#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bao n ASN 5 N 0.00 0.10 -4.97 4.38 6.94 -1.26 -4.80 115.26 115.66 1bao n ASN 5 Ca 0.00 -1.81 -0.21 0.00 -0.02 0.00 0.00 54.58 52.54 1bao n ASN 5 Cb 0.00 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.25 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 4.97 0.12 5.53 -4.23 -1.26 -0.18 115.64 120.60 1bao s THR 6 Ca 0.05 -0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 1bao s THR 6 Cb 0.06 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1bao s THR 6 CO -0.03 -0.33 1.67 -0.26 -0.54 0.00 0.00 174.62 175.13 1bao h PHE 7 N 1.02 -0.36 -0.13 3.99 0.04 -1.99 -0.66 116.94 118.87 1bao h PHE 7 Ca -0.50 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.28 1bao h PHE 7 Cb 1.23 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 1bao h PHE 7 CO 0.45 -0.21 0.07 -0.44 -0.60 0.00 0.00 178.31 177.59 1bao h ASP 8 N -0.20 0.16 -0.61 2.17 3.32 -1.99 -2.02 116.42 117.25 1bao h ASP 8 Ca 0.07 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1bao h ASP 8 Cb 0.30 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1bao h ASP 8 CO -0.19 0.20 0.00 1.23 -1.72 0.00 0.00 179.24 178.76 1bao h GLY 9 N 0.10 1.16 1.79 2.75 0.00 -1.94 -0.95 103.07 105.99 1bao h GLY 9 Ca 0.04 -0.85 -0.19 0.00 0.00 0.00 0.00 47.33 46.33 1bao h GLY 9 CO -0.01 0.79 -0.83 -2.08 0.00 0.00 0.00 176.54 174.41 1bao h VAL 10 N 0.98 1.48 0.30 4.60 2.07 -1.14 -3.00 116.25 121.55 1bao h VAL 10 Ca 0.17 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 1bao h VAL 10 Cb 0.56 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1bao h VAL 10 CO 0.03 0.74 -0.15 0.00 0.02 0.00 0.00 177.57 178.21 1bao h ALA 11 N 1.02 -0.41 -0.54 1.67 0.00 -1.22 -1.11 119.26 118.66 1bao h ALA 11 Ca -0.04 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1bao h ALA 11 Cb 1.44 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1bao h ALA 11 CO 0.13 -0.68 0.29 -0.44 0.00 0.00 0.00 179.25 178.55 1bao h ASP 12 N -0.51 0.43 -0.13 0.00 3.32 -1.27 -2.40 116.42 115.86 1bao h ASP 12 Ca -0.04 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1bao h ASP 12 Cb 0.38 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1bao h ASP 12 CO 0.07 0.29 -0.09 0.22 -1.72 0.00 0.00 179.24 178.01 1bao h TYR 13 N 0.56 -0.21 -0.77 4.55 5.03 -1.52 -2.06 116.97 122.53 1bao h TYR 13 Ca 0.24 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 1bao h TYR 13 Cb 0.12 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 1bao h TYR 13 CO -0.09 -0.14 0.40 -0.07 -1.32 0.00 0.00 178.16 176.94 1bao h LEU 14 N -0.09 0.99 -0.63 2.82 3.38 -0.90 0.27 115.31 121.15 1bao h LEU 14 Ca 0.08 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1bao h LEU 14 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1bao h LEU 14 CO -0.19 0.83 -0.01 1.56 0.09 0.00 0.00 178.44 180.72 1bao h GLN 15 N 1.08 1.07 0.02 1.13 4.20 -1.32 0.03 115.11 121.31 1bao h GLN 15 Ca 0.27 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1bao h GLN 15 Cb 0.08 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1bao h GLN 15 CO -0.04 1.04 -0.01 1.15 -0.67 0.00 0.00 178.83 180.31 1bao h THR 16 N 0.97 1.39 0.00 -0.54 2.02 -1.26 -3.40 112.91 112.09 1bao h THR 16 Ca 0.17 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1bao h THR 16 Cb 0.57 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1bao h THR 16 CO 0.03 0.44 -0.84 -1.22 0.37 0.00 0.00 175.52 174.30 1bao n TYR 17 N -4.70 0.03 -3.35 3.16 4.01 