#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bao s ILE 4 N 0.00 4.92 0.00 0.00 1.01 -1.26 -4.89 121.20 120.97 1bao s ILE 4 Ca 0.00 -0.69 0.21 0.00 0.00 0.00 0.00 60.65 60.17 1bao s ILE 4 Cb 0.00 -4.32 0.35 0.00 0.01 0.00 0.00 42.46 38.51 1bao s ILE 4 CO 0.00 -0.84 1.14 -0.46 0.00 0.00 0.00 174.94 174.77 1bao n ASN 5 N 6.05 0.68 -4.82 3.58 6.94 -1.26 -4.77 115.26 121.65 1bao n ASN 5 Ca -0.08 -1.99 -0.22 0.00 -0.02 0.00 0.00 54.58 52.27 1bao n ASN 5 Cb 0.44 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1bao n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bao s THR 6 N 0.00 4.10 0.12 5.53 -4.23 -1.26 -0.98 115.64 118.92 1bao s THR 6 Ca 0.28 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.11 1bao s THR 6 Cb 0.32 -3.31 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1bao s THR 6 CO -0.14 -0.29 1.64 -0.26 -0.54 0.00 0.00 174.62 175.03 1bao h PHE 7 N 1.43 -0.67 -0.12 3.99 0.04 -1.98 -0.74 116.94 118.89 1bao h PHE 7 Ca -0.47 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 1bao h PHE 7 Cb 1.24 0.29 -0.00 0.00 2.20 0.00 0.00 35.95 39.68 1bao h PHE 7 CO 0.55 -0.34 -0.10 -0.44 -0.60 0.00 0.00 178.31 177.38 1bao h ASP 8 N -0.40 0.30 -0.76 2.17 3.32 -1.98 0.23 116.42 119.31 1bao h ASP 8 Ca 0.05 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.68 1bao h ASP 8 Cb 0.47 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1bao h ASP 8 CO -0.20 0.69 0.48 1.23 -1.72 0.00 0.00 179.24 179.72 1bao h GLY 9 N -0.09 1.10 1.30 2.75 0.00 -1.94 -1.15 103.07 105.04 1bao h GLY 9 Ca 0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.74 1bao h GLY 9 CO 0.03 0.31 -0.97 -2.08 0.00 0.00 0.00 176.54 173.82 1bao h VAL 10 N 0.94 1.31 -0.44 4.60 2.07 -1.14 -0.76 116.25 122.82 1bao h VAL 10 Ca 0.30 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.59 1bao h VAL 10 Cb 0.02 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1bao h VAL 10 CO -0.11 0.69 0.26 0.00 0.02 0.00 0.00 177.57 178.43 1bao h ALA 11 N 0.53 0.56 -0.35 1.67 0.00 -0.70 -1.78 119.26 119.20 1bao h ALA 11 Ca -0.10 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1bao h ALA 11 Cb 1.62 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1bao h ALA 11 CO 0.19 -0.07 -0.44 -0.44 0.00 0.00 0.00 179.25 178.49 1bao h ASP 12 N 0.51 0.97 -0.59 0.00 3.32 -1.26 -2.71 116.42 116.66 1bao h ASP 12 Ca 0.18 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1bao h ASP 12 Cb 0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1bao h ASP 12 CO -0.09 1.27 0.37 0.22 -1.72 0.00 0.00 179.24 179.28 1bao h TYR 13 N 0.72 0.77 -0.47 4.55 5.03 -0.71 -2.83 116.97 124.03 1bao h TYR 13 Ca 0.04 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 1bao h TYR 13 Cb 1.04 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 1bao h TYR 13 CO 0.06 0.52 0.14 -0.07 -1.32 0.00 0.00 178.16 177.49 1bao h LEU 14 N 0.80 0.64 -0.66 2.82 3.38 -1.26 0.10 115.31 121.13 1bao h LEU 14 Ca 0.21 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1bao h LEU 14 Cb -0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1bao h LEU 14 CO -0.04 0.62 -0.66 1.56 0.09 0.00 0.00 178.44 180.01 1bao h GLN 15 N 0.68 0.05 0.00 1.13 4.20 -1.35 -2.32 115.11 117.50 1bao h GLN 15 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1bao h GLN 15 Cb 0.22 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1bao h GLN 15 CO -0.01 0.69 -0.32 1.15 -0.67 0.00 0.00 178.83 179.67 1bao h THR 16 N 0.04 0.00 0.00 -0.54 2.02 -1.39 -3.42 112.91 109.62 1bao h THR 16 Ca -0.01 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1bao h THR 16 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1bao h THR 16 CO 0.09 0.00 -0.13 -1.22 0.37 0.00 0.00 175.52 