#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 nan 4.87 -0.03 0.00 1.01 -1.26 -4.93 121.20 nan 1bao s ILE 4 Ca nan 0.74 0.16 0.00 0.00 0.00 0.00 60.65 nan 1bao s ILE 4 Cb nan -4.08 0.27 0.00 0.01 0.00 0.00 42.46 nan 1bao s ILE 4 CO nan -0.28 1.12 -0.46 0.00 0.00 0.00 174.94 nan 1bao n ASN 5 N 6.07 0.18 -4.68 3.58 6.94 -1.26 -4.81 115.26 121.28 1bao n ASN 5 Ca -0.00 -2.01 -0.28 0.00 -0.02 0.00 0.00 54.58 52.27 1bao n ASN 5 Cb 0.49 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.78 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 -0.22 3.90 0.21 5.53 -4.23 -1.26 -0.62 115.64 118.94 1bao s THR 6 Ca 0.20 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 1bao s THR 6 Cb 0.24 -2.92 0.18 0.00 1.34 0.00 0.00 72.50 71.34 1bao s THR 6 CO -0.10 -0.01 1.68 -0.26 -0.54 0.00 0.00 174.62 175.39 1bao h PHE 7 N 2.99 0.05 -0.05 3.99 0.04 -1.99 0.03 116.94 122.00 1bao h PHE 7 Ca -0.47 0.04 -0.20 0.00 2.80 0.00 0.00 57.97 60.14 1bao h PHE 7 Cb 1.19 0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.42 1bao h PHE 7 CO 0.61 -0.11 -0.75 -0.44 -0.60 0.00 0.00 178.31 177.02 1bao h ASP 8 N 0.16 0.74 -0.43 2.17 3.32 -1.98 -1.61 116.42 118.80 1bao h ASP 8 Ca 0.31 -0.71 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1bao h ASP 8 Cb 0.49 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1bao h ASP 8 CO -0.47 1.34 0.16 1.23 -1.72 0.00 0.00 179.24 179.79 1bao h GLY 9 N 0.21 0.70 0.71 2.75 0.00 -1.89 -2.39 103.07 103.16 1bao h GLY 9 Ca -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1bao h GLY 9 CO 0.15 0.37 -0.18 -2.08 0.00 0.00 0.00 176.54 174.80 1bao h VAL 10 N 0.55 1.37 -0.44 4.60 2.07 -1.08 -1.38 116.25 121.95 1bao h VAL 10 Ca 0.14 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1bao h VAL 10 Cb 0.21 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.91 1bao h VAL 10 CO -0.01 0.41 -0.30 0.00 0.02 0.00 0.00 177.57 177.69 1bao h ALA 11 N 0.55 -0.10 -0.13 1.67 0.00 -1.28 0.58 119.26 120.55 1bao h ALA 11 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bao h ALA 11 Cb 0.74 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1bao h ALA 11 CO 0.04 -0.68 0.05 -0.44 0.00 0.00 0.00 179.25 178.21 1bao h ASP 12 N -0.21 0.19 -0.57 0.00 3.32 -1.48 -2.47 116.42 115.20 1bao h ASP 12 Ca 0.19 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1bao h ASP 12 Cb 0.53 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1bao h ASP 12 CO -0.56 0.32 0.33 0.22 -1.72 0.00 0.00 179.24 177.83 1bao h TYR 13 N 0.04 0.62 -0.31 4.55 5.03 -0.78 -2.97 116.97 123.15 1bao h TYR 13 Ca 0.04 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1bao h TYR 13 Cb 0.20 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 1bao h TYR 13 CO -0.01 0.34 0.12 -0.07 -1.32 0.00 0.00 178.16 177.22 1bao h LEU 14 N 0.65 0.15 -1.59 2.82 3.38 0.59 -1.75 115.31 119.55 1bao h LEU 14 Ca 0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1bao h LEU 14 Cb 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1bao h LEU 14 CO -0.12 0.12 -0.02 1.56 0.09 0.00 0.00 178.44 180.07 1bao h GLN 15 N 0.26 0.23 0.01 1.13 4.20 -1.36 0.74 115.11 120.33 1bao h GLN 15 Ca 0.13 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 1bao h GLN 15 Cb 0.09 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1bao h GLN 15 CO -0.12 0.28 -1.40 2.41 -0.67 0.00 0.00 178.83 179.33 1bao n THR 16 N -4.38 1.55 0.97 -0.54 -1.04 -1.13 -4.55 114.28 105.15 1bao n THR 16 Ca -0.01 -0.08 0.11 0.00 -2.04 0.00 0.00 64.05 62.03 1bao n THR 16 Cb 0.18 