0.92 -4.99 117.16 112.24 1bao n TYR 17 Ca -0.08 0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 1bao n TYR 17 Cb 0.36 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.58 -2.48 -3.64 -0.72 8.25 -0.00 -4.97 115.22 110.08 1bao n HIS 18 Ca 0.04 0.81 -0.05 0.00 -0.26 0.00 0.00 57.72 58.26 1bao n HIS 18 Cb 0.35 -4.75 -0.02 0.00 1.12 0.00 0.00 29.99 26.69 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 -6.05 0.93 0.48 -0.41 -2.85 -1.26 -5.08 119.74 105.50 1bao s LYS 19 Ca 0.47 -0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 54.82 1bao s LYS 19 Cb -0.21 0.35 -0.08 0.00 -2.06 0.00 0.00 37.83 35.83 1bao s LYS 19 CO 0.58 -0.42 0.95 -0.51 0.10 0.00 0.00 175.35 176.05 1bao s LEU 20 N -2.74 3.71 1.04 2.77 1.43 -1.26 -4.02 118.68 119.62 1bao s LEU 20 Ca 0.10 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 1bao s LEU 20 Cb -0.01 -4.45 0.22 0.00 0.03 0.00 0.00 46.19 41.98 1bao s LEU 20 CO -0.03 -0.52 1.09 -2.84 0.23 0.00 0.00 176.35 174.28 1bao s PRO 21 N -3.86 0.03 0.57 1.29 0.02 -1.26 -4.91 135.00 126.89 1bao s PRO 21 Ca 0.58 1.23 0.27 0.00 0.02 0.00 0.00 61.00 63.10 1bao s PRO 21 Cb -0.10 -1.64 1.56 0.00 0.02 0.00 0.00 34.50 34.35 1bao s PRO 21 CO 0.28 -3.20 2.08 0.38 -0.33 0.00 0.00 177.00 176.20 1bao h ASP 22 N -2.27 0.00 -0.01 2.53 -0.00 -1.96 -2.70 116.42 112.00 1bao h ASP 22 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 1bao h ASP 22 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.63 1bao h ASP 22 CO 0.45 0.00 0.00 -0.46 -0.00 0.00 0.00 179.24 179.23 1bao n ASN 23 N -3.98 0.19 -4.88 4.15 6.94 -1.26 -4.93 115.26 111.49 1bao n ASN 23 Ca 0.03 -1.33 -0.30 0.00 -0.02 0.00 0.00 54.58 52.96 1bao n ASN 23 Cb 0.37 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.98 3.42 -0.04 -2.53 1.51 -1.02 -1.55 117.35 115.16 1bao s TYR 24 Ca 0.34 0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 56.52 1bao s TYR 24 Cb 0.16 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1bao s TYR 24 CO 0.27 0.56 0.17 0.96 -1.11 0.00 0.00 175.55 176.40 1bao s ILE 25 N -1.51 0.03 1.06 2.71 -4.36 -0.59 -4.91 121.20 113.63 1bao s ILE 25 Ca 0.33 -0.25 -0.13 0.00 -0.26 0.00 0.00 60.65 60.34 1bao s ILE 25 Cb -0.13 -0.32 0.22 0.00 1.25 0.00 0.00 42.46 43.48 1bao s ILE 25 CO 0.26 -0.14 1.08 0.42 0.24 0.00 0.00 174.94 176.80 1bao s THR 26 N -0.45 1.98 0.22 8.37 -4.23 -1.12 -2.09 115.64 118.31 1bao s THR 26 Ca -0.05 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.80 1bao s THR 26 Cb -0.04 -2.41 0.38 0.00 1.34 0.00 0.00 72.50 71.78 1bao s THR 26 CO 0.01 0.00 2.04 0.11 -0.54 0.00 0.00 174.62 176.24 1bao h LYS 27 N -2.12 0.00 0.08 3.99 1.57 -1.97 -1.77 116.57 116.34 1bao h LYS 27 Ca -0.56 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 57.96 1bao h LYS 27 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1bao h LYS 27 CO 0.55 0.03 -1.25 0.77 -0.57 0.00 0.00 179.45 178.99 1bao h SER 28 N 0.00 0.26 -0.39 0.86 0.02 -1.98 -1.78 113.55 110.53 1bao h SER 28 Ca -0.00 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.54 1bao h SER 28 Cb 0.44 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1bao h SER 28 CO 0.00 1.24 -0.19 -0.33 -1.14 0.00 0.00 176.83 176.42 1bao h GLU 29 N 0.05 0.82 0.30 3.45 5.08 -1.82 -1.34 114.58 121.11 1bao h GLU 29 Ca -0.12 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1bao h GLU 29 Cb 1.92 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1bao h GLU 29 CO 0.17 0.99 -0.14 0.00 -1.00 0.00 0.00 