#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bao n PHE 1 N 0.00 1.41 -2.78 -1.40 7.35 -1.26 -5.02 117.46 115.76 3bao n PHE 1 Ca 0.00 -1.83 -0.42 0.00 -0.76 0.00 0.00 57.45 54.43 3bao n PHE 1 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 3bao n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3bao s ASN 2 N -3.39 6.99 0.05 -2.13 0.01 -1.26 -5.03 114.94 110.19 3bao s ASN 2 Ca 0.38 1.24 0.00 0.00 -0.71 0.00 0.00 52.86 53.77 3bao s ASN 2 Cb 0.37 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 3bao s ASN 2 CO -0.04 -0.56 0.16 -0.76 -1.51 0.00 0.00 177.10 174.40 3bao s LEU 3 N 2.84 4.18 0.60 0.60 1.43 -1.26 -0.98 118.68 126.09 3bao s LEU 3 Ca 0.40 0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 3bao s LEU 3 Cb -0.16 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3bao s LEU 3 CO 0.08 0.19 0.97 -2.16 0.23 0.00 0.00 176.35 175.66 3bao s PRO 4 N -2.35 3.30 0.92 1.29 0.04 -1.26 -4.54 135.00 132.39 3bao s PRO 4 Ca 0.32 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 3bao s PRO 4 Cb -0.13 -2.17 0.19 0.00 0.04 0.00 0.00 34.50 32.43 3bao s PRO 4 CO 0.24 -0.61 1.26 -1.25 0.04 0.00 0.00 177.00 176.67 3bao s PRO 5 N -5.08 0.80 0.00 0.56 0.04 -1.26 -4.96 135.00 125.10 3bao s PRO 5 Ca 0.54 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.95 3bao s PRO 5 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3bao s PRO 5 CO 0.50 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.71 3bao n GLY 6 N -3.57 -0.12 0.00 0.56 0.00 -1.26 -5.08 105.19 95.72 3bao n GLY 6 Ca 0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3bao n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bao n ASN 7 N -1.08 0.40 -0.43 1.61 0.23 -1.26 -5.06 115.26 109.66 3bao n ASN 7 Ca 0.00 -0.33 0.06 0.00 -0.53 0.00 0.00 54.58 53.78 3bao n ASN 7 Cb 0.00 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.84 3bao n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3bao n TYR 8 N 0.00 0.37 -0.10 -2.53 4.01 -1.26 -4.73 117.16 112.92 3bao n TYR 8 Ca 0.00 -0.69 0.02 0.00 -0.16 0.00 0.00 57.90 57.08 3bao n TYR 8 Cb 0.00 -0.13 0.34 0.00 -0.31 0.00 0.00 39.34 39.24 3bao n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3bao h LYS 9 N 1.06 0.75 -5.31 -0.72 1.57 -1.97 -3.45 116.57 108.50 3bao h LYS 9 Ca 0.00 -0.05 -0.43 0.00 -1.87 0.00 0.00 60.65 58.31 3bao h LYS 9 Cb 0.90 -0.17 -0.14 0.00 0.08 0.00 0.00 32.23 32.90 3bao h LYS 9 CO 0.05 0.50 -0.68 0.15 -0.57 0.00 0.00 179.45 178.90 3bao s LYS 10 N -5.67 1.39 0.78 3.15 1.02 -1.26 -5.14 119.74 114.01 3bao s LYS 10 Ca -0.10 -1.68 -0.11 0.00 0.02 0.00 0.00 55.97 54.11 3bao s LYS 10 Cb 0.18 -0.89 0.06 0.00 -0.52 0.00 0.00 37.83 36.65 3bao s LYS 10 CO 0.76 0.01 1.08 -1.25 -0.92 0.00 0.00 175.35 175.03 3bao s PRO 11 N -3.77 2.25 0.12 -1.68 0.04 -1.26 -4.72 135.00 125.98 3bao s PRO 11 Ca 0.27 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.26 3bao s PRO 11 Cb 0.04 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3bao s PRO 11 CO 0.09 -1.59 0.05 0.15 0.04 0.00 0.00 177.00 175.73 3bao s LYS 12 N -4.99 0.90 -0.15 4.56 -0.14 0.10 -4.10 119.74 115.92 3bao s LYS 12 Ca 0.61 -1.42 -0.06 0.00 -1.36 0.00 0.00 55.97 53.74 3bao s LYS 12 Cb -0.16 0.24 -0.04 0.00 -1.68 0.00 0.00 37.83 36.19 3bao s LYS 12 CO 0.56 -0.24 0.05 -0.51 -0.76 0.00 0.00 175.35 174.44 3bao s LEU 13 N -3.04 3.78 -0.54 3.17 1.43 0.35 -0.83 118.68 123.00 3bao s LEU 13 Ca 0.22 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 3bao s LEU 13 Cb 0.08 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.50 3bao s LEU 13 CO 0.01 0.26 0.51 -0.76 0.23 0.00 0.00 176.35 176.59 3bao s LEU 14 N -0.14 6.14 -0.16 1.79 1.43 -1.26 -0.33 118.68 126.15 3bao s LEU 14 Ca 0.07 -1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 51.18 3bao s LEU 14 Cb -0.12 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3bao s LEU 14 CO 0.01 -0.87 0.69 -0.47 0.23 0.00 0.00 176.35 175.95 3bao s TYR 15 N 1.66 3.43 -0.26 0.29 5.04 -0.52 -1.43 117.35 125.56 3bao s TYR 15 Ca 0.03 1.