174.63 1bao n TYR 17 N -3.79 0.34 -2.80 3.16 4.01 0.35 -4.96 117.16 113.47 1bao n TYR 17 Ca -0.05 0.10 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 1bao n TYR 17 Cb 0.17 -0.62 0.01 0.00 -0.31 0.00 0.00 39.34 38.59 1bao n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bao n HIS 18 N -1.80 -1.59 -3.78 -0.72 8.25 -0.87 -4.96 115.22 109.76 1bao n HIS 18 Ca 0.06 0.29 -0.08 0.00 -0.26 0.00 0.00 57.72 57.74 1bao n HIS 18 Cb 0.38 -3.96 -0.02 0.00 1.12 0.00 0.00 29.99 27.50 1bao n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bao s LYS 19 N -5.46 1.66 0.44 -0.41 -2.85 -1.26 -5.05 119.74 106.82 1bao s LYS 19 Ca 0.18 -0.88 -0.17 0.00 -1.00 0.00 0.00 55.97 54.10 1bao s LYS 19 Cb -0.09 0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 1bao s LYS 19 CO 0.23 -0.76 0.91 -0.51 0.10 0.00 0.00 175.35 175.32 1bao s LEU 20 N -2.89 3.83 0.94 2.77 1.43 -1.26 -4.03 118.68 119.47 1bao s LEU 20 Ca 0.09 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1bao s LEU 20 Cb -0.05 -4.39 0.13 0.00 0.03 0.00 0.00 46.19 41.90 1bao s LEU 20 CO 0.03 -0.43 0.93 -2.65 0.23 0.00 0.00 176.35 174.47 1bao n PRO 21 N -1.03 -0.55 0.00 1.29 -0.02 -1.26 -4.86 135.00 128.57 1bao n PRO 21 Ca 0.06 -0.10 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1bao n PRO 21 Cb 0.54 -2.22 0.16 0.00 -0.02 0.00 0.00 33.50 31.96 1bao n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bao n ASP 22 N -3.49 0.00 -0.64 2.55 5.68 -1.26 -2.73 116.55 116.66 1bao n ASP 22 Ca 0.10 0.46 0.03 0.00 -0.50 0.00 0.00 54.79 54.88 1bao n ASP 22 Cb 0.53 -0.48 0.11 0.00 -1.14 0.00 0.00 41.12 40.14 1bao n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1bao n ASN 23 N -1.48 1.75 -4.48 -1.12 6.94 -1.26 -4.86 115.26 110.75 1bao n ASN 23 Ca 0.02 -2.13 -0.31 0.00 -0.02 0.00 0.00 54.58 52.14 1bao n ASN 23 Cb 0.09 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.04 1bao n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bao s TYR 24 N -1.62 2.60 0.05 -2.53 1.51 -1.10 -1.89 117.35 114.37 1bao s TYR 24 Ca 0.15 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1bao s TYR 24 Cb 0.10 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1bao s TYR 24 CO 0.07 0.27 -0.03 0.96 -1.11 0.00 0.00 175.55 175.72 1bao s ILE 25 N -0.94 0.21 0.78 2.71 -4.36 -0.70 -4.88 121.20 114.02 1bao s ILE 25 Ca 0.15 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 58.65 1bao s ILE 25 Cb -0.11 -1.55 0.12 0.00 1.25 0.00 0.00 42.46 42.18 1bao s ILE 25 CO 0.06 -0.97 1.09 0.42 0.24 0.00 0.00 174.94 175.77 1bao s THR 26 N -3.93 2.16 0.21 8.37 -4.23 -1.23 -0.28 115.64 116.73 1bao s THR 26 Ca 0.08 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1bao s THR 26 Cb 0.08 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 71.21 1bao s THR 26 CO -0.09 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 175.89 1bao h LYS 27 N -0.86 0.61 -0.26 3.99 1.57 -1.97 -2.11 116.57 117.54 1bao h LYS 27 Ca -0.42 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1bao h LYS 27 Cb 1.28 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1bao h LYS 27 CO 0.48 0.40 0.09 0.77 -0.57 0.00 0.00 179.45 180.62 1bao h SER 28 N 0.63 0.11 -0.54 0.86 0.02 -1.99 -1.30 113.55 111.33 1bao h SER 28 Ca 0.31 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1bao h SER 28 Cb 0.25 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1bao h SER 28 CO -0.21 0.10 0.34 -0.33 -1.14 0.00 0.00 176.83 175.58 1bao h GLU 29 N 0.21 0.65 -0.46 3.45 5.08 -1.86 -1.73 114.58 119.92 1bao h GLU 29 Ca 0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1bao h GLU 29 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1bao h GLU 29 CO -0.11 0.43 0.21 0.00 -1.00 0.00 