179.01 179.02 1bao h ALA 30 N 0.81 -0.40 -0.34 3.43 0.00 -1.37 -0.64 119.26 120.75 1bao h ALA 30 Ca 0.09 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1bao h ALA 30 Cb 0.74 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1bao h ALA 30 CO 0.06 -0.68 -0.11 1.96 0.00 0.00 0.00 179.25 180.48 1bao h GLN 31 N -0.48 -0.03 -0.97 0.00 4.20 -1.30 -0.19 115.11 116.34 1bao h GLN 31 Ca -0.04 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1bao h GLN 31 Cb 0.36 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1bao h GLN 31 CO 0.07 -0.02 0.63 0.00 -0.67 0.00 0.00 178.83 178.83 1bao h ALA 32 N 1.30 1.47 0.00 3.87 0.00 -0.87 -0.21 119.26 124.82 1bao h ALA 32 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bao h ALA 32 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bao h ALA 32 CO -0.37 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1bao n LEU 33 N -4.52 0.00 0.00 0.00 4.77 -0.23 -4.88 117.00 112.14 1bao n LEU 33 Ca 0.16 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1bao n LEU 33 Cb 0.23 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bao n LEU 33 CO 0.31 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1bao n GLY 34 N 0.83 1.02 3.70 -0.72 0.00 -0.09 -4.88 105.19 105.05 1bao n GLY 34 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.26 -0.28 1.61 -0.00 -0.36 -4.87 118.94 116.29 1bao s TRP 35 Ca 0.00 1.18 0.03 0.00 -0.00 0.00 0.00 56.10 57.31 1bao s TRP 35 Cb 0.00 -3.47 0.07 0.00 -0.00 0.00 0.00 33.47 30.08 1bao s TRP 35 CO 0.00 -1.51 -0.04 0.08 -0.00 0.00 0.00 176.95 175.47 1bao s VAL 36 N 1.65 2.06 0.14 5.86 1.01 -1.26 -4.26 120.40 125.60 1bao s VAL 36 Ca 0.59 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1bao s VAL 36 Cb -0.28 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1bao s VAL 36 CO 0.26 -0.24 1.58 0.00 0.00 0.00 0.00 175.10 176.70 1bao h ALA 37 N 7.76 -0.56 0.00 5.51 0.00 -2.00 -1.21 119.26 128.77 1bao h ALA 37 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bao h ALA 37 Cb 1.04 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1bao h ALA 37 CO 0.47 -0.92 0.00 0.77 0.00 0.00 0.00 179.25 179.58 1bao h SER 38 N -0.44 0.00 0.35 0.00 0.02 -2.03 -2.17 113.55 109.27 1bao h SER 38 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1bao h SER 38 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1bao h SER 38 CO -0.46 0.00 -0.88 0.29 -1.14 0.00 0.00 176.83 174.64 1bao n LYS 39 N -2.89 0.15 -3.75 3.45 5.02 -0.48 -5.01 118.16 114.65 1bao n LYS 39 Ca -0.03 -0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 1bao n LYS 39 Cb 0.06 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.43 -0.42 1.26 0.72 0.00 -0.82 -4.93 105.19 102.44 1bao n GLY 40 Ca 0.03 0.17 0.08 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 -2.97 4.36 -0.08 1.61 6.94 -1.25 -3.81 115.26 120.07 1bao n ASN 41 Ca -0.11 -2.65 -0.07 0.00 -0.02 0.00 0.00 54.58 51.73 1bao n ASN 41 Cb 0.60 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 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 3.00 -0.75 0.00 -4.53 5.85 -1.88 0.29 115.31 117.30 1bao h LEU 42 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1bao h LEU 42 Cb 1.43 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1bao h LEU 42 CO 0.24 -0.26 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 1bao n ALA 43 N -2.83 2.08 -0.05 1.25 0.00 -1.26 -0.25 120.51 119.44 1bao n ALA 43 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1bao n