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.58 3bao s TYR 15 Cb -0.30 -2.85 -0.03 0.00 0.35 0.00 0.00 41.96 39.13 3bao s TYR 15 CO 0.03 -0.13 0.41 0.00 -1.34 0.00 0.00 175.55 174.52 3bao n SER 17 N 5.28 0.40 0.15 0.00 2.88 -0.92 -0.49 113.62 120.92 3bao n SER 17 Ca -0.07 0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 58.00 3bao n SER 17 Cb 0.51 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 3bao n SER 17 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3bao h ASN 18 N 0.00 -0.37 -0.00 -3.46 -1.24 -1.80 -3.38 115.58 105.33 3bao h ASN 18 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.86 3bao h ASN 18 Cb 0.16 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.30 3bao h ASN 18 CO 0.00 0.09 -0.01 0.61 -1.29 0.00 0.00 177.43 176.83 3bao n GLY 19 N 0.25 -0.91 1.51 1.57 0.00 -1.23 -4.79 105.19 101.60 3bao n GLY 19 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3bao n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bao n GLY 20 N 0.26 0.59 3.86 -0.02 0.00 0.35 -5.02 105.19 105.21 3bao n GLY 20 Ca 0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3bao n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bao s HIS 21 N -2.00 3.43 -0.10 1.61 3.76 -1.22 -4.70 115.29 116.07 3bao s HIS 21 Ca 0.00 1.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.94 3bao s HIS 21 Cb 0.00 -2.49 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 3bao s HIS 21 CO 0.00 -0.03 0.24 -0.06 -0.85 0.00 0.00 174.74 174.04 3bao s PHE 22 N -2.21 3.59 0.23 1.40 0.08 0.75 -0.43 117.98 121.39 3bao s PHE 22 Ca 0.53 0.65 -0.31 0.00 0.12 0.00 0.00 56.93 57.92 3bao s PHE 22 Cb -0.10 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.12 3bao s PHE 22 CO 0.25 0.59 1.55 -1.17 -0.10 0.00 0.00 175.22 176.34 3bao s LEU 23 N -0.66 4.37 -0.07 -0.37 2.96 -0.51 -1.62 118.68 122.78 3bao s LEU 23 Ca 0.17 2.75 0.02 0.00 -0.22 0.00 0.00 54.13 56.85 3bao s LEU 23 Cb -0.13 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.96 3bao s LEU 23 CO 0.06 -0.82 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.55 3bao s ARG 24 N 0.19 1.74 -0.40 1.98 3.52 0.95 -4.47 118.95 122.47 3bao s ARG 24 Ca 0.65 -0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.75 3bao s ARG 24 Cb -0.45 -1.46 0.07 0.00 -1.56 0.00 0.00 34.95 31.56 3bao s ARG 24 CO 0.40 0.01 0.22 0.42 -0.81 0.00 0.00 175.30 175.54 3bao s ILE 25 N 0.74 4.02 0.57 4.11 1.01 -0.90 -1.54 121.20 129.21 3bao s ILE 25 Ca -0.13 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 58.92 3bao s ILE 25 Cb -0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3bao s ILE 25 CO 0.03 -0.46 1.07 0.20 0.00 0.00 0.00 174.94 175.78 3bao s ASN 26 N 1.95 5.82 0.43 3.58 0.01 -0.14 -4.82 114.94 121.77 3bao s ASN 26 Ca 0.03 1.93 0.19 0.00 -0.71 0.00 0.00 52.86 54.29 3bao s ASN 26 Cb -0.22 -2.55 1.12 0.00 0.41 0.00 0.00 41.25 40.00 3bao s ASN 26 CO 0.01 -1.14 1.86 -0.65 -1.51 0.00 0.00 177.10 175.67 3bao h PRO 27 N 0.79 0.36 0.00 -0.60 0.11 -1.98 -0.29 132.00 130.38 3bao h PRO 27 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bao h PRO 27 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bao h PRO 27 CO 0.57 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3bao n ASP 28 N -4.49 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.55 3bao n ASP 28 Ca 0.19 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3bao n ASP 28 Cb 0.71 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 3bao n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bao n GLY 29 N 0.82 0.82 3.87 6.12 0.00 -0.12 -4.98 105.19 111.72 3bao n GLY 29 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3bao n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bao s THR 30 N -2.50 4.73 -0.04 2.61 -4.23 -1.26 -0.62 115.64 114.33 3bao s THR 30 Ca 0.00 0.77 0.03 0.00 -1.18 0.00 0.00 61.69 61.31 3bao s THR 30 Cb 0.00 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 70.00 3bao s THR 30 CO 0.00 -1.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.29 3bao s VAL 31 N -2.98 0.92 0.00 2.29 1.01 -1.26 -0.97 120.40 119.41 3bao s VAL 31 Ca 0.54 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3bao s VAL 31 Cb -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3bao s VAL 31 CO 0.48 0.29 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 3bao n ASP 32 N 3.47 0.00 -4.15 3.32 5.75 -0.59 -4.52 116.55 119.84 3bao n ASP 32 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.46 3bao n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 3bao n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bao s GLY 33 N 0.00 0.73 -0.00 6.12 0.00 0.38 -0.03 107.32 114.51 3bao s GLY 33 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 3bao s GLY 33 CO 0.00 -1.25 0.17 -1.08 0.00 0.00 0.00 173.10 170.94 3bao s THR 34 N -2.74 0.08 -2.05 0.90 -1.32 -0.64 -4.81 115.64 105.06 3bao s THR 34 Ca 0.05 -0.63 0.26 0.00 -1.21 0.00 0.00 61.69 60.16 3bao s THR 34 Cb -0.01 -0.46 0.30 0.00 -1.51 0.00 0.00 72.50 70.82 3bao s THR 34 CO -0.02 -0.34 1.53 0.54 -2.21 0.00 0.00 174.62 174.11 3bao n ARG 35 N 1.48 1.18 -2.53 7.08 1.74 -1.26 -0.18 116.66 124.18 3bao n ARG 35 Ca -0.22 -0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 55.69 3bao n ARG 35 Cb 0.56 