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 66.65 1bao n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bao n TYR 17 N -4.38 0.01 -3.55 -1.42 4.01 -0.66 -5.02 117.16 106.15 1bao n TYR 17 Ca -0.34 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.14 1bao n TYR 17 Cb 0.71 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.53 -2.28 -3.59 -0.72 8.25 0.26 -4.93 115.22 110.68 1bao n HIS 18 Ca 0.04 0.77 -0.06 0.00 -0.26 0.00 0.00 57.72 58.21 1bao n HIS 18 Cb 0.34 -4.16 -0.02 0.00 1.12 0.00 0.00 29.99 27.27 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 -6.25 0.85 0.45 -0.41 0.00 -1.26 -5.06 119.74 108.06 1bao s LYS 19 Ca 0.53 -0.38 -0.09 0.00 0.00 0.00 0.00 55.97 56.03 1bao s LYS 19 Cb -0.25 0.35 -0.05 0.00 0.00 0.00 0.00 37.83 37.87 1bao s LYS 19 CO 0.65 -0.38 0.80 -0.51 0.00 0.00 0.00 175.35 175.91 1bao s LEU 20 N -2.62 3.72 0.79 2.77 1.43 -1.26 -4.30 118.68 119.21 1bao s LEU 20 Ca 0.08 1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 1bao s LEU 20 Cb -0.01 -4.01 0.07 0.00 0.03 0.00 0.00 46.19 42.27 1bao s LEU 20 CO -0.05 -0.49 1.21 -2.16 0.23 0.00 0.00 176.35 175.08 1bao s PRO 21 N -4.22 1.78 0.25 1.29 0.04 -1.26 -4.88 135.00 127.99 1bao s PRO 21 Ca 0.50 1.75 0.13 0.00 0.04 0.00 0.00 61.00 63.43 1bao s PRO 21 Cb -0.10 -1.79 0.69 0.00 0.04 0.00 0.00 34.50 33.34 1bao s PRO 21 CO 0.37 -2.11 1.32 -0.25 0.04 0.00 0.00 177.00 176.37 1bao n ASP 22 N -3.14 0.33 -0.34 6.66 8.00 -1.26 -2.35 116.55 124.45 1bao n ASP 22 Ca 0.13 0.58 0.03 0.00 0.71 0.00 0.00 54.79 56.24 1bao n ASP 22 Cb 0.50 -0.58 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1bao n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bao n ASN 23 N -1.96 0.97 -4.76 -2.24 6.94 -1.26 -4.84 115.26 108.11 1bao n ASN 23 Ca -0.01 -2.01 -0.35 0.00 -0.02 0.00 0.00 54.58 52.20 1bao n ASN 23 Cb 0.18 -0.13 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.76 3.31 -0.04 -2.53 2.02 -0.99 -0.58 117.35 116.78 1bao s TYR 24 Ca 0.12 0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1bao s TYR 24 Cb 0.06 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1bao s TYR 24 CO 0.08 0.56 0.10 0.96 -1.57 0.00 0.00 175.55 175.68 1bao s ILE 25 N -1.03 0.01 0.91 2.71 -4.36 -0.88 -4.93 121.20 113.63 1bao s ILE 25 Ca 0.17 -0.06 -0.14 0.00 -0.26 0.00 0.00 60.65 60.36 1bao s ILE 25 Cb -0.12 -0.17 0.15 0.00 1.25 0.00 0.00 42.46 43.58 1bao s ILE 25 CO 0.07 -0.03 1.26 0.42 0.24 0.00 0.00 174.94 176.89 1bao s THR 26 N -0.05 1.99 0.37 8.37 -4.23 -1.06 -0.71 115.64 120.31 1bao s THR 26 Ca -0.01 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 1bao s THR 26 Cb -0.01 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1bao s THR 26 CO 0.00 0.00 2.01 0.11 -0.54 0.00 0.00 174.62 176.20 1bao h LYS 27 N -1.44 0.71 -0.33 3.99 1.57 -1.96 -2.38 116.57 116.72 1bao h LYS 27 Ca -0.45 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.12 1bao h LYS 27 Cb 1.28 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1bao h LYS 27 CO 0.49 0.47 -0.44 0.77 -0.57 0.00 0.00 179.45 180.17 1bao h SER 28 N 0.73 0.94 -0.20 0.86 0.02 -1.99 -2.17 113.55 111.74 1bao h SER 28 Ca 0.23 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1bao h SER 28 Cb 0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1bao h SER 28 CO -0.06 1.24 0.04 -0.33 -1.14 0.00 0.00 176.83 176.58 1bao h GLU 29 N 0.69 0.33 -0.38 3.45 5.08 -1.91 -1.00 114.58 120.85 1bao h GLU 29 Ca 0.04 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1bao h GLU 29 Cb 1.