ALA 43 Cb 0.29 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1bao n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bao n ASP 44 N -0.97 2.04 0.02 0.00 8.00 0.96 -3.96 116.55 122.63 1bao n ASP 44 Ca 0.11 0.19 0.11 0.00 0.71 0.00 0.00 54.79 55.92 1bao n ASP 44 Cb 0.05 -0.80 0.02 0.00 -0.02 0.00 0.00 41.12 40.38 1bao n ASP 44 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bao n VAL 45 N -3.68 0.10 -2.92 2.53 0.24 -0.79 -4.64 118.33 109.19 1bao n VAL 45 Ca -0.36 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.34 61.63 1bao n VAL 45 Cb 0.96 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.73 -0.13 -1.67 2.33 0.00 0.65 -4.94 120.51 115.02 1bao n ALA 46 Ca 0.03 -2.02 -0.47 0.00 0.00 0.00 0.00 53.44 50.98 1bao n ALA 46 Cb 0.41 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1bao n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bao n PRO 47 N 1.83 2.13 0.00 0.00 -0.02 -1.25 -2.08 135.00 135.60 1bao n PRO 47 Ca 0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1bao n PRO 47 Cb 0.58 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1bao n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bao n GLY 48 N 3.64 2.32 3.89 -1.23 0.00 -1.26 -5.03 105.19 107.51 1bao n GLY 48 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.32 3.72 0.10 1.61 3.01 -0.88 -4.90 119.74 122.08 1bao s LYS 49 Ca 0.00 0.14 0.04 0.00 -1.01 0.00 0.00 55.97 55.14 1bao s LYS 49 Cb 0.00 -2.68 -0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1bao s LYS 49 CO 0.00 0.31 -0.11 -1.12 0.51 0.00 0.00 175.35 174.94 1bao s SER 50 N -2.60 1.57 -0.01 2.83 0.01 -0.59 -4.84 113.70 110.07 1bao s SER 50 Ca 0.45 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 1bao s SER 50 Cb -0.11 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1bao s SER 50 CO 0.24 -0.22 1.01 -0.63 0.41 0.00 0.00 173.24 174.05 1bao s ILE 51 N -2.23 4.78 -0.16 1.44 -1.09 -1.26 -1.54 121.20 121.14 1bao s ILE 51 Ca 0.05 2.00 -0.34 0.00 -2.23 0.00 0.00 60.65 60.12 1bao s ILE 51 Cb -0.04 -4.28 0.13 0.00 -1.58 0.00 0.00 42.46 36.69 1bao s ILE 51 CO 0.01 0.14 1.20 -0.83 -1.23 0.00 0.00 174.94 174.23 1bao s GLY 52 N 1.03 -0.31 0.00 6.18 0.00 -0.89 -0.96 107.32 112.37 1bao s GLY 52 Ca 0.52 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.73 1bao s GLY 52 CO 0.27 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.46 1bao n GLY 53 N -0.13 0.15 3.80 0.20 0.00 0.07 -2.81 105.19 106.46 1bao n GLY 53 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.16 6.68 0.25 1.61 1.01 -1.25 -4.74 116.67 118.08 1bao s ASP 54 Ca 0.00 1.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 1bao s ASP 54 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1bao s ASP 54 CO 0.00 -0.54 1.20 -0.63 0.21 0.00 0.00 175.17 175.41 1bao s ILE 55 N -2.01 3.32 -0.21 0.77 -1.09 -1.26 -0.36 121.20 120.36 1bao s ILE 55 Ca 0.63 1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 60.23 1bao s ILE 55 Cb -0.14 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1bao s ILE 55 CO 0.18 0.25 -0.01 0.12 -1.23 0.00 0.00 174.94 174.25 1bao s PHE 56 N -0.63 3.01 -0.32 3.97 5.36 -0.33 -4.86 117.98 124.17 1bao s PHE 56 Ca 0.50 -0.59 0.20 0.00 -0.96 0.00 0.00 56.93 56.08 1bao s PHE 56 Cb -0.34 -2.10 0.28 0.00 -0.34 0.00 0.00 43.02 40.52 1bao s PHE 56 CO 0.42 -0.33 1.57 0.66 -1.46 0.00 0.00 175.22 176.07 1bao h SER 57 N 7.70 0.00 -1.96 6.13 4.64 -1.96 -3.39 113.55 124.72 1bao h SER 57 Ca -0.37 