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3bao n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bao s ASP 36 N -2.35 6.17 0.65 0.55 2.15 -1.26 -4.88 116.67 117.70 3bao s ASP 36 Ca 0.27 -0.29 0.43 0.00 0.43 0.00 0.00 52.55 53.39 3bao s ASP 36 Cb 0.20 -2.56 2.29 0.00 -0.30 0.00 0.00 42.92 42.55 3bao s ASP 36 CO 0.47 -1.80 2.31 0.03 -0.17 0.00 0.00 175.17 176.02 3bao h ARG 37 N 10.18 0.00 -0.01 4.34 3.08 -2.00 -1.23 114.38 128.74 3bao h ARG 37 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3bao h ARG 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3bao h ARG 37 CO 1.26 0.00 -0.06 -1.13 -1.07 0.00 0.00 179.97 178.97 3bao n SER 38 N -3.05 0.78 -4.77 7.04 3.41 -1.26 -4.90 113.62 110.86 3bao n SER 38 Ca -0.03 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.14 3bao n SER 38 Cb 0.09 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3bao n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bao s ASP 39 N -2.19 6.48 0.00 4.04 -1.08 -0.47 -4.89 116.67 118.56 3bao s ASP 39 Ca 0.36 2.85 0.26 0.00 -0.52 0.00 0.00 52.55 55.50 3bao s ASP 39 Cb 0.21 -2.66 1.03 0.00 -1.46 0.00 0.00 42.92 40.04 3bao s ASP 39 CO 0.40 -0.75 1.72 0.00 0.52 0.00 0.00 175.17 177.06 3bao n GLN 40 N 0.51 1.63 -0.32 4.34 1.13 -1.26 -3.92 117.38 119.48 3bao n GLN 40 Ca 0.01 -0.92 0.09 0.00 -1.94 0.00 0.00 57.00 54.24 3bao n GLN 40 Cb 0.41 -1.45 0.22 0.00 0.11 0.00 0.00 30.24 29.52 3bao n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bao n HIS 41 N 0.12 0.65 0.59 1.08 8.25 -1.26 -4.46 115.22 120.18 3bao n HIS 41 Ca 0.18 -0.87 0.06 0.00 -0.26 0.00 0.00 57.72 56.84 3bao n HIS 41 Cb 0.33 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3bao n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bao n ILE 42 N -0.68 0.00 -2.67 1.59 -5.35 -1.25 -2.12 119.36 108.88 3bao n ILE 42 Ca 0.19 -0.35 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 3bao n ILE 42 Cb 0.78 1.15 -0.02 0.00 -1.74 0.00 0.00 39.64 39.81 3bao n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bao s GLN 43 N -1.67 4.14 -0.02 6.28 1.11 -1.26 -4.43 119.66 123.80 3bao s GLN 43 Ca 0.11 1.15 0.07 0.00 0.01 0.00 0.00 55.36 56.70 3bao s GLN 43 Cb 0.11 -3.70 -0.02 0.00 -1.01 0.00 0.00 33.01 28.39 3bao s GLN 43 CO 0.34 -0.78 -0.23 -0.51 0.01 0.00 0.00 175.29 174.13 3bao s LEU 44 N 3.42 2.04 -0.23 2.90 1.43 -0.01 -1.80 118.68 126.43 3bao s LEU 44 Ca 0.44 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3bao s LEU 44 Cb -0.13 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 3bao s LEU 44 CO 0.11 0.28 0.03 -1.58 0.23 0.00 0.00 176.35 175.42 3bao s GLN 45 N -0.53 3.60 0.08 1.70 2.00 0.10 0.03 119.66 126.65 3bao s GLN 45 Ca 0.09 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 52.93 3bao s GLN 45 Cb -0.09 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.49 3bao s GLN 45 CO -0.01 -0.12 0.24 -0.51 -0.50 0.00 0.00 175.29 174.39 3bao s LEU 46 N 1.38 4.35 0.00 3.68 1.02 -1.26 -1.01 118.68 126.84 3bao s LEU 46 Ca 0.05 0.27 -0.08 0.00 0.02 0.00 0.00 54.13 54.39 3bao s LEU 46 Cb -0.15 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.09 3bao s LEU 46 CO 0.02 0.14 0.15 -0.94 0.02 0.00 0.00 176.35 175.74 3bao s SER 47 N -2.65 0.01 -0.23 2.29 1.04 -0.85 -4.77 113.70 108.55 3bao s SER 47 Ca 0.35 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 3bao s SER 47 Cb -0.13 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3bao s SER 47 CO 0.28 -0.38 0.28 0.00 0.98 0.00 0.00 173.24 174.41 3bao s ALA 48 N -1.38 3.58 -0.08 5.32 0.00 -1.26 -1.29 121.76 126.64 3bao s ALA 48 Ca -0.15 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3bao s ALA 48 Cb -0.07 -2.50 -0.25 0.00 0.00 0.00 0.00 23.12 20.29 3bao s ALA 48 CO 0.02 -0.30 0.51 0.93 0.00 0.00 0.00 175.76 176.91 3bao h GLU 49 N 7.56 0.17 -3.72 0.00 4.39 -1.36 -3.48 114.58 118.14 3bao h GLU 49 Ca -0.36 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 58.97 3bao h GLU 49 Cb 1.17 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.81 3bao h GLU 49 CO 0.68 0.94 -0.22 -1.12 -1.16 0.00 0.00 179.01 178.13 3bao s SER 50 N -6.68 -0.05 0.12 1.42 0.01 -1.22 -5.02 113.70 102.29 3bao s SER 50 Ca -0.15 -0.77 -0.31 0.00 1.31 0.00 0.00 55.95 56.03 3bao s SER 50 Cb 0.07 0.48 -0.10 0.00 0.21 0.00 0.00 66.02 66.68 3bao s SER 50 CO 0.80 -0.95 1.82 -0.69 0.41 0.00 0.00 173.24 174.62 3bao s VAL 51 N -3.94 2.53 0.00 3.43 1.01 -1.26 -1.15 120.40 121.02 3bao s VAL 51 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3bao s VAL 51 Cb 0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3bao s VAL 51 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3bao