5.06 115.64 104.56 1bni s THR 105 Ca -0.24 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1bni s THR 105 Cb 0.06 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1bni s THR 105 CO 0.69 0.03 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.32 1bni s PHE 106 N -1.26 1.12 -0.09 3.99 0.08 -1.26 -4.41 117.98 116.16 1bni s PHE 106 Ca 0.17 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1bni s PHE 106 Cb -0.10 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 1bni s PHE 106 CO 0.08 -0.02 -0.11 0.99 -0.10 0.00 0.00 175.22 176.06 1bni s THR 107 N -0.31 1.16 0.17 0.64 2.01 -0.60 -4.97 115.64 113.75 1bni s THR 107 Ca 0.05 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1bni s THR 107 Cb -0.05 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.29 1bni s THR 107 CO -0.00 0.37 1.19 -0.75 -0.69 0.00 0.00 174.62 174.74 1bni s LYS 108 N 1.05 4.49 0.00 4.92 2.20 -1.26 -1.08 119.74 130.06 1bni s LYS 108 Ca -0.07 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1bni s LYS 108 Cb -0.15 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1bni s LYS 108 CO -0.01 -0.09 0.00 0.44 -0.36 0.00 0.00 175.35 175.33 1bni n ILE 109 N 2.65 0.00 -1.69 5.43 -5.35 0.33 -4.94 119.36 115.79 1bni n ILE 109 Ca 0.05 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1bni n ILE 109 Cb 0.45 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 1bni n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33