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.64 1bao h SER 57 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1bao h SER 57 CO 0.60 0.18 -0.38 -3.20 -0.87 0.00 0.00 176.83 173.16 1bao n ASN 58 N -3.15 -4.66 -0.15 4.97 5.15 -1.26 -4.91 115.26 111.25 1bao n ASN 58 Ca 0.03 0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.19 1bao n ASN 58 Cb 0.59 -3.75 0.48 0.00 -0.53 0.00 0.00 39.78 36.58 1bao n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bao h ARG 59 N 0.00 0.45 -0.00 1.20 -0.00 -2.00 -1.23 114.38 112.80 1bao h ARG 59 Ca -0.36 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 1bao h ARG 59 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.10 1bao h ARG 59 CO 0.44 0.30 -0.05 0.39 0.00 0.00 0.00 179.97 181.04 1bao n GLU 60 N -4.48 0.98 -2.18 0.04 1.02 -1.26 -4.92 120.64 109.84 1bao n GLU 60 Ca 0.13 -0.32 -0.16 0.00 -0.02 0.00 0.00 57.16 56.79 1bao n GLU 60 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.18 -0.03 0.00 0.62 0.00 -0.46 -4.93 105.19 101.57 1bao n GLY 61 Ca 0.18 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1bao n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bao n LYS 62 N -2.51 0.59 -4.39 1.61 5.02 -1.26 -4.74 118.16 112.47 1bao n LYS 62 Ca -0.18 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 55.85 1bao n LYS 62 Cb 0.62 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 1bao n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bao s LEU 63 N -2.34 2.45 0.12 -0.35 1.43 -1.26 -4.92 118.68 113.82 1bao s LEU 63 Ca 0.32 -0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 1bao s LEU 63 Cb 0.19 -1.25 -0.11 0.00 0.03 0.00 0.00 46.19 45.05 1bao s LEU 63 CO 0.37 0.15 1.85 -2.65 0.23 0.00 0.00 176.35 176.31 1bao n PRO 64 N 0.55 2.82 -3.50 1.29 -0.02 -1.26 -5.01 135.00 129.87 1bao n PRO 64 Ca -0.15 1.03 -0.21 0.00 -2.02 0.00 0.00 63.50 62.15 1bao n PRO 64 Cb 0.54 -2.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.09 1bao n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bao s GLY 65 N 2.85 1.47 -0.22 -1.23 0.00 -1.26 -5.10 107.32 103.82 1bao s GLY 65 Ca 0.82 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.99 1bao s GLY 65 CO 0.37 -1.21 0.99 0.54 0.00 0.00 0.00 173.10 173.79 1bao s LYS 66 N -4.20 0.58 -0.01 2.90 3.01 -1.26 -5.09 119.74 115.67 1bao s LYS 66 Ca 0.42 0.44 -0.35 0.00 -1.01 0.00 0.00 55.97 55.47 1bao s LYS 66 Cb -0.09 0.28 -0.13 0.00 -1.01 0.00 0.00 37.83 36.87 1bao s LYS 66 CO 0.32 -0.12 1.71 0.43 0.51 0.00 0.00 175.35 178.20 1bao n SER 67 N 1.64 3.01 0.00 2.83 7.64 -1.26 -1.91 113.62 125.57 1bao n SER 67 Ca -0.12 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1bao n SER 67 Cb 0.57 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1bao n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bao n GLY 68 N 3.85 0.71 3.68 0.23 0.00 -1.26 -5.02 105.19 107.38 1bao n GLY 68 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.11 4.33 0.03 1.61 3.52 -0.80 -4.97 118.95 122.56 1bao s ARG 69 Ca 0.00 0.96 0.06 0.00 -0.13 0.00 0.00 55.73 56.61 1bao s ARG 69 Cb 0.00 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1bao s ARG 69 CO 0.00 -0.21 -0.14 0.95 -0.81 0.00 0.00 175.30 175.09 1bao s THR 70 N 1.76 3.12 -0.12 4.11 -4.23 -1.26 -4.81 115.64 114.21 1bao s THR 70 Ca 0.38 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1bao s THR 70 Cb -0.17 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1bao s THR 70 CO 0.14 0.34 0.06 0.26 -0.54 0.00 0.00 174.62 174.89 