n GLY 52 N 4.21 0.85 3.28 4.51 0.00 -1.26 -5.01 105.19 111.76 3bao n GLY 52 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3bao n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bao s GLU 53 N -0.05 3.20 0.14 1.61 2.02 -0.30 -1.29 118.70 124.03 3bao s GLU 53 Ca 0.00 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3bao s GLU 53 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3bao s GLU 53 CO 0.00 0.13 -0.10 0.14 0.02 0.00 0.00 175.26 175.45 3bao s VAL 54 N 0.52 1.11 0.11 2.63 -7.23 0.42 -0.87 120.40 117.10 3bao s VAL 54 Ca -0.11 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 3bao s VAL 54 Cb -0.16 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3bao s VAL 54 CO 0.04 -0.76 0.09 -0.31 -0.31 0.00 0.00 175.10 173.85 3bao s TYR 55 N -3.36 3.16 -0.20 2.82 2.02 -0.42 -1.54 117.35 119.83 3bao s TYR 55 Ca 0.16 0.04 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 3bao s TYR 55 Cb 0.03 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 3bao s TYR 55 CO -0.00 0.52 -0.04 0.42 -1.57 0.00 0.00 175.55 174.88 3bao s ILE 56 N -1.51 1.19 0.00 2.71 1.01 -1.26 -2.00 121.20 121.34 3bao s ILE 56 Ca 0.30 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.15 3bao s ILE 56 Cb -0.11 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3bao s ILE 56 CO 0.22 -0.04 -0.26 -0.75 0.00 0.00 0.00 174.94 174.12 3bao s LYS 57 N 1.57 1.96 0.07 2.79 2.20 -0.18 -0.62 119.74 127.52 3bao s LYS 57 Ca -0.03 -0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 54.30 3bao s LYS 57 Cb -0.17 -1.98 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 3bao s LYS 57 CO -0.07 0.53 1.30 0.45 -0.36 0.00 0.00 175.35 177.20 3bao s SER 58 N -0.83 6.95 0.33 1.43 0.15 0.56 0.03 113.70 122.31 3bao s SER 58 Ca 0.10 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.07 3bao s SER 58 Cb -0.10 -2.58 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 3bao s SER 58 CO 0.00 -0.58 1.56 0.71 1.20 0.00 0.00 173.24 176.13 3bao h THR 59 N 4.49 0.77 0.00 6.45 1.35 -1.69 -0.01 112.91 124.26 3bao h THR 59 Ca -0.41 -1.87 -0.24 0.00 -0.55 0.00 0.00 66.41 63.34 3bao h THR 59 Cb 1.20 2.22 0.01 0.00 -1.73 0.00 0.00 68.15 69.85 3bao h THR 59 CO 0.85 0.40 -0.99 -0.08 -0.25 0.00 0.00 175.52 175.45 3bao h GLU 60 N 0.00 0.54 0.00 4.72 4.57 -1.80 -3.39 114.58 119.22 3bao h GLU 60 Ca -0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3bao h GLU 60 Cb 1.19 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3bao h GLU 60 CO 0.05 1.21 -0.23 0.25 -1.18 0.00 0.00 179.01 179.11 3bao n THR 61 N -3.79 0.00 -0.72 0.32 -2.24 -1.24 -5.01 114.28 101.60 3bao n THR 61 Ca -0.09 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3bao n THR 61 Cb 0.86 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 3bao n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bao n GLY 62 N 1.29 1.23 3.77 3.38 0.00 -0.02 -5.02 105.19 109.82 3bao n GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bao n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bao s GLN 63 N -0.13 3.88 -0.13 1.61 -0.21 -1.26 -4.67 119.66 118.75 3bao s GLN 63 Ca 0.00 1.74 -0.10 0.00 0.02 0.00 0.00 55.36 57.02 3bao s GLN 63 Cb 0.00 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 3bao s GLN 63 CO 0.00 -0.44 0.19 0.71 -2.12 0.00 0.00 175.29 173.62 3bao s TYR 64 N -1.54 3.55 0.30 0.91 1.51 0.18 -0.32 117.35 121.93 3bao s TYR 64 Ca 0.61 0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 56.92 3bao s TYR 64 Cb -0.28 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 3bao s TYR 64 CO 0.34 0.54 1.30 -1.17 -1.11 0.00 0.00 175.55 175.46 3bao s LEU 65 N -0.47 4.43 0.05 -1.29 2.96 0.21 0.02 118.68 124.59 3bao s LEU 65 Ca 0.14 2.61 -0.12 0.00 -0.22 0.00 0.00 54.13 56.55 3bao s LEU 65 Cb -0.12 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3bao s LEU 65 CO 0.03 -0.52 0.26 0.00 -1.32 0.00 0.00 176.35 174.80 3bao s ALA 66 N -0.85 -0.53 -0.15 5.97 0.00 -0.12 -4.38 121.76 121.70 3bao s ALA 66 Ca 0.51 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3bao s ALA 66 Cb -0.39 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3bao s ALA 66 CO 0.49 -0.40 -0.21 1.41 0.00 0.00 0.00 175.76 177.05 3bao s MET 67 N -2.67 3.05 1.01 0.00 1.75 -0.63 -0.53 119.30 121.28 3bao s MET 67 Ca -0.04 -0.83 -0.17 0.00 -1.25 0.00 0.00 55.69 53.40 3bao s MET 67 Cb -0.00 -2.48 0.22 0.00 2.84 0.00 0.00 34.83 35.40 3bao s MET 67 CO -0.04 -0.03 1.31 0.16 -0.65 0.00 0.00 175.02 175.76 3bao s ASP 68 N 0.88 2.71 0.63 1.11 1.47 -0.15 -4.77 116.67 118.55 3bao s ASP 68 Ca -0.05 0.28 0.40 0.00 1.18 0.00 0.00 52.55 54.35 3bao s ASP 68 Cb -0.15 -0.31 