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1bao h GLU 29 CO 0.10 0.47 0.24 0.00 -1.00 0.00 0.00 179.01 178.82 1bao h ALA 30 N 0.85 0.48 -0.66 3.43 0.00 -1.37 -2.78 119.26 119.21 1bao h ALA 30 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1bao h ALA 30 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1bao h ALA 30 CO 0.00 -0.08 0.42 1.96 0.00 0.00 0.00 179.25 181.56 1bao h GLN 31 N 0.50 0.82 -0.00 0.00 4.20 -1.27 -1.79 115.11 117.56 1bao h GLN 31 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1bao h GLN 31 Cb -0.04 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1bao h GLN 31 CO -0.04 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1bao h ALA 32 N 1.27 1.64 0.00 3.87 0.00 -1.00 0.31 119.26 125.35 1bao h ALA 32 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bao h ALA 32 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bao h ALA 32 CO -0.08 -0.00 -0.51 1.28 0.00 0.00 0.00 179.25 179.94 1bao n LEU 33 N -4.00 0.51 0.00 0.00 4.77 -0.73 -4.95 117.00 112.60 1bao n LEU 33 Ca -0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1bao n LEU 33 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1bao n LEU 33 CO 0.29 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1bao n GLY 34 N 1.46 1.05 3.75 -0.72 0.00 0.11 -4.97 105.19 105.87 1bao n GLY 34 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 3.34 -0.29 1.61 -0.00 -0.87 -4.96 118.94 115.76 1bao s TRP 35 Ca 0.00 1.43 0.03 0.00 -0.00 0.00 0.00 56.10 57.56 1bao s TRP 35 Cb 0.00 -3.50 0.08 0.00 -0.00 0.00 0.00 33.47 30.05 1bao s TRP 35 CO 0.00 -1.38 -0.04 0.08 -0.00 0.00 0.00 176.95 175.61 1bao s VAL 36 N -0.47 2.27 0.23 5.86 1.01 -1.26 -4.55 120.40 123.48 1bao s VAL 36 Ca 0.51 -1.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.52 1bao s VAL 36 Cb -0.35 -2.47 0.21 0.00 0.00 0.00 0.00 36.38 33.76 1bao s VAL 36 CO 0.41 -0.26 1.69 0.00 0.00 0.00 0.00 175.10 176.94 1bao h ALA 37 N 7.73 0.81 0.00 5.51 0.00 -1.99 -0.38 119.26 130.94 1bao h ALA 37 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bao h ALA 37 Cb 1.03 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bao h ALA 37 CO 0.49 -0.34 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1bao n SER 38 N -5.17 0.00 -0.21 0.00 7.64 -1.26 -2.27 113.62 112.34 1bao n SER 38 Ca 0.11 0.47 0.06 0.00 1.01 0.00 0.00 58.87 60.52 1bao n SER 38 Cb 0.40 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.48 2.23 -3.17 1.43 5.02 -0.18 -5.03 118.16 116.98 1bao n LYS 39 Ca 0.03 -0.53 -0.23 0.00 -2.02 0.00 0.00 58.31 55.57 1bao n LYS 39 Cb 0.15 -1.12 0.04 0.00 -0.02 0.00 0.00 35.03 34.08 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 1.03 -0.53 1.15 0.72 0.00 -0.96 -4.93 105.19 101.67 1bao n GLY 40 Ca 0.04 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.63 4.34 -0.34 1.61 6.94 -1.25 -3.43 115.26 120.50 1bao n ASN 41 Ca -0.08 -2.95 0.02 0.00 -0.02 0.00 0.00 54.58 51.55 1bao n ASN 41 Cb 0.60 -0.57 0.16 0.00 -2.36 0.00 0.00 39.78 37.61 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 2.42 0.95 -2.01 -4.53 5.85 -1.88 0.22 115.31 116.32 1bao h LEU 42 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bao h LEU 42 Cb 1.55 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1bao h LEU 42 CO 0.28 0.61 -0.06 0.00 -0.34 0.00 0.00 178.44 178.92 1bao h ALA 43 N 1.43 1.12 0.09 1.25 0.00 -1.83 0.44 119.26 121.76 1bao h ALA 43 Ca 0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1bao h ALA 43 Cb 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bao h ALA 43 CO -0.17 0.08 -0.49 -0.44 0.00 0.00 0.00 179.25 178.22 1bao h ASP 44 N 0.00 0.28 0.11 0.00 3.32 -0.97 -3.15 116.42 116.01 1bao h ASP 44 Ca -0.00 -0.97 -0.26 0.00 0.02 0.00 0.00 57.03 55.82 1bao h ASP 44 Cb 0.32 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.80 1bao h ASP 44 CO 0.01 1.24 -1.04 -0.37 -1.72 0.00 0.00 179.24 177.35 1bao h VAL 45 N -0.62 1.31 -2.56 -1.35 -1.51 -1.02 -3.40 116.25 107.09 1bao h VAL 45 Ca -0.09 -2.33 -0.59 0.00 -1.23 0.00 0.00 66.70 62.46 1bao h VAL 45 Cb 1.39 2.43 -0.39 0.00 -2.13 0.00 0.00 31.29 32.59 1bao h VAL 45 CO 0.09 0.71 -0.88 0.00 -1.23 0.00 0.00 177.57 176.27 1bao s ALA 46 N -3.26 1.53 0.19 5.19 0.00 0.15 -5.06 121.76 120.51 1bao s ALA 46 Ca -0.09 -2.40 -0.32 0.00 0.00 0.00 0.00 51.96 49.16 1bao s ALA 46 Cb 0.07 -1.68 -0.11 0.00 0.00 0.00 0.00 23.12 21.40 1bao s ALA 46 CO 0.91 -2.04 1.68 -2.14 0.00 0.00 0.00 175.76 174.18 1bao s PRO 47 N 0.29 4.15 0.00 0.00 0.02 -1.19 -2.06 135.00 136.21 1bao s PRO 47 Ca 0.26 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1bao s PRO 47 Cb -0.09 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1bao s PRO 47 CO -0.11 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1bao n GLY 48 N 3.93 0.77 3.91 0.52 0.00 -1.26 -5.04 105.19 108.01 1bao n GLY 48 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.33 3.58 0.09 1.61 3.01 -0.88 -4.80 119.74 122.02 1bao s LYS 49 Ca 0.00 -0.17 0.03 0.00 -1.01 0.00 0.00 55.97 54.82 1bao s LYS 49 Cb 0.00 -2.82 -0.03 0.00 -1.01 0.00 0.00 37.83 33.96 1bao s LYS 49 CO 0.00 0.42 -0.09 -1.12 0.51 0.00 0.00 175.35 175.06 1bao s SER 50 N -2.78 1.31 0.06 2.83 0.01 0.25 -4.82 113.70 110.56 1bao s SER 50 Ca 0.40 -0.80 -0.28 0.00 1.31 0.00 0.00 55.95 56.58 1bao s SER 50 Cb -0.12 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1bao s SER 50 CO 0.27 -0.29 0.88 -0.63 0.41 0.00 0.00 173.24 173.88 1bao s ILE 51 N -2.47 4.68 -0.27 1.44 -1.09 -1.26 -2.08 121.20 120.15 1bao s ILE 51 Ca 0.04 1.88 -0.35 0.00 -2.23 0.00 0.00 60.65 59.99 1bao s ILE 51 Cb -0.03 -4.23 0.17 0.00 -1.58 0.00 0.00 42.46 36.79 1bao s ILE 51 CO -0.01 0.30 1.35 -0.83 -1.23 0.00 0.00 174.94 174.52 1bao s GLY 52 N 0.22 -0.12 0.00 6.18 0.00 0.11 0.09 107.32 113.80 1bao s GLY 52 Ca 0.44 2.17 0.00 0.00 0.00 0.00 0.00 44.72 47.33 1bao s GLY 52 CO 0.26 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1bao n GLY 53 N 0.16 0.79 3.83 0.20 0.00 0.66 -2.57 105.19 108.26 1bao n GLY 53 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.37 6.87 0.34 1.61 1.01 -1.20 -4.71 116.67 118.21 1bao s ASP 54 Ca 0.00 1.63 -0.29 0.00 0.71 0.00 0.00 52.55 54.60 1bao s ASP 54 Cb 0.00 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 1bao s ASP 54 CO 0.00 -0.38 1.51 -0.63 0.21 0.00 0.00 175.17 175.88 1bao s ILE 55 N -2.23 2.12 -0.25 0.77 1.01 -1.26 -0.90 121.20 120.46 1bao s ILE 55 Ca 0.61 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 1bao s ILE 55 Cb -0.09 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1bao s ILE 55 CO 0.16 0.02 -0.04 0.12 0.00 0.00 0.00 174.94 175.20 1bao s PHE 56 N -0.71 3.05 -0.07 3.97 5.36 -0.39 -4.82 117.98 124.37 1bao s PHE 56 Ca 0.56 -1.38 0.31 0.00 -0.96 0.00 0.00 56.93 55.46 1bao s PHE 56 Cb -0.46 -2.09 1.17 0.00 -0.34 0.00 0.00 43.02 41.30 1bao s PHE 56 CO 0.57 -0.68 1.89 0.66 -1.46 0.00 0.00 175.22 176.20 1bao h SER 57 N 8.06 0.00 -4.50 6.13 4.64 -1.94 -3.38 113.55 122.56 1bao h SER 57 Ca -0.34 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.57 1bao h SER 57 Cb 1.12 