0.00 179.01 178.53 1bao h ALA 30 N 1.23 0.60 -0.06 3.43 0.00 -0.96 -2.66 119.26 120.83 1bao h ALA 30 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bao h ALA 30 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1bao h ALA 30 CO -0.09 0.18 -0.05 1.96 0.00 0.00 0.00 179.25 181.25 1bao h GLN 31 N 0.60 -0.05 -0.96 0.00 4.20 -0.95 0.11 115.11 118.07 1bao h GLN 31 Ca 0.16 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.00 1bao h GLN 31 Cb 0.14 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1bao h GLN 31 CO -0.02 -0.03 0.61 0.00 -0.67 0.00 0.00 178.83 178.72 1bao h ALA 32 N 1.00 1.61 0.00 3.87 0.00 -1.23 0.41 119.26 124.93 1bao h ALA 32 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bao h ALA 32 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bao h ALA 32 CO -0.10 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1bao n LEU 33 N -4.60 0.39 0.00 0.00 4.77 -1.01 -4.87 117.00 111.68 1bao n LEU 33 Ca 0.18 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1bao n LEU 33 Cb 0.38 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1bao n LEU 33 CO 0.28 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1bao n GLY 34 N 0.53 1.30 3.72 -0.72 0.00 0.14 -4.93 105.19 105.23 1bao n GLY 34 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1bao n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bao s TRP 35 N -2.00 3.49 -0.32 1.61 -0.00 0.36 -4.97 118.94 117.11 1bao s TRP 35 Ca 0.00 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 57.51 1bao s TRP 35 Cb 0.00 -3.36 0.08 0.00 -0.00 0.00 0.00 33.47 30.19 1bao s TRP 35 CO 0.00 -1.03 0.01 0.08 -0.00 0.00 0.00 176.95 176.01 1bao s VAL 36 N 0.86 2.47 0.27 5.86 1.01 -1.26 -4.41 120.40 125.19 1bao s VAL 36 Ca 0.56 -1.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 1bao s VAL 36 Cb -0.28 -2.63 0.32 0.00 0.00 0.00 0.00 36.38 33.79 1bao s VAL 36 CO 0.30 -0.35 1.62 0.00 0.00 0.00 0.00 175.10 176.67 1bao h ALA 37 N 7.77 1.00 0.00 5.51 0.00 -2.00 -1.04 119.26 130.50 1bao h ALA 37 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bao h ALA 37 Cb 1.04 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bao h ALA 37 CO 0.52 -0.47 0.00 0.43 0.00 0.00 0.00 179.25 179.74 1bao n SER 38 N -5.35 0.55 -0.07 0.00 7.64 -1.26 -2.31 113.62 112.82 1bao n SER 38 Ca 0.18 0.69 0.04 0.00 1.01 0.00 0.00 58.87 60.79 1bao n SER 38 Cb 0.59 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 1bao n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bao n LYS 39 N -2.17 3.37 -3.92 1.43 5.02 -0.42 -5.04 118.16 116.43 1bao n LYS 39 Ca 0.01 -0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 55.82 1bao n LYS 39 Cb 0.13 -0.98 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 1bao n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bao n GLY 40 N 1.11 -0.42 1.58 0.72 0.00 -0.98 -4.89 105.19 102.31 1bao n GLY 40 Ca 0.02 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1bao n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bao n ASN 41 N -2.87 4.71 -0.22 1.61 6.94 -1.26 -3.88 115.26 120.28 1bao n ASN 41 Ca -0.06 -2.40 0.03 0.00 -0.02 0.00 0.00 54.58 52.14 1bao n ASN 41 Cb 0.57 -0.57 0.14 0.00 -2.36 0.00 0.00 39.78 37.56 1bao n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bao h LEU 42 N 4.15 -0.05 -1.81 -4.53 5.85 -1.88 0.03 115.31 117.07 1bao h LEU 42 Ca 0.00 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1bao h LEU 42 Cb 1.41 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1bao h LEU 42 CO 0.21 -0.04 0.14 0.00 -0.34 0.00 0.00 178.44 178.41 1bao h ALA 43 N 1.56 1.88 0.04 1.25 0.00 -1.84 0.21 119.26 122.35 1bao h ALA 43 Ca 0.37 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.01 