2.17 0.00 -0.34 0.00 0.00 42.92 44.29 3bao s ASP 68 CO -0.03 -2.99 2.31 0.00 0.68 0.00 0.00 175.17 175.14 3bao h THR 69 N -1.82 0.16 -0.52 2.11 1.03 -2.00 -0.26 112.91 111.60 3bao h THR 69 Ca -0.44 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3bao h THR 69 Cb 1.24 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 3bao h THR 69 CO 0.35 0.01 0.00 0.47 -0.01 0.00 0.00 175.52 176.34 3bao n ASP 70 N -3.30 4.17 0.00 0.00 8.00 -1.26 -4.96 116.55 119.20 3bao n ASP 70 Ca -0.03 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.06 3bao n ASP 70 Cb 0.10 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3bao n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bao n GLY 71 N 0.75 0.63 3.79 0.44 0.00 -0.11 -4.63 105.19 106.06 3bao n GLY 71 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3bao n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bao s LEU 72 N 0.00 4.36 0.30 0.99 1.43 -1.26 -0.39 118.68 124.11 3bao s LEU 72 Ca 0.00 0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 3bao s LEU 72 Cb 0.00 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 3bao s LEU 72 CO 0.00 0.21 1.09 -0.76 0.23 0.00 0.00 176.35 177.12 3bao s LEU 73 N -0.29 4.48 0.19 1.79 1.43 -1.26 -0.98 118.68 124.04 3bao s LEU 73 Ca 0.21 2.23 -0.10 0.00 -1.03 0.00 0.00 54.13 55.44 3bao s LEU 73 Cb -0.15 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 42.34 3bao s LEU 73 CO 0.09 -0.21 0.35 -0.72 0.23 0.00 0.00 176.35 176.08 3bao s TYR 74 N -1.25 0.38 -0.24 0.29 1.13 0.31 -4.31 117.35 113.66 3bao s TYR 74 Ca 0.47 -0.73 -0.12 0.00 -1.41 0.00 0.00 57.07 55.28 3bao s TYR 74 Cb -0.30 0.02 -0.05 0.00 -1.10 0.00 0.00 41.96 40.53 3bao s TYR 74 CO 0.39 -0.80 0.22 0.20 -2.51 0.00 0.00 175.55 173.04 3bao s GLY 75 N -2.98 1.99 -0.12 5.49 0.00 0.21 -0.95 107.32 110.96 3bao s GLY 75 Ca 0.19 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 3bao s GLY 75 CO 0.03 0.54 0.07 -0.45 0.00 0.00 0.00 173.10 173.28 3bao s SER 76 N 1.20 5.79 0.38 1.64 0.15 0.10 -4.76 113.70 118.20 3bao s SER 76 Ca 0.10 0.27 0.19 0.00 0.70 0.00 0.00 55.95 57.21 3bao s SER 76 Cb -0.14 -1.81 0.69 0.00 -1.71 0.00 0.00 66.02 63.05 3bao s SER 76 CO 0.06 0.36 1.74 1.56 1.20 0.00 0.00 173.24 178.15 3bao h GLN 77 N 5.36 0.00 -5.36 5.44 1.08 -1.91 0.53 115.11 120.25 3bao h GLN 77 Ca -0.50 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.29 3bao h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 3bao h GLN 77 CO 0.59 0.36 -0.76 0.95 -0.95 0.00 0.00 178.83 179.01 3bao s THR 78 N -3.59 1.22 0.11 -0.54 -4.23 -1.26 -4.82 115.64 102.52 3bao s THR 78 Ca 0.00 -1.57 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 3bao s THR 78 Cb 0.11 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 3bao s THR 78 CO 0.68 -0.36 1.20 -2.16 -0.54 0.00 0.00 174.62 173.44 3bao s PRO 79 N -2.37 4.45 0.24 3.99 0.04 -1.26 -4.88 135.00 135.21 3bao s PRO 79 Ca 0.05 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.94 3bao s PRO 79 Cb -0.06 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 3bao s PRO 79 CO 0.02 -0.20 0.25 0.27 0.04 0.00 0.00 177.00 177.38 3bao n ASN 80 N 3.44 -0.65 0.29 6.66 0.23 -1.26 -5.03 115.26 118.93 3bao n ASN 80 Ca 0.07 -2.48 0.16 0.00 -0.53 0.00 0.00 54.58 51.80 3bao n ASN 80 Cb 0.46 1.38 0.87 0.00 -2.08 0.00 0.00 39.78 40.41 3bao n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3bao h GLU 81 N 0.00 0.00 0.00 -3.83 5.08 -1.99 -1.05 114.58 112.79 3bao h GLU 81 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3bao h GLU 81 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3bao h GLU 81 CO 0.25 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.70 3bao n GLU 82 N -3.42 0.50 0.00 2.33 1.02 -1.26 -3.53 120.64 116.28 3bao n GLU 82 Ca -0.02 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 3bao n GLU 82 Cb 0.19 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3bao n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bao s LEU 84 N -2.52 4.35 0.04 0.00 1.43 -1.23 -4.49 118.68 116.26 3bao s LEU 84 Ca 0.19 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 3bao s LEU 84 Cb 0.18 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 3bao s LEU 84 CO 0.59 0.09 -0.17 -0.36 0.23 0.00 0.00 176.35 176.72 3bao s PHE 85 N 0.10 1.47 -0.41 0.29 0.08 -0.59 -1.27 117.98 117.64 3bao s PHE 85 Ca 0.27 -0.35 -0.22 0.00 0.12 0.00 0.00 56.93 56.75 3bao s PHE 85 Cb -0.16 -0.88 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 3bao s PHE 85 CO 0.13 0.05 0.71 -0.51 -0.10 0.00 0.00 175.22 175.50 3bao s LEU 86 N -1.09 4.31 -0.27 -0.37 1.43 0.11 -0.44 118.68 122.36 3bao s LEU 86 Ca 0.04 