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.27 1bao h SER 57 CO 0.58 0.00 -0.61 -3.20 -0.87 0.00 0.00 176.83 172.73 1bao n ASN 58 N -2.95 -6.14 0.09 4.97 5.15 -1.26 -4.90 115.26 110.22 1bao n ASN 58 Ca 0.01 -0.29 -0.12 0.00 -0.60 0.00 0.00 54.58 53.59 1bao n ASN 58 Cb 0.33 -4.96 -0.07 0.00 -0.53 0.00 0.00 39.78 34.55 1bao n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bao h ARG 59 N -1.40 -0.52 0.00 1.20 0.11 -2.00 0.15 114.38 111.92 1bao h ARG 59 Ca -0.53 0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1bao h ARG 59 Cb 1.37 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.57 1bao h ARG 59 CO 0.57 -0.35 0.00 0.39 0.10 0.00 0.00 179.97 180.69 1bao n GLU 60 N -4.54 0.00 -3.12 0.08 1.02 -1.26 -4.80 120.64 108.02 1bao n GLU 60 Ca -0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 1bao n GLU 60 Cb 0.29 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.82 -0.48 0.16 0.62 0.00 0.53 -4.80 105.19 100.40 1bao n GLY 61 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.43 0.00 -6.30 1.61 6.56 -1.87 -3.44 116.57 112.70 1bao h LYS 62 Ca -0.27 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.66 1bao h LYS 62 Cb 1.18 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.73 1bao h LYS 62 CO 0.37 0.00 -0.65 -0.51 -2.06 0.00 0.00 179.45 176.59 1bao s LEU 63 N -5.12 3.51 -0.13 2.94 1.43 -1.26 -4.97 118.68 115.07 1bao s LEU 63 Ca 0.07 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1bao s LEU 63 Cb 0.10 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1bao s LEU 63 CO 0.57 0.19 1.81 -2.16 0.23 0.00 0.00 176.35 176.99 1bao s PRO 64 N -2.19 3.81 0.81 1.29 0.04 -1.26 -4.99 135.00 132.52 1bao s PRO 64 Ca 0.25 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1bao s PRO 64 Cb -0.12 -4.12 0.08 0.00 0.04 0.00 0.00 34.50 30.38 1bao s PRO 64 CO 0.17 -1.30 1.11 0.20 0.04 0.00 0.00 177.00 177.22 1bao s GLY 65 N 4.89 1.61 0.00 0.56 0.00 -1.26 -5.09 107.32 108.03 1bao s GLY 65 Ca 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1bao s GLY 65 CO 0.33 0.17 0.00 1.17 0.00 0.00 0.00 173.10 174.77 1bao n LYS 66 N -3.47 0.00 -1.61 2.90 4.81 -1.26 -5.06 118.16 114.48 1bao n LYS 66 Ca 0.07 0.00 -0.52 0.00 -0.87 0.00 0.00 58.31 56.98 1bao n LYS 66 Cb 0.57 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.56 1bao n LYS 66 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bao n SER 67 N 0.00 1.79 -2.24 3.14 2.88 -1.26 0.53 113.62 118.46 1bao n SER 67 Ca 0.00 1.11 -0.17 0.00 -1.33 0.00 0.00 58.87 58.48 1bao n SER 67 Cb 0.00 -1.19 0.02 0.00 -0.75 0.00 0.00 64.21 62.28 1bao n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bao n GLY 68 N 2.75 -0.28 3.32 0.46 0.00 -1.26 -4.98 105.19 105.20 1bao n GLY 68 Ca 0.19 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.24 3.38 0.12 1.61 3.52 0.19 -4.93 118.95 117.61 1bao s ARG 69 Ca 0.16 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.22 1bao s ARG 69 Cb -0.07 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1bao s ARG 69 CO 0.20 -0.16 -0.13 -0.08 -0.81 0.00 0.00 175.30 174.32 1bao s THR 70 N 1.37 3.12 0.02 4.11 -1.32 -1.26 -4.73 115.64 116.95 1bao s THR 70 Ca 0.04 -1.43 0.04 0.00 -1.21 0.00 0.00 61.69 59.13 1bao s THR 70 Cb -0.14 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 1bao s THR 70 CO -0.03 0.07 -0.08 0.26 -2.21 0.00 0.00 174.62 172.63 1bao s TRP 71 N -1.27 2.83 0.13 9.09 0.52 -1.26 -2.41 118.94 126.58 1bao s TRP 71 Ca 0.21 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1bao s TRP 71 Cb -0.10 