1bao h ALA 43 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1bao h ALA 43 CO -0.48 0.10 -1.05 -0.44 0.00 0.00 0.00 179.25 177.38 1bao h ASP 44 N 0.26 0.65 0.17 0.00 3.32 -1.39 -3.15 116.42 116.29 1bao h ASP 44 Ca 0.08 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1bao h ASP 44 Cb 0.01 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1bao h ASP 44 CO -0.02 1.37 -1.01 1.33 -1.72 0.00 0.00 179.24 179.19 1bao n VAL 45 N -3.75 0.03 -2.88 -1.35 0.24 -0.63 -4.58 118.33 105.42 1bao n VAL 45 Ca -0.09 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1bao n VAL 45 Cb 0.89 0.63 0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1bao n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bao n ALA 46 N -1.63 -0.20 -1.63 2.33 0.00 0.66 -4.94 120.51 115.10 1bao n ALA 46 Ca 0.03 -2.00 -0.48 0.00 0.00 0.00 0.00 53.44 50.99 1bao n ALA 46 Cb 0.37 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1bao n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bao n PRO 47 N 1.23 1.71 -0.98 0.00 -0.04 -1.19 -1.75 135.00 133.98 1bao n PRO 47 Ca 0.12 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1bao n PRO 47 Cb 0.63 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1bao n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bao n GLY 48 N 2.67 0.85 3.78 0.55 0.00 -1.26 -5.02 105.19 106.76 1bao n GLY 48 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1bao n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bao s LYS 49 N -0.06 2.80 0.09 1.61 -0.14 -0.72 -4.54 119.74 118.78 1bao s LYS 49 Ca 0.00 -1.05 0.06 0.00 -1.36 0.00 0.00 55.97 53.62 1bao s LYS 49 Cb 0.00 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 1bao s LYS 49 CO 0.00 0.42 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.73 1bao s SER 50 N -3.53 2.00 0.13 2.83 0.01 -0.79 -4.82 113.70 109.52 1bao s SER 50 Ca 0.32 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1bao s SER 50 Cb -0.08 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1bao s SER 50 CO 0.23 -0.04 1.05 -0.63 0.41 0.00 0.00 173.24 174.26 1bao s ILE 51 N -1.34 4.18 -0.28 1.44 -1.09 -1.26 -1.72 121.20 121.13 1bao s ILE 51 Ca 0.02 1.80 -0.32 0.00 -2.23 0.00 0.00 60.65 59.92 1bao s ILE 51 Cb -0.09 -4.15 0.18 0.00 -1.58 0.00 0.00 42.46 36.81 1bao s ILE 51 CO 0.03 0.27 1.36 -0.83 -1.23 0.00 0.00 174.94 174.54 1bao s GLY 52 N 0.10 -0.02 0.00 6.18 0.00 0.62 -1.33 107.32 112.87 1bao s GLY 52 Ca 0.49 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.71 1bao s GLY 52 CO 0.32 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1bao n GLY 53 N 0.32 0.59 3.85 0.20 0.00 -0.29 -3.49 105.19 106.38 1bao n GLY 53 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1bao n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bao s ASP 54 N -2.00 5.95 0.23 1.61 1.01 -1.24 -4.78 116.67 117.46 1bao s ASP 54 Ca 0.00 1.49 -0.30 0.00 0.71 0.00 0.00 52.55 54.46 1bao s ASP 54 Cb 0.00 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.36 1bao s ASP 54 CO 0.00 -1.06 1.01 -0.63 0.21 0.00 0.00 175.17 174.70 1bao s ILE 55 N -3.12 3.91 -0.19 0.77 1.09 -1.26 -1.07 121.20 121.34 1bao s ILE 55 Ca 0.56 1.86 -0.03 0.00 -1.10 0.00 0.00 60.65 61.94 1bao s ILE 55 Cb -0.12 -4.18 -0.01 0.00 -1.06 0.00 0.00 42.46 37.09 1bao s ILE 55 CO 0.54 0.41 -0.07 0.12 -0.10 0.00 0.00 174.94 175.84 1bao s PHE 56 N -0.96 2.92 0.10 3.97 5.36 -0.02 -4.83 117.98 124.52 1bao s PHE 56 Ca 0.44 -0.86 -0.26 0.00 -0.96 0.00 0.00 56.93 55.28 1bao s PHE 56 Cb -0.28 -2.02 -0.13 0.00 -0.34 0.00 0.00 43.02 40.25 1bao s PHE 56 CO 0.35 -0.45 1.68 0.66 -1.46 0.00 0.00 175.22 176.01 1bao h SER 57 N 7.66 -0.39 -0.48 6.13 4.64 -1.96 -3.38 113.55 125.78 1bao h SER 57 Ca -0.37 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1bao h SER 57 Cb 1.17 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bao h SER 57 CO 0.60 -0.23 0.00 -3.20 -0.87 0.00 0.00 176.83 173.13 1bao n ASN 58 N -5.27 -1.20 -0.09 4.97 5.15 -1.26 -4.88 115.26 112.67 1bao n ASN 58 Ca -0.08 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.81 1bao n ASN 58 Cb 0.19 -0.36 -0.02 0.00 -0.53 0.00 0.00 39.78 39.06 1bao n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1bao h ARG 59 N 0.00 0.43 -0.37 1.20 9.65 -2.00 -2.57 114.38 120.72 1bao h ARG 59 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1bao h ARG 59 Cb 0.73 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1bao h ARG 59 CO 0.00 0.37 0.00 0.39 2.80 0.00 0.00 179.97 183.53 1bao n GLU 60 N -4.81 0.97 -0.15 0.20 1.02 -1.26 -4.93 120.64 111.69 1bao n GLU 60 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1bao n GLU 60 Cb 0.08 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1bao n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bao n GLY 61 N 0.30 0.00 0.46 0.62 0.00 -0.97 -4.87 105.19 100.72 1bao n GLY 61 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 1bao n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bao h LYS 62 N 0.00 0.17 -6.14 1.61 1.57 -1.92 -3.41 116.57 108.45 1bao h LYS 62 Ca 0.00 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.18 1bao h LYS 62 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1bao h LYS 62 CO 0.00 0.11 -0.28 -0.51 -0.57 0.00 0.00 179.45 178.21 1bao s LEU 63 N -8.94 4.30 0.17 2.94 1.43 -1.26 -5.00 118.68 112.32 1bao s LEU 63 Ca -0.07 0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 1bao s LEU 63 Cb 0.23 -3.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1bao s LEU 63 CO 0.79 0.11 1.51 -2.84 0.23 0.00 0.00 176.35 176.15 1bao s PRO 64 N -2.27 4.25 0.11 1.29 0.02 -1.26 -5.00 135.00 132.14 1bao s PRO 64 Ca 0.37 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.60 1bao s PRO 64 Cb -0.13 -3.17 -0.06 0.00 0.02 0.00 0.00 34.50 31.17 1bao s PRO 64 CO 0.21 -0.54 0.41 0.20 -0.33 0.00 0.00 177.00 176.95 1bao s GLY 65 N 1.00 2.30 -0.13 0.52 0.00 -1.26 -5.07 107.32 104.67 1bao s GLY 65 Ca 0.67 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 1bao s GLY 65 CO 0.33 -0.26 0.83 1.25 0.00 0.00 0.00 173.10 175.25 1bao s LYS 66 N -2.25 0.82 -0.00 2.90 2.20 -1.26 -5.10 119.74 117.05 1bao s LYS 66 Ca 0.37 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 1bao s LYS 66 Cb -0.13 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1bao s LYS 66 CO 0.20 -0.23 1.08 -1.54 -0.36 0.00 0.00 175.35 174.51 1bao s SER 67 N -0.90 7.22 0.00 1.43 1.04 -1.26 -2.63 113.70 118.60 1bao s SER 67 Ca -0.05 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1bao s SER 67 Cb -0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1bao s SER 67 CO 0.05 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1bao n GLY 68 N 3.09 0.83 3.71 7.32 0.00 -1.26 -5.05 105.19 113.84 1bao n GLY 68 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1bao n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bao s ARG 69 N -0.88 4.32 0.03 1.61 3.52 -1.08 -4.92 118.95 121.56 1bao s ARG 69 Ca 0.00 0.48 0.09 0.00 -0.13 0.00 0.00 55.73 56.17 1bao s ARG 69 Cb 0.00 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1bao s ARG 69 CO 0.00 0.09 -0.25 0.95 -0.81 0.00 0.00 175.30 175.28 1bao s THR 70 N 0.84 2.26 -0.03 4.11 -4.23 -1.26 -4.84 115.64 112.49 1bao s THR 70 Ca 0.27 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1bao s THR 70 Cb -0.15 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1bao s THR 70 CO 0.11 0.39 0.19 0.26 -0.54 0.00 0.00 174.62 175.03 1bao