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3bao s LEU 86 Cb -0.08 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 3bao s LEU 86 CO 0.01 -0.77 0.61 -0.70 0.23 0.00 0.00 176.35 175.73 3bao s GLU 87 N 2.99 4.05 0.12 1.70 2.12 -0.41 -1.45 118.70 127.81 3bao s GLU 87 Ca 0.27 0.45 0.04 0.00 0.36 0.00 0.00 54.97 56.08 3bao s GLU 87 Cb -0.13 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 3bao s GLU 87 CO 0.19 -0.45 -0.10 1.03 -0.54 0.00 0.00 175.26 175.39 3bao s ARG 88 N 2.51 0.94 0.37 4.30 1.81 -0.21 -4.67 118.95 123.99 3bao s ARG 88 Ca 0.25 -1.31 -0.24 0.00 -1.72 0.00 0.00 55.73 52.71 3bao s ARG 88 Cb -0.15 -0.53 -0.10 0.00 -0.45 0.00 0.00 34.95 33.72 3bao s ARG 88 CO 0.09 0.07 0.97 -1.17 -0.68 0.00 0.00 175.30 174.58 3bao s LEU 89 N -2.83 4.19 -0.02 2.53 2.96 -0.15 -0.94 118.68 124.41 3bao s LEU 89 Ca 0.11 1.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3bao s LEU 89 Cb 0.01 -4.19 0.00 0.00 0.50 0.00 0.00 46.19 42.51 3bao s LEU 89 CO -0.00 -0.24 0.05 -0.70 -1.32 0.00 0.00 176.35 174.13 3bao s GLU 90 N -2.45 0.08 -1.38 1.98 2.56 0.64 -4.83 118.70 115.30 3bao s GLU 90 Ca 0.55 0.04 -0.09 0.00 0.00 0.00 0.00 54.97 55.46 3bao s GLU 90 Cb -0.17 0.04 0.07 0.00 2.00 0.00 0.00 34.13 36.06 3bao s GLU 90 CO 0.22 -0.01 0.59 0.39 -0.56 0.00 0.00 175.26 175.89 3bao n GLU 91 N 2.97 -3.95 -2.70 4.30 1.02 -1.26 -0.94 120.64 120.07 3bao n GLU 91 Ca -0.13 0.57 -0.18 0.00 -0.02 0.00 0.00 57.16 57.40 3bao n GLU 91 Cb 0.59 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 3bao n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bao n ASN 92 N -2.42 -4.61 0.00 1.62 4.13 -1.26 -4.60 115.26 108.12 3bao n ASN 92 Ca -0.02 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.21 3bao n ASN 92 Cb 0.55 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.95 3bao n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bao n HIS 93 N -3.79 -1.65 -2.49 3.10 -0.00 -0.36 -5.16 115.22 104.89 3bao n HIS 93 Ca -0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.33 3bao n HIS 93 Cb 0.61 0.33 0.04 0.00 -0.00 0.00 0.00 29.99 30.97 3bao n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3bao s TYR 94 N -1.74 3.13 -0.10 1.57 1.51 -0.12 -4.83 117.35 116.77 3bao s TYR 94 Ca 0.00 0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 56.48 3bao s TYR 94 Cb 0.00 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 3bao s TYR 94 CO 0.00 -0.87 0.01 -0.80 -1.11 0.00 0.00 175.55 172.78 3bao s ASN 95 N -4.35 5.30 0.19 2.29 -0.87 0.41 -0.26 114.94 117.65 3bao s ASN 95 Ca 0.55 0.14 0.09 0.00 -1.57 0.00 0.00 52.86 52.06 3bao s ASN 95 Cb -0.10 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.51 3bao s ASN 95 CO 0.43 0.35 -0.18 0.42 -2.57 0.00 0.00 177.10 175.54 3bao s THR 96 N -0.69 1.95 -0.19 1.60 -4.23 -0.12 -0.87 115.64 113.09 3bao s THR 96 Ca 0.11 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3bao s THR 96 Cb -0.12 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.81 3bao s THR 96 CO 0.02 -0.36 0.01 -0.31 -0.54 0.00 0.00 174.62 173.45 3bao s TYR 97 N -2.24 1.28 -0.14 3.99 2.02 -1.26 -1.04 117.35 119.96 3bao s TYR 97 Ca 0.19 -0.99 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3bao s TYR 97 Cb -0.05 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 3bao s TYR 97 CO 0.08 -0.62 0.11 0.42 -1.57 0.00 0.00 175.55 173.97 3bao s ILE 98 N 1.77 5.24 0.02 2.71 1.01 -0.53 -1.16 121.20 130.26 3bao s ILE 98 Ca -0.01 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 3bao s ILE 98 Cb -0.17 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3bao s ILE 98 CO -0.07 0.56 1.98 -0.24 0.00 0.00 0.00 174.94 177.16 3bao n SER 99 N 2.51 4.09 -0.24 3.58 2.88 -0.16 0.04 113.62 126.31 3bao n SER 99 Ca -0.19 0.89 -0.06 0.00 -1.33 0.00 0.00 58.87 58.18 3bao n SER 99 Cb 0.54 -1.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.53 3bao n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bao h LYS 100 N 10.62 0.96 -0.60 -1.46 3.64 -1.50 0.21 116.57 128.44 3bao h LYS 100 Ca -0.50 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 58.78 3bao h LYS 100 Cb 1.24 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3bao h LYS 100 CO 0.94 0.76 0.40 -0.22 -2.27 0.00 0.00 179.45 179.06 3bao h LYS 101 N 0.93 0.68 -0.23 1.90 1.63 -1.77 -2.49 116.57 117.22 3bao h LYS 101 Ca 0.23 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.88 3bao h LYS 101 Cb 0.12 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 3bao h LYS 101 CO -0.03 0.45 -0.19 0.72 -3.45 0.00 0.00 179.45 176.95 3bao n HIS 102 N -4.46 0.72 -0.10 1.91 8.25 -1.09 -4.76 115.22 115.70 3bao n HIS 102 Ca 0.07 -1.50 0.11 0.00 -0.26 0.00 0.00 57.72 56.14 3bao n HIS 102 Cb 0.14 -0.40 0.47 0.00 1.12 0.00 0.00 29.99 31.33 3bao n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bao h ALA 103 N 1.00 1.95 0.00 -1.41 0.00 -0.47 -1.04 119.26 119.30 3bao h ALA 103 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bao h ALA 103 Cb 1.