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1bao s TRP 71 CO 0.12 0.36 -0.02 1.03 0.02 0.00 0.00 176.95 178.47 1bao s ARG 72 N -1.52 0.95 0.25 4.98 0.52 0.11 -1.26 118.95 122.98 1bao s ARG 72 Ca 0.17 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.98 1bao s ARG 72 Cb -0.11 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 1bao s ARG 72 CO 0.08 -0.11 0.02 -1.83 0.02 0.00 0.00 175.30 173.49 1bao s GLU 73 N -3.91 1.38 -0.19 3.54 -1.05 -0.07 -0.49 118.70 117.92 1bao s GLU 73 Ca 0.19 -1.72 -0.21 0.00 -0.15 0.00 0.00 54.97 53.07 1bao s GLU 73 Cb 0.06 -0.57 0.06 0.00 -0.44 0.00 0.00 34.13 33.24 1bao s GLU 73 CO -0.00 -0.15 0.59 0.00 0.95 0.00 0.00 175.26 176.65 1bao s ALA 74 N -3.48 -1.47 0.23 -0.84 0.00 -0.83 -0.24 121.76 115.13 1bao s ALA 74 Ca 0.31 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 1bao s ALA 74 Cb 0.07 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 1bao s ALA 74 CO 0.10 -0.29 1.07 -0.51 0.00 0.00 0.00 175.76 176.13 1bao s ASP 75 N 0.07 7.34 0.06 0.00 1.11 0.11 -1.31 116.67 124.06 1bao s ASP 75 Ca -0.02 2.13 0.09 0.00 0.18 0.00 0.00 52.55 54.93 1bao s ASP 75 Cb -0.04 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1bao s ASP 75 CO 0.02 -0.12 -0.24 -0.63 1.18 0.00 0.00 175.17 175.38 1bao s ILE 76 N -0.79 1.99 -1.29 0.77 -1.09 -0.46 -4.74 121.20 115.59 1bao s ILE 76 Ca 0.46 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1bao s ILE 76 Cb -0.30 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 1bao s ILE 76 CO 0.37 0.25 0.00 0.59 -1.23 0.00 0.00 174.94 174.92 1bao n ASN 77 N 1.61 -4.40 -4.79 3.58 3.02 0.20 -4.60 115.26 109.88 1bao n ASN 77 Ca -0.17 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 1bao n ASN 77 Cb 0.53 -3.24 -0.06 0.00 -0.61 0.00 0.00 39.78 36.39 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 -2.54 3.60 0.00 3.10 5.36 -1.26 -4.93 117.98 121.31 1bao s PHE 78 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1bao s PHE 78 Cb 0.00 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.37 1bao s PHE 78 CO 0.00 0.46 0.00 0.25 -1.46 0.00 0.00 175.22 174.47 1bao n THR 79 N 2.66 0.00 -3.65 0.12 -2.24 -1.26 -4.94 114.28 104.97 1bao n THR 79 Ca -0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1bao n THR 79 Cb 0.52 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 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 -4.15 -0.23 0.00 3.42 1.04 -1.26 -4.77 113.70 107.75 1bao s SER 80 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1bao s SER 80 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1bao s SER 80 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1bao n GLY 81 N -0.38 -0.58 3.79 7.32 0.00 -1.22 -4.86 105.19 109.26 1bao n GLY 81 Ca -0.07 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 2.91 0.28 1.61 0.08 -1.26 -4.43 117.98 117.17 1bao s PHE 82 Ca 0.00 1.57 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 1bao s PHE 82 Cb 0.00 -3.12 -0.13 0.00 -0.57 0.00 0.00 43.02 39.20 1bao s PHE 82 CO 0.00 -1.02 1.30 0.54 -0.10 0.00 0.00 175.22 175.93 1bao n ARG 83 N -1.08 1.92 -0.22 0.44 1.74 -1.26 -4.99 116.66 113.20 1bao n ARG 83 Ca 0.10 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1bao n ARG 83 Cb 0.52 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1bao n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bao n ASN 84 N 1.56 0.00 -1.23 0.55 0.23 -1.26 -5.01 115.26 110.09 1bao n ASN 84 Ca 0.09 -0.61 0.10 0.00 -0.53 0.00 0.00 54.58 53.64 1bao n ASN 84 Cb 0.33 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.32 