s TRP 71 N -0.80 3.56 0.11 3.99 0.52 -1.26 -2.22 118.94 122.85 1bao s TRP 71 Ca 0.12 0.42 0.06 0.00 0.02 0.00 0.00 56.10 56.72 1bao s TRP 71 Cb -0.10 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1bao s TRP 71 CO 0.02 0.66 -0.15 1.03 0.02 0.00 0.00 176.95 178.53 1bao s ARG 72 N -1.76 1.01 0.17 4.98 0.52 0.28 -0.84 118.95 123.32 1bao s ARG 72 Ca 0.25 -1.19 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 1bao s ARG 72 Cb -0.13 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 1bao s ARG 72 CO 0.16 0.19 -0.18 -1.83 0.02 0.00 0.00 175.30 173.67 1bao s GLU 73 N -2.43 1.29 -0.09 3.54 -1.05 -0.23 -1.16 118.70 118.57 1bao s GLU 73 Ca 0.07 -1.45 -0.20 0.00 -0.15 0.00 0.00 54.97 53.24 1bao s GLU 73 Cb -0.06 -1.30 0.05 0.00 -0.44 0.00 0.00 34.13 32.37 1bao s GLU 73 CO 0.03 0.26 0.48 0.00 0.95 0.00 0.00 175.26 176.98 1bao s ALA 74 N -2.22 -1.23 0.28 -0.84 0.00 -0.57 -1.14 121.76 116.05 1bao s ALA 74 Ca 0.17 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 1bao s ALA 74 Cb -0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 1bao s ALA 74 CO 0.07 -0.28 0.93 -0.51 0.00 0.00 0.00 175.76 175.97 1bao s ASP 75 N -0.67 7.49 0.08 0.00 1.11 -0.44 -0.79 116.67 123.45 1bao s ASP 75 Ca -0.08 1.88 0.09 0.00 0.18 0.00 0.00 52.55 54.63 1bao s ASP 75 Cb -0.03 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1bao s ASP 75 CO 0.04 0.06 -0.25 -0.63 1.18 0.00 0.00 175.17 175.57 1bao s ILE 76 N -1.39 2.07 -0.99 0.77 -1.09 -0.46 -4.72 121.20 115.39 1bao s ILE 76 Ca 0.45 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1bao s ILE 76 Cb -0.22 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1bao s ILE 76 CO 0.28 0.20 0.00 0.59 -1.23 0.00 0.00 174.94 174.78 1bao n ASN 77 N 1.41 -4.71 -4.75 3.58 3.02 -0.15 -4.55 115.26 109.11 1bao n ASN 77 Ca -0.18 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 1bao n ASN 77 Cb 0.53 -3.03 -0.05 0.00 -0.61 0.00 0.00 39.78 36.62 1bao n ASN 77 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bao s PHE 78 N -2.15 3.81 0.00 3.10 5.36 -1.26 -4.92 117.98 121.92 1bao s PHE 78 Ca 0.00 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1bao s PHE 78 Cb 0.00 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1bao s PHE 78 CO 0.00 0.34 0.00 0.25 -1.46 0.00 0.00 175.22 174.35 1bao n THR 79 N 2.39 0.00 -3.84 0.12 -2.24 -1.26 -4.92 114.28 104.53 1bao n THR 79 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1bao n THR 79 Cb 0.49 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1bao n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bao s SER 80 N -4.19 -0.19 0.00 3.42 1.04 -1.26 -4.78 113.70 107.74 1bao s SER 80 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1bao s SER 80 Cb 0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1bao s SER 80 CO 0.00 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.44 1bao n GLY 81 N -0.48 -0.74 3.81 7.32 0.00 -1.25 -4.91 105.19 108.93 1bao n GLY 81 Ca -0.05 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1bao n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bao s PHE 82 N 0.00 3.06 0.62 1.61 0.08 -1.26 -4.37 117.98 117.73 1bao s PHE 82 Ca 0.00 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.42 1bao s PHE 82 Cb 0.00 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 1bao s PHE 82 CO 0.00 -0.86 1.12 1.03 -0.10 0.00 0.00 175.22 176.41 1bao s ARG 83 N -3.66 2.99 0.00 0.44 0.52 -1.26 -4.99 118.95 112.98 1bao s ARG 83 Ca 0.65 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1bao s ARG 83 Cb -0.15 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1bao s ARG 83 CO 0.28 -1.12 0.00 0.27 0.02 0.00 0.00 175.30 174.75 1bao n ASN 84 N -2.02 0.20 -0.97 0.23 