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3bao h ALA 103 CO 0.25 -0.08 -0.01 1.05 0.00 0.00 0.00 179.25 180.46 3bao h GLU 104 N 0.47 0.00 -0.02 0.00 9.09 -1.85 -2.13 114.58 120.13 3bao h GLU 104 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3bao h GLU 104 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3bao h GLU 104 CO -0.08 0.01 -0.05 1.63 0.05 0.00 0.00 179.01 180.56 3bao n LYS 105 N -3.11 1.92 -3.57 1.06 5.02 -0.40 -4.99 118.16 114.09 3bao n LYS 105 Ca -0.00 -1.44 -0.20 0.00 -2.02 0.00 0.00 58.31 54.65 3bao n LYS 105 Cb 0.25 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 3bao n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bao n ASN 106 N 0.72 -2.26 -4.62 4.39 4.13 -0.80 -4.95 115.26 111.87 3bao n ASN 106 Ca 0.15 -0.76 -0.39 0.00 1.68 0.00 0.00 54.58 55.27 3bao n ASN 106 Cb 0.49 -4.45 -0.09 0.00 -1.54 0.00 0.00 39.78 34.18 3bao n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3bao s TRP 107 N -3.54 3.27 0.25 3.10 0.52 -1.24 -4.45 118.94 116.84 3bao s TRP 107 Ca 0.08 0.38 0.09 0.00 0.02 0.00 0.00 56.10 56.67 3bao s TRP 107 Cb -0.02 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 3bao s TRP 107 CO 0.78 -0.16 0.02 -0.06 0.02 0.00 0.00 176.95 177.56 3bao s PHE 108 N 1.81 2.78 0.07 -1.98 0.40 -1.26 -0.99 117.98 118.81 3bao s PHE 108 Ca 0.14 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.98 3bao s PHE 108 Cb -0.15 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 3bao s PHE 108 CO 0.09 0.59 1.05 0.08 0.70 0.00 0.00 175.22 177.72 3bao s VAL 109 N -2.17 4.43 -0.01 -0.44 1.01 -0.31 -4.65 120.40 118.26 3bao s VAL 109 Ca 0.31 1.85 -0.26 0.00 0.00 0.00 0.00 61.98 63.88 3bao s VAL 109 Cb -0.07 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.18 3bao s VAL 109 CO 0.20 0.20 0.57 -0.83 0.00 0.00 0.00 175.10 175.25 3bao s GLY 110 N 0.61 -0.47 -0.04 4.51 0.00 -1.26 -4.40 107.32 106.26 3bao s GLY 110 Ca 0.52 0.93 0.05 0.00 0.00 0.00 0.00 44.72 46.22 3bao s GLY 110 CO 0.30 0.61 -0.21 1.08 0.00 0.00 0.00 173.10 174.88 3bao s LEU 111 N -1.50 2.00 0.75 0.66 1.43 -0.49 -1.09 118.68 120.44 3bao s LEU 111 Ca -0.09 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 3bao s LEU 111 Cb -0.01 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 45.10 3bao s LEU 111 CO 0.05 0.21 1.12 -0.54 0.23 0.00 0.00 176.35 177.42 3bao s LYS 112 N -0.16 2.51 0.58 1.70 1.02 0.26 -4.44 119.74 121.21 3bao s LYS 112 Ca -0.01 0.37 0.30 0.00 0.02 0.00 0.00 55.97 56.65 3bao s LYS 112 Cb -0.12 -1.99 1.75 0.00 -0.52 0.00 0.00 37.83 36.96 3bao s LYS 112 CO 0.02 -1.26 2.22 0.87 -0.92 0.00 0.00 175.35 176.27 3bao h LYS 113 N -0.82 0.00 -0.22 1.68 1.57 -1.87 -1.71 116.57 115.20 3bao h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3bao h LYS 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3bao h LYS 113 CO 0.64 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 3bao n ASN 114 N -3.78 1.49 0.00 0.86 0.23 -1.26 -4.67 115.26 108.13 3bao n ASN 114 Ca -0.03 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 3bao n ASN 114 Cb 0.12 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 3bao n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bao n GLY 115 N 1.02 0.87 3.88 4.83 0.00 -0.64 -5.00 105.19 110.15 3bao n GLY 115 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3bao n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bao s SER 116 N -3.00 6.60 0.46 1.61 1.04 -1.26 -0.47 113.70 118.68 3bao s SER 116 Ca 0.00 0.84 -0.20 0.00 0.48 0.00 0.00 55.95 57.07 3bao s SER 116 Cb 0.00 -2.19 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 3bao s SER 116 CO 0.00 -0.04 1.00 0.00 0.98 0.00 0.00 173.24 175.17 3bao s LYS 118 N -3.26 4.07 0.24 0.00 1.02 -0.25 -4.83 119.74 116.73 3bao s LYS 118 Ca 0.64 0.71 -0.27 0.00 0.02 0.00 0.00 55.97 57.07 3bao s LYS 118 Cb -0.13 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 3bao s LYS 118 CO 0.18 0.25 0.88 0.50 -0.92 0.00 0.00 175.35 176.24 3bao s ARG 119 N -2.61 4.67 0.23 1.68 3.52 -1.26 -4.67 118.95 120.51 3bao s ARG 119 Ca 0.50 1.31 -0.17 0.00 -0.13 0.00 0.00 55.73 57.24 3bao s ARG 119 Cb -0.12 -3.13 0.25 0.00 -1.56 0.00 0.00 34.95 30.39 3bao s ARG 119 CO 0.19 0.47 1.55 0.78 -0.81 0.00 0.00 175.30 177.48 3bao h GLY 120 N 3.90 0.11 1.93 8.12 0.00 -0.98 0.15 103.07 116.30 