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 -1.83 3.82 -4.66 0.53 3.41 -1.26 -4.93 113.62 108.70 1bao n SER 85 Ca 0.00 -2.03 -0.38 0.00 -0.26 0.00 0.00 58.87 56.19 1bao n SER 85 Cb 0.00 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 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 -1.00 6.43 0.05 4.04 1.01 -1.26 -1.44 116.67 124.51 1bao s ASP 86 Ca 0.44 0.51 0.00 0.00 0.71 0.00 0.00 52.55 54.22 1bao s ASP 86 Cb 0.24 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1bao s ASP 86 CO 0.29 -0.11 -0.04 -0.13 0.21 0.00 0.00 175.17 175.39 1bao s ARG 87 N 1.49 0.58 -0.11 8.23 1.81 -0.45 -1.36 118.95 129.14 1bao s ARG 87 Ca 0.19 -1.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.13 1bao s ARG 87 Cb -0.15 0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 1bao s ARG 87 CO 0.08 -0.06 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.10 1bao s ILE 88 N -3.01 3.82 -0.11 1.52 2.07 -0.42 -1.23 121.20 123.82 1bao s ILE 88 Ca 0.01 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.87 1bao s ILE 88 Cb 0.01 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 39.99 1bao s ILE 88 CO -0.06 0.55 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.53 1bao s LEU 89 N -0.24 2.12 0.00 8.50 2.01 -0.30 -1.97 118.68 128.80 1bao s LEU 89 Ca 0.04 -0.57 0.01 0.00 0.01 0.00 0.00 54.13 53.62 1bao s LEU 89 Cb -0.13 -1.43 -0.00 0.00 0.01 0.00 0.00 46.19 44.64 1bao s LEU 89 CO 0.02 0.13 -0.04 -0.72 1.01 0.00 0.00 176.35 176.76 1bao s TYR 90 N 0.50 0.35 0.29 0.29 1.13 0.36 -0.67 117.35 119.60 1bao s TYR 90 Ca -0.15 -0.11 0.06 0.00 -1.41 0.00 0.00 57.07 55.46 1bao s TYR 90 Cb -0.17 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1bao s TYR 90 CO 0.05 -0.02 0.39 -1.54 -2.51 0.00 0.00 175.55 171.92 1bao s SER 91 N -0.24 6.04 0.56 -0.18 1.04 -0.83 0.06 113.70 120.16 1bao s SER 91 Ca 0.00 -0.10 0.27 0.00 0.48 0.00 0.00 55.95 56.60 1bao s SER 91 Cb -0.02 -1.51 1.49 0.00 0.10 0.00 0.00 66.02 66.08 1bao s SER 91 CO -0.00 -0.23 2.00 0.77 0.98 0.00 0.00 173.24 176.75 1bao h SER 92 N 1.09 0.00 -0.62 7.02 4.64 -1.83 0.77 113.55 124.62 1bao h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1bao h SER 92 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1bao h SER 92 CO 0.57 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1bao n ASP 93 N -4.03 3.74 -1.96 4.97 5.75 -1.26 -4.97 116.55 118.80 1bao n ASP 93 Ca 0.07 -2.15 -0.11 0.00 -0.01 0.00 0.00 54.79 52.59 1bao n ASP 93 Cb 0.54 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.23 -1.36 -3.23 2.11 7.02 0.27 -5.04 117.44 118.43 1bao n TRP 94 Ca 0.22 0.48 -0.39 0.00 -1.02 0.00 0.00 57.50 56.79 1bao n TRP 94 Cb 0.64 -2.91 -0.06 0.00 -2.42 0.00 0.00 31.31 26.56 1bao n TRP 94 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1bao s LEU 95 N -3.98 4.37 -0.10 -0.99 2.96 -1.26 -4.87 118.68 114.82 1bao s LEU 95 Ca 0.27 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 1bao s LEU 95 Cb -0.12 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.71 1bao s LEU 95 CO 0.34 0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.63 1bao s ILE 96 N 0.09 1.61 0.34 6.68 -1.09 -1.03 -1.96 121.20 125.83 1bao s ILE 96 Ca 0.30 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 58.05 1bao s ILE 96 Cb -0.17 -1.44 -0.07 0.00 -1.58 0.00 0.00 42.46 39.20 1bao s ILE 96 CO 0.15 0.46 -0.02 -0.31 -1.23 0.00 0.00 174.94 174.00 1bao s TYR 97 N 0.69 2.21 0.05 3.97 1.51 0.16 -1.13 117.35 124.81 1bao s TYR 97 Ca -0.12 