1bao s TRP 71 N -0.97 3.32 0.27 3.99 0.52 -1.26 -0.39 118.94 124.42 1bao s TRP 71 Ca 0.16 0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.57 1bao s TRP 71 Cb -0.11 -1.92 -0.06 0.00 -1.15 0.00 0.00 33.47 30.24 1bao s TRP 71 CO 0.07 0.46 0.03 1.03 0.02 0.00 0.00 176.95 178.55 1bao s ARG 72 N -0.57 1.45 0.15 4.98 1.81 -0.70 -1.19 118.95 124.89 1bao s ARG 72 Ca 0.11 -1.77 -0.03 0.00 -1.72 0.00 0.00 55.73 52.32 1bao s ARG 72 Cb -0.12 -0.67 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 1bao s ARG 72 CO 0.02 -0.15 0.12 -1.83 -0.68 0.00 0.00 175.30 172.79 1bao s GLU 73 N -3.89 1.02 -0.05 3.54 -1.05 0.51 -1.18 118.70 117.60 1bao s GLU 73 Ca 0.32 -1.41 -0.21 0.00 -0.15 0.00 0.00 54.97 53.52 1bao s GLU 73 Cb 0.07 0.28 0.04 0.00 -0.44 0.00 0.00 34.13 34.08 1bao s GLU 73 CO 0.12 -0.32 0.47 0.00 0.95 0.00 0.00 175.26 176.47 1bao s ALA 74 N -4.05 -1.19 0.15 -0.84 0.00 -0.74 -0.75 121.76 114.34 1bao s ALA 74 Ca 0.25 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1bao s ALA 74 Cb 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1bao s ALA 74 CO 0.03 -0.30 0.96 -0.51 0.00 0.00 0.00 175.76 175.95 1bao s ASP 75 N -1.10 7.53 0.07 0.00 1.11 -0.13 -1.02 116.67 123.12 1bao s ASP 75 Ca -0.11 1.86 0.08 0.00 0.18 0.00 0.00 52.55 54.56 1bao s ASP 75 Cb -0.03 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1bao s ASP 75 CO 0.06 -0.01 -0.17 -0.63 1.18 0.00 0.00 175.17 175.60 1bao s ILE 76 N -0.36 2.90 -1.83 0.77 -1.09 -0.77 -4.71 121.20 116.10 1bao s ILE 76 Ca 0.45 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1bao s ILE 76 Cb -0.25 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1bao s ILE 76 CO 0.31 0.23 0.00 0.59 -1.23 0.00 0.00 174.94 174.84 1bao n ASN 77 N 1.18 -5.16 -4.79 3.58 3.02 0.75 -4.58 115.26 109.26 1bao n ASN 77 Ca -0.16 0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 1bao n ASN 77 Cb 0.52 -4.23 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.70 3.67 0.15 3.10 5.36 -1.26 -4.93 117.98 121.36 1bao s PHE 78 Ca 0.00 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1bao s PHE 78 Cb 0.00 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 1bao s PHE 78 CO 0.00 0.48 0.00 0.25 -1.46 0.00 0.00 175.22 174.49 1bao n THR 79 N 2.42 0.61 -3.66 0.12 -2.24 -1.26 -4.93 114.28 105.34 1bao n THR 79 Ca -0.11 0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1bao n THR 79 Cb 0.52 -1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 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 -5.49 -0.25 0.00 3.42 1.04 -1.26 -4.73 113.70 106.43 1bao s SER 80 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1bao s SER 80 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1bao s SER 80 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1bao n GLY 81 N -0.26 -0.41 3.78 7.32 0.00 -1.25 -4.96 105.19 109.41 1bao n GLY 81 Ca -0.14 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 2.70 0.48 1.61 0.08 -1.26 -4.34 117.98 117.24 1bao s PHE 82 Ca 0.00 1.54 -0.22 0.00 0.12 0.00 0.00 56.93 58.37 1bao s PHE 82 Cb 0.00 -3.08 -0.07 0.00 -0.57 0.00 0.00 43.02 39.30 1bao s PHE 82 CO 0.00 -1.61 1.12 1.03 -0.10 0.00 0.00 175.22 175.66 1bao s ARG 83 N -4.47 3.71 0.00 0.44 0.52 -1.26 -5.02 118.95 112.87 1bao s ARG 83 Ca 0.64 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1bao s ARG 83 Cb -0.18 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1bao s ARG 83 CO 0.47 -0.56 0.00 0.27 0.02 0.00 0.00 175.30 175.50 1bao n ASN 