0.23 -1.26 -5.04 115.26 106.64 1bao n ASN 84 Ca 0.11 -0.75 0.09 0.00 -0.53 0.00 0.00 54.58 53.50 1bao n ASN 84 Cb 0.52 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.41 1bao n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bao n SER 85 N -2.10 3.23 -4.67 0.53 3.41 -1.26 -4.94 113.62 107.81 1bao n SER 85 Ca 0.00 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 1bao n SER 85 Cb 0.00 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1bao n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bao s ASP 86 N -1.20 6.48 -0.00 4.04 1.01 -1.26 -2.17 116.67 123.56 1bao s ASP 86 Ca 0.33 0.57 -0.05 0.00 0.71 0.00 0.00 52.55 54.11 1bao s ASP 86 Cb 0.19 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 1bao s ASP 86 CO 0.26 -0.09 0.11 -0.13 0.21 0.00 0.00 175.17 175.52 1bao s ARG 87 N 1.32 0.38 -0.15 8.23 1.81 -0.66 -1.35 118.95 128.54 1bao s ARG 87 Ca 0.21 -0.31 -0.04 0.00 -1.72 0.00 0.00 55.73 53.86 1bao s ARG 87 Cb -0.15 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1bao s ARG 87 CO 0.08 -0.08 -0.00 -1.50 -0.68 0.00 0.00 175.30 173.12 1bao s ILE 88 N -1.09 4.21 -0.19 1.52 2.07 0.03 -2.48 121.20 125.27 1bao s ILE 88 Ca -0.12 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1bao s ILE 88 Cb -0.07 -2.84 0.00 0.00 0.13 0.00 0.00 42.46 39.68 1bao s ILE 88 CO 0.01 0.51 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.67 1bao s LEU 89 N 0.07 2.56 -0.03 8.50 2.01 -0.17 -1.51 118.68 130.11 1bao s LEU 89 Ca 0.02 -0.49 0.02 0.00 0.01 0.00 0.00 54.13 53.69 1bao s LEU 89 Cb -0.13 -1.61 0.00 0.00 0.01 0.00 0.00 46.19 44.46 1bao s LEU 89 CO 0.02 0.02 -0.08 -0.72 1.01 0.00 0.00 176.35 176.59 1bao s TYR 90 N 1.23 0.91 0.64 0.29 1.13 -0.31 -0.26 117.35 120.98 1bao s TYR 90 Ca 0.03 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.43 1bao s TYR 90 Cb -0.14 -0.66 0.06 0.00 -1.10 0.00 0.00 41.96 40.12 1bao s TYR 90 CO -0.05 -0.11 0.91 -1.54 -2.51 0.00 0.00 175.55 172.25 1bao s SER 91 N 0.25 4.92 0.49 -0.18 1.04 -0.57 -0.56 113.70 119.09 1bao s SER 91 Ca -0.04 0.12 0.27 0.00 0.48 0.00 0.00 55.95 56.78 1bao s SER 91 Cb -0.09 -0.82 1.18 0.00 0.10 0.00 0.00 66.02 66.40 1bao s SER 91 CO 0.00 -1.46 1.93 0.77 0.98 0.00 0.00 173.24 175.47 1bao h SER 92 N -0.31 0.00 -0.43 7.02 4.64 -1.79 -1.83 113.55 120.84 1bao h SER 92 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1bao h SER 92 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bao h SER 92 CO 0.53 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 1bao n ASP 93 N -3.37 4.80 -2.31 4.97 5.75 -1.26 -4.97 116.55 120.15 1bao n ASP 93 Ca -0.00 -2.92 -0.18 0.00 -0.01 0.00 0.00 54.79 51.67 1bao n ASP 93 Cb 0.35 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.84 1bao n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bao n TRP 94 N 0.14 -1.25 -2.90 2.11 7.02 -0.69 -5.02 117.44 116.85 1bao n TRP 94 Ca 0.24 0.22 -0.40 0.00 -1.02 0.00 0.00 57.50 56.55 1bao n TRP 94 Cb 1.03 -3.77 -0.06 0.00 -2.42 0.00 0.00 31.31 26.09 1bao n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bao s LEU 95 N -5.44 4.61 -0.09 -0.99 1.43 -1.26 -4.83 118.68 112.12 1bao s LEU 95 Ca 0.13 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1bao s LEU 95 Cb -0.06 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.76 1bao s LEU 95 CO 0.16 0.19 -0.19 -0.63 0.23 0.00 0.00 176.35 176.10 1bao s ILE 96 N -1.14 1.69 0.11 -0.59 -1.09 -0.90 -1.51 121.20 117.77 1bao s ILE 96 Ca 0.38 -0.80 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1bao s ILE 96 Cb -0.24 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1bao s ILE 96 CO 0.28 0.48 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.04 1bao s TYR 97 N 0.48 1.25 