3bao h GLY 120 Ca -0.46 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3bao h GLY 120 CO 0.67 -0.21 0.03 -2.55 0.00 0.00 0.00 176.54 174.47 3bao h PRO 121 N -0.01 0.00 -0.01 4.80 0.11 -1.88 -1.46 132.00 133.56 3bao h PRO 121 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3bao h PRO 121 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3bao h PRO 121 CO -0.97 0.00 -0.08 0.54 -0.21 0.00 0.00 178.00 177.27 3bao n ARG 122 N -3.30 1.39 -3.77 1.05 5.12 0.53 -4.87 116.66 112.81 3bao n ARG 122 Ca -0.03 -0.80 -0.23 0.00 -1.93 0.00 0.00 57.85 54.87 3bao n ARG 122 Cb 0.11 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 3bao n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bao s THR 123 N -2.16 5.21 -0.05 0.55 -4.23 -0.55 -4.94 115.64 109.47 3bao s THR 123 Ca 0.34 -0.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.77 3bao s THR 123 Cb 0.20 -3.85 0.11 0.00 1.34 0.00 0.00 72.50 70.31 3bao s THR 123 CO 0.40 -0.37 1.05 -1.38 -0.54 0.00 0.00 174.62 173.77 3bao s HIS 124 N -2.06 -0.21 0.47 3.99 -3.43 -1.26 -4.82 115.29 107.96 3bao s HIS 124 Ca 0.36 0.09 -0.24 0.00 -0.80 0.00 0.00 55.06 54.47 3bao s HIS 124 Cb -0.09 0.54 -0.08 0.00 -1.43 0.00 0.00 32.58 31.52 3bao s HIS 124 CO 0.31 -0.43 1.18 0.66 -2.00 0.00 0.00 174.74 174.46 3bao n TYR 125 N -0.25 1.76 0.00 0.38 4.01 -1.26 -2.79 117.16 119.02 3bao n TYR 125 Ca -0.05 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3bao n TYR 125 Cb 0.61 -2.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 3bao n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bao n GLY 126 N 0.95 2.24 3.84 2.72 0.00 -1.26 -5.07 105.19 108.61 3bao n GLY 126 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3bao n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bao s GLN 127 N -0.95 3.80 0.30 1.61 -0.21 -1.12 -4.98 119.66 118.11 3bao s GLN 127 Ca 0.00 0.95 0.18 0.00 0.02 0.00 0.00 55.36 56.51 3bao s GLN 127 Cb 0.00 -2.11 0.12 0.00 1.00 0.00 0.00 33.01 32.02 3bao s GLN 127 CO 0.00 -0.40 1.39 0.87 -2.12 0.00 0.00 175.29 175.03 3bao h LYS 128 N 0.62 0.00 0.00 2.91 1.79 -1.97 -3.34 116.57 116.58 3bao h LYS 128 Ca -0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3bao h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3bao h LYS 128 CO 0.61 0.27 -0.12 0.00 -1.08 0.00 0.00 179.45 179.14 3bao h ALA 129 N 1.70 1.38 -0.01 3.86 0.00 -1.94 -2.55 119.26 121.69 3bao h ALA 129 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3bao h ALA 129 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3bao h ALA 129 CO 0.04 0.14 -0.12 0.44 0.00 0.00 0.00 179.25 179.75 3bao n ILE 130 N -3.78 0.00 -3.19 0.00 -5.35 -1.25 -1.39 119.36 104.39 3bao n ILE 130 Ca -0.02 -0.19 -0.40 0.00 -0.27 0.00 0.00 62.75 61.87 3bao n ILE 130 Cb 0.22 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.51 3bao n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bao s LEU 131 N -2.24 4.08 0.18 7.28 1.43 -0.96 -4.42 118.68 124.03 3bao s LEU 131 Ca 0.31 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 3bao s LEU 131 Cb 0.20 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 3bao s LEU 131 CO 0.42 -0.28 -0.21 -0.36 0.23 0.00 0.00 176.35 176.15 3bao s PHE 132 N 2.17 2.02 -0.12 0.29 0.40 -0.05 -2.17 117.98 120.52 3bao s PHE 132 Ca 0.24 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3bao s PHE 132 Cb -0.16 -1.00 0.02 0.00 0.51 0.00 0.00 43.02 42.39 3bao s PHE 132 CO 0.09 0.41 -0.14 -0.51 0.70 0.00 0.00 175.22 175.77 3bao s LEU 133 N -2.68 1.62 -0.42 -0.37 1.43 0.26 -0.44 118.68 118.07 3bao s LEU 133 Ca 0.18 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 3bao s LEU 133 Cb -0.07 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3bao s LEU 133 CO 0.08 -0.03 1.21 -2.16 0.23 0.00 0.00 176.35 175.68 3bao s PRO 134 N 1.23 3.75 0.09 1.29 0.04 -1.26 -1.44 135.00 138.70 3bao s PRO 134 Ca -0.02 0.79 0.02 0.00 0.04 0.00 0.00 61.00 61.83 3bao s PRO 134 Cb -0.14 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 3bao s PRO 134 CO -0.05 -1.34 0.13 -0.51 0.04 0.00 0.00 177.00 175.28 3bao s LEU 135 N 4.57 4.00 0.63 -3.56 1.43 0.56 -4.88 118.68 121.41 3bao s LEU 135 Ca 0.51 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 3bao s LEU 135 Cb -0.10 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3bao s LEU 135 CO 0.29 0.16 1.17 -2.84 0.23 0.00 0.00 176.35 175.36 3bao s PRO 136 N -2.54 2.84 0.00 1.29 0.02 -1.26 -0.50 135.00 134.86 3bao s PRO 136 Ca 0.31 1.68 0.32 0.00 0.02 0.00 0.00 61.00 63.33 3bao s PRO 136 Cb -0.12 -1.93 1.86 0.00 0.02 0.00 0.00 34.50 34.33 3bao s PRO 136 CO 0.24 -1.27 2.20 1.33 -0.33 0.00 0.00 177.00 179.17