84 N -0.72 0.00 -0.81 0.23 0.23 -1.26 -5.02 115.26 107.91 1bao n ASN 84 Ca 0.08 -0.09 0.08 0.00 -0.53 0.00 0.00 54.58 54.12 1bao n ASN 84 Cb 0.50 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.27 2.98 -4.67 0.53 3.41 -1.26 -4.96 113.62 109.37 1bao n SER 85 Ca 0.00 -1.89 -0.38 0.00 -0.26 0.00 0.00 58.87 56.34 1bao n SER 85 Cb 0.00 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.10 6.52 0.02 4.04 1.01 -1.26 -2.65 116.67 123.25 1bao s ASP 86 Ca 0.28 0.62 0.00 0.00 0.71 0.00 0.00 52.55 54.16 1bao s ASP 86 Cb 0.16 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1bao s ASP 86 CO 0.21 -0.10 -0.04 -0.13 0.21 0.00 0.00 175.17 175.32 1bao s ARG 87 N 1.33 0.35 -0.12 8.23 1.81 -0.95 -1.85 118.95 127.75 1bao s ARG 87 Ca 0.22 -0.65 -0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1bao s ARG 87 Cb -0.15 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 1bao s ARG 87 CO 0.09 -0.04 0.04 -1.50 -0.68 0.00 0.00 175.30 173.21 1bao s ILE 88 N -1.54 4.58 -0.16 1.52 2.07 -0.19 -1.46 121.20 126.02 1bao s ILE 88 Ca -0.14 -0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1bao s ILE 88 Cb -0.09 -2.99 -0.00 0.00 0.13 0.00 0.00 42.46 39.51 1bao s ILE 88 CO -0.01 0.56 -0.14 -0.76 -1.91 0.00 0.00 174.94 172.67 1bao s LEU 89 N -0.43 2.52 -0.03 8.50 2.01 0.82 -1.79 118.68 130.28 1bao s LEU 89 Ca 0.09 -0.46 0.03 0.00 0.01 0.00 0.00 54.13 53.80 1bao s LEU 89 Cb -0.12 -1.58 0.01 0.00 0.01 0.00 0.00 46.19 44.51 1bao s LEU 89 CO 0.02 0.08 -0.10 -0.72 1.01 0.00 0.00 176.35 176.64 1bao s TYR 90 N 0.84 1.08 0.65 0.29 1.13 -0.33 -0.76 117.35 120.26 1bao s TYR 90 Ca -0.04 -0.30 -0.03 0.00 -1.41 0.00 0.00 57.07 55.28 1bao s TYR 90 Cb -0.15 -0.78 0.06 0.00 -1.10 0.00 0.00 41.96 39.99 1bao s TYR 90 CO -0.00 -0.14 0.93 -1.54 -2.51 0.00 0.00 175.55 172.28 1bao s SER 91 N 0.31 4.87 0.60 -0.18 1.04 -0.53 -1.72 113.70 118.10 1bao s SER 91 Ca -0.06 0.14 0.38 0.00 0.48 0.00 0.00 55.95 56.89 1bao s SER 91 Cb -0.11 -0.83 1.87 0.00 0.10 0.00 0.00 66.02 67.06 1bao s SER 91 CO 0.01 -1.49 2.18 0.77 0.98 0.00 0.00 173.24 175.69 1bao h SER 92 N -0.36 0.00 -0.63 7.02 4.64 -1.08 -0.44 113.55 122.71 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 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 1bao n ASP 93 N -3.18 4.04 -3.42 4.97 5.75 -1.26 -5.00 116.55 118.45 1bao n ASP 93 Ca -0.01 -2.18 -0.19 0.00 -0.01 0.00 0.00 54.79 52.40 1bao n ASP 93 Cb 0.19 -0.48 0.08 0.00 -1.03 0.00 0.00 41.12 39.88 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 1.21 -2.41 -3.19 2.11 7.02 -0.17 -5.03 117.44 116.98 1bao n TRP 94 Ca 0.23 0.94 -0.39 0.00 -1.02 0.00 0.00 57.50 57.26 1bao n TRP 94 Cb 0.68 -4.97 -0.06 0.00 -2.42 0.00 0.00 31.31 24.54 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 -6.61 4.45 -0.12 -0.99 1.43 -1.26 -4.86 118.68 110.73 1bao s LEU 95 Ca 0.24 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1bao s LEU 95 Cb -0.10 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1bao s LEU 95 CO 0.71 0.14 -0.13 -0.63 0.23 0.00 0.00 176.35 176.66 1bao s ILE 96 N -0.42 3.04 0.13 -0.59 -1.09 -0.89 -1.45 121.20 119.92 1bao s ILE 96 Ca 0.31 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1bao s ILE 96 Cb -0.19 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1bao s ILE 96 CO 0.18 0.53 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.99 1bao s TYR 97 N 0.24 1.34 0.15 3.97 1.51 0.06 -1.16 117.35 123.46 1bao s TYR 97 Ca -0.09 -0.61 0.08 0.00 -1.01 