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.19 1bao s TYR 97 Cb -0.16 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1bao s TYR 97 CO 0.03 0.33 0.04 -1.59 -1.11 0.00 0.00 175.55 173.25 1bao s LYS 98 N -3.74 0.61 0.03 -0.62 0.00 -0.13 -1.15 119.74 114.75 1bao s LYS 98 Ca 0.33 -0.97 0.01 0.00 0.00 0.00 0.00 55.97 55.35 1bao s LYS 98 Cb 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 37.83 38.10 1bao s LYS 98 CO 0.15 -0.14 -0.05 -0.08 0.00 0.00 0.00 175.35 175.23 1bao s THR 99 N -3.24 0.30 -0.00 3.79 -1.32 -0.37 -1.26 115.64 113.54 1bao s THR 99 Ca 0.00 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 59.53 1bao s THR 99 Cb 0.03 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1bao s THR 99 CO -0.07 -0.44 0.73 0.35 -2.21 0.00 0.00 174.62 172.97 1bao n THR 100 N 1.57 0.42 -2.14 5.08 -2.24 -1.26 -1.34 114.28 114.37 1bao n THR 100 Ca -0.23 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 1bao n THR 100 Cb 0.55 0.75 0.09 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.23 2.26 -2.86 3.42 5.68 -1.15 -4.45 116.55 119.22 1bao n ASP 101 Ca 0.01 -3.06 -0.13 0.00 -0.50 0.00 0.00 54.79 51.10 1bao n ASP 101 Cb 0.43 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.53 -1.72 -1.58 2.11 8.25 -0.52 -3.05 115.22 118.19 1bao n HIS 102 Ca 0.20 0.72 -0.18 0.00 -0.26 0.00 0.00 57.72 58.20 1bao n HIS 102 Cb 0.89 -4.34 -0.07 0.00 1.12 0.00 0.00 29.99 27.59 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 -3.48 -0.06 0.09 4.41 4.01 -1.26 -4.88 117.16 115.99 1bao n TYR 103 Ca -0.20 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.36 1bao n TYR 103 Cb 0.62 -3.07 -0.14 0.00 -0.31 0.00 0.00 39.34 36.43 1bao n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bao h GLN 104 N 0.00 0.30 -3.72 -0.72 4.20 -1.94 -3.47 115.11 109.76 1bao h GLN 104 Ca -0.37 -0.51 -0.12 0.00 0.06 0.00 0.00 58.65 57.71 1bao h GLN 104 Cb 1.17 0.19 -0.18 0.00 0.30 0.00 0.00 27.48 28.96 1bao h GLN 104 CO 0.53 1.20 -0.49 0.95 -0.67 0.00 0.00 178.83 180.35 1bao s THR 105 N -2.63 0.12 0.02 -0.54 -4.23 -1.26 -5.12 115.64 102.01 1bao s THR 105 Ca -0.07 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1bao s THR 105 Cb 0.07 -0.85 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1bao s THR 105 CO 0.88 -0.55 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.95 1bao s PHE 106 N -2.46 0.79 -0.09 3.99 0.08 -1.26 -4.35 117.98 114.68 1bao s PHE 106 Ca -0.06 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1bao s PHE 106 Cb -0.02 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1bao s PHE 106 CO -0.04 -0.02 -0.21 0.99 -0.10 0.00 0.00 175.22 175.85 1bao s THR 107 N -0.72 1.81 0.17 0.64 2.01 -0.39 -4.94 115.64 114.23 1bao s THR 107 Ca -0.02 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1bao s THR 107 Cb -0.06 -1.58 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 1bao s THR 107 CO 0.00 0.50 1.35 -0.75 -0.69 0.00 0.00 174.62 175.04 1bao s LYS 108 N 0.44 4.35 0.00 4.92 2.20 -1.26 -0.95 119.74 129.43 1bao s LYS 108 Ca -0.18 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 57.53 1bao s LYS 108 Cb -0.17 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1bao s LYS 108 CO 0.07 -0.33 0.04 0.44 -0.36 0.00 0.00 175.35 175.21 1bao n ILE 109 N 3.08 0.00 -1.76 5.43 -5.35 -0.28 -4.91 119.36 115.56 1bao n ILE 109 Ca 0.08 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1bao n ILE 109 Cb 0.42 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1bao n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33