0.21 3.97 1.51 0.63 -0.87 117.35 124.53 1bao s TYR 97 Ca -0.17 -0.58 0.10 0.00 -1.01 0.00 0.00 57.07 55.41 1bao s TYR 97 Cb -0.17 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1bao s TYR 97 CO 0.07 0.08 -0.19 -1.59 -1.11 0.00 0.00 175.55 172.80 1bao s LYS 98 N -2.62 1.44 0.00 -0.62 -2.85 0.14 -1.00 119.74 114.23 1bao s LYS 98 Ca 0.06 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.48 1bao s LYS 98 Cb -0.05 -1.52 -0.00 0.00 -2.06 0.00 0.00 37.83 34.20 1bao s LYS 98 CO 0.02 0.30 -0.00 -0.08 0.10 0.00 0.00 175.35 175.68 1bao s THR 99 N -2.22 0.02 -0.02 3.79 -1.32 -1.04 -1.50 115.64 113.34 1bao s THR 99 Ca 0.21 -0.09 0.03 0.00 -1.21 0.00 0.00 61.69 60.63 1bao s THR 99 Cb -0.05 -0.04 0.04 0.00 -1.51 0.00 0.00 72.50 70.94 1bao s THR 99 CO 0.09 -0.05 0.88 0.35 -2.21 0.00 0.00 174.62 173.68 1bao n THR 100 N 2.93 0.38 -2.05 5.08 -2.24 -1.24 -1.65 114.28 115.49 1bao n THR 100 Ca -0.13 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1bao n THR 100 Cb 0.59 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1bao n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bao n ASP 101 N -0.27 1.05 -3.14 3.42 5.68 -1.16 -4.63 116.55 117.51 1bao n ASP 101 Ca 0.02 -2.51 -0.14 0.00 -0.50 0.00 0.00 54.79 51.67 1bao n ASP 101 Cb 0.59 -0.34 0.07 0.00 -1.14 0.00 0.00 41.12 40.30 1bao n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bao n HIS 102 N -0.16 -2.27 -1.44 2.11 8.25 -0.92 -3.31 115.22 117.48 1bao n HIS 102 Ca 0.08 0.81 -0.16 0.00 -0.26 0.00 0.00 57.72 58.19 1bao n HIS 102 Cb 0.90 -4.09 -0.07 0.00 1.12 0.00 0.00 29.99 27.85 1bao n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bao n TYR 103 N -3.18 -0.19 0.15 4.41 4.02 -1.26 -4.88 117.16 116.24 1bao n TYR 103 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 1bao n TYR 103 Cb 0.62 -2.91 -0.07 0.00 -0.02 0.00 0.00 39.34 36.95 1bao n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bao h GLN 104 N 0.00 -0.41 -4.84 -0.72 4.20 -1.96 -3.46 115.11 107.92 1bao h GLN 104 Ca -0.32 0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.12 1bao h GLN 104 Cb 1.07 0.09 -0.18 0.00 0.30 0.00 0.00 27.48 28.77 1bao h GLN 104 CO 0.47 -0.08 -0.73 0.95 -0.67 0.00 0.00 178.83 178.77 1bao s THR 105 N -4.27 0.83 0.05 -0.54 -4.23 -1.26 -5.11 115.64 101.11 1bao s THR 105 Ca -0.13 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1bao s THR 105 Cb 0.02 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 1bao s THR 105 CO 0.49 -0.59 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.53 1bao s PHE 106 N -2.51 0.83 -0.01 3.99 0.08 -1.26 -4.41 117.98 114.70 1bao s PHE 106 Ca 0.04 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1bao s PHE 106 Cb -0.02 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 1bao s PHE 106 CO -0.01 -0.05 -0.00 0.95 -0.10 0.00 0.00 175.22 176.01 1bao s THR 107 N -1.44 0.06 0.17 0.64 -4.23 -0.56 -4.95 115.64 105.32 1bao s THR 107 Ca -0.07 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 1bao s THR 107 Cb -0.09 -0.09 -0.09 0.00 1.34 0.00 0.00 72.50 73.57 1bao s THR 107 CO 0.01 0.05 1.39 -0.75 -0.54 0.00 0.00 174.62 174.78 1bao s LYS 108 N 0.31 4.32 0.00 3.99 2.20 -1.26 0.26 119.74 129.56 1bao s LYS 108 Ca -0.03 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1bao s LYS 108 Cb -0.04 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1bao s LYS 108 CO -0.01 -0.40 0.00 0.44 -0.36 0.00 0.00 175.35 175.02 1bao n ILE 109 N 3.32 0.00 -1.44 5.43 -5.35 -0.04 -4.88 119.36 116.39 1bao n ILE 109 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1bao n ILE 109 Cb 0.42 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1bao n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33