0.00 0.00 57.07 55.43 1bao s TYR 97 Cb -0.15 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1bao s TYR 97 CO 0.05 0.13 -0.16 0.21 -1.11 0.00 0.00 175.55 174.66 1bao s LYS 98 N -2.98 1.19 0.02 -0.62 2.20 -0.03 -0.12 119.74 119.41 1bao s LYS 98 Ca 0.11 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 1bao s LYS 98 Cb -0.03 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1bao s LYS 98 CO 0.02 0.23 -0.04 -0.08 -0.36 0.00 0.00 175.35 175.13 1bao s THR 99 N -2.18 0.16 -0.00 3.43 -1.32 -0.54 -2.07 115.64 113.13 1bao s THR 99 Ca 0.14 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 1bao s THR 99 Cb -0.05 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1bao s THR 99 CO 0.05 -0.51 0.99 0.35 -2.21 0.00 0.00 174.62 173.30 1bao n THR 100 N 1.53 0.03 -2.63 5.08 -2.24 -1.26 -2.24 114.28 112.55 1bao n THR 100 Ca -0.23 -0.03 0.01 0.00 -2.27 0.00 0.00 64.05 61.52 1bao n THR 100 Cb 0.55 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.02 0.85 -3.04 3.42 5.68 -1.19 -4.62 116.55 117.64 1bao n ASP 101 Ca 0.00 -2.03 -0.15 0.00 -0.50 0.00 0.00 54.79 52.11 1bao n ASP 101 Cb 0.69 -0.24 0.07 0.00 -1.14 0.00 0.00 41.12 40.51 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 -0.22 -1.89 -1.36 2.11 8.25 -1.09 -3.50 115.22 117.52 1bao n HIS 102 Ca 0.01 0.79 -0.12 0.00 -0.26 0.00 0.00 57.72 58.14 1bao n HIS 102 Cb 0.93 -4.57 -0.05 0.00 1.12 0.00 0.00 29.99 27.42 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 -3.71 -0.00 -0.06 4.41 4.01 -1.26 -4.92 117.16 115.62 1bao n TYR 103 Ca -0.22 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.34 1bao n TYR 103 Cb 0.63 -2.28 -0.13 0.00 -0.31 0.00 0.00 39.34 37.26 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 0.07 -4.43 -0.72 4.20 -1.98 -3.47 115.11 108.77 1bao h GLN 104 Ca -0.26 -0.11 -0.27 0.00 0.06 0.00 0.00 58.65 58.08 1bao h GLN 104 Cb 0.81 0.04 -0.22 0.00 0.30 0.00 0.00 27.48 28.41 1bao h GLN 104 CO 0.37 1.05 -0.73 0.95 -0.67 0.00 0.00 178.83 179.80 1bao s THR 105 N -2.33 0.45 0.13 -0.54 -4.23 -1.26 -5.10 115.64 102.77 1bao s THR 105 Ca -0.22 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1bao s THR 105 Cb 0.01 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1bao s THR 105 CO 0.68 -0.31 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.96 1bao s PHE 106 N -1.15 1.44 -0.10 3.99 0.08 -1.26 -4.30 117.98 116.67 1bao s PHE 106 Ca -0.09 -0.57 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 1bao s PHE 106 Cb -0.08 -0.74 0.05 0.00 -0.57 0.00 0.00 43.02 41.68 1bao s PHE 106 CO 0.00 0.17 0.23 0.99 -0.10 0.00 0.00 175.22 176.51 1bao s THR 107 N -2.34 -0.14 -0.06 0.64 2.01 -0.88 -4.93 115.64 109.95 1bao s THR 107 Ca 0.11 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1bao s THR 107 Cb -0.04 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1bao s THR 107 CO 0.03 0.08 1.53 -0.75 -0.69 0.00 0.00 174.62 174.82 1bao s LYS 108 N 1.57 4.21 -0.01 4.92 2.20 -1.26 -0.85 119.74 130.52 1bao s LYS 108 Ca -0.06 2.05 0.10 0.00 -0.36 0.00 0.00 55.97 57.69 1bao s LYS 108 Cb -0.11 -3.84 -0.13 0.00 -1.51 0.00 0.00 37.83 32.23 1bao s LYS 108 CO -0.08 -0.76 0.33 0.44 -0.36 0.00 0.00 175.35 174.92 1bao n ILE 109 N 5.27 0.00 -1.67 5.43 -5.35 -0.31 -4.94 119.36 117.79 1bao n ILE 109 Ca 0.16 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1bao n ILE 109 Cb 0.43 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 1bao n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33