#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bag n PHE 1 N 0.00 1.29 -2.73 -1.40 7.35 -1.26 -5.03 117.46 115.68 3bag n PHE 1 Ca 0.00 -1.75 -0.43 0.00 -0.76 0.00 0.00 57.45 54.51 3bag n PHE 1 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.55 3bag n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3bag s ASN 2 N -3.31 7.08 0.03 -2.13 0.01 -1.26 -5.03 114.94 110.32 3bag s ASN 2 Ca 0.38 1.34 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 3bag s ASN 2 Cb 0.37 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3bag s ASN 2 CO -0.04 -0.57 0.05 -0.76 -1.51 0.00 0.00 177.10 174.27 3bag s LEU 3 N 2.76 3.72 0.70 0.60 1.43 -1.26 -0.92 118.68 125.71 3bag s LEU 3 Ca 0.43 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 3bag s LEU 3 Cb -0.16 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3bag s LEU 3 CO 0.10 0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 3bag s PRO 4 N -1.90 2.89 0.80 1.29 0.04 -1.26 -4.59 135.00 132.27 3bag s PRO 4 Ca 0.24 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 3bag s PRO 4 Cb -0.12 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.52 3bag s PRO 4 CO 0.15 -1.10 1.15 -1.25 0.04 0.00 0.00 177.00 176.00 3bag s PRO 5 N -5.12 1.85 0.00 0.56 0.04 -1.26 -4.95 135.00 126.12 3bag s PRO 5 Ca 0.58 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3bag s PRO 5 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3bag s PRO 5 CO 0.54 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3bag n GLY 6 N -3.26 2.28 0.00 0.56 0.00 -1.26 -5.10 105.19 98.41 3bag n GLY 6 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3bag n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bag n ASN 7 N 0.00 0.89 -0.56 1.61 0.23 -1.26 -5.06 115.26 111.11 3bag n ASN 7 Ca 0.00 -0.83 0.08 0.00 -0.53 0.00 0.00 54.58 53.30 3bag n ASN 7 Cb 0.00 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 37.90 3bag n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3bag n TYR 8 N 0.00 0.50 -0.28 -2.53 4.01 -1.26 -4.70 117.16 112.90 3bag n TYR 8 Ca 0.00 -1.06 -0.02 0.00 -0.16 0.00 0.00 57.90 56.66 3bag n TYR 8 Cb 0.00 -0.26 0.15 0.00 -0.31 0.00 0.00 39.34 38.92 3bag n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3bag h LYS 9 N 0.90 1.13 -5.67 -0.72 1.57 -1.97 -3.45 116.57 108.36 3bag h LYS 9 Ca 0.03 -0.11 -0.50 0.00 -1.87 0.00 0.00 60.65 58.19 3bag h LYS 9 Cb 1.25 -0.23 -0.14 0.00 0.08 0.00 0.00 32.23 33.19 3bag h LYS 9 CO 0.13 0.81 -0.71 0.15 -0.57 0.00 0.00 179.45 179.26 3bag s LYS 10 N -5.80 1.50 0.81 3.15 1.02 -1.26 -5.13 119.74 114.04 3bag s LYS 10 Ca -0.12 -1.72 -0.11 0.00 0.02 0.00 0.00 55.97 54.04 3bag s LYS 10 Cb 0.17 -1.28 0.08 0.00 -0.52 0.00 0.00 37.83 36.28 3bag s LYS 10 CO 0.81 0.15 1.09 -1.25 -0.92 0.00 0.00 175.35 175.23 3bag s PRO 11 N -3.65 1.94 0.33 -1.68 0.04 -1.26 -4.74 135.00 125.97 3bag s PRO 11 Ca 0.27 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 3bag s PRO 11 Cb 0.01 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3bag s PRO 11 CO 0.11 -1.76 0.58 -1.59 0.04 0.00 0.00 177.00 174.37 3bag s LYS 12 N -5.04 1.90 -0.04 4.56 0.00 0.47 -4.35 119.74 117.23 3bag s LYS 12 Ca 0.61 -1.49 -0.00 0.00 0.00 0.00 0.00 55.97 55.09 3bag s LYS 12 Cb -0.16 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 3bag s LYS 12 CO 0.55 -0.82 0.01 -0.51 0.00 0.00 0.00 175.35 174.58 3bag s LEU 13 N -3.11 3.61 -0.44 2.77 1.43 0.76 -1.21 118.68 122.48 3bag s LEU 13 Ca 0.23 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3bag s LEU 13 Cb -0.02 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.33 3bag s LEU 13 CO 0.14 0.32 0.30 -0.76 0.23 0.00 0.00 176.35 176.58 3bag s LEU 14 N -1.28 5.40 -0.26 1.79 1.43 -1.26 -0.05 118.68 124.44 3bag s LEU 14 Ca 0.17 -1.70 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 3bag s LEU 14 Cb -0.11 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3bag s LEU 14 CO 0.07 -0.61 0.49 -0.47 0.23 0.00 0.00 176.35 176.06 3bag s TYR 15 N 1.39 3.27 -0.40 0.29 5.04 -0.36 -1.10 117.35 125.47 3bag s TYR 15 Ca 0.04 0.61 -0.23 0.00 -2.44 0.00 0.00 57.07 55.05 3bag s TYR 15 Cb -0.24 -2.69 0.02 0.00 0.35 0.00 0.00 41.96 39.40 3bag s TYR 15 CO 0.01 -0.25 0.79 0.00 -1.34 0.00 0.00 175.55 174.76 3bag n SER 17 N 6.58 0.38 0.14 0.00 3.41 -0.93 -1.00 113.62 122.19 3bag n SER 17 Ca 0.03 0.63 -0.06 0.00 -0.26 0.00 0.00 58.87 59.21 3bag n SER 17 Cb 0.48 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3bag n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3bag h ASN 18 N 0.00 -0.30 -0.02 4.04 -1.24 -1.78 -3.36 115.58 112.93 3bag h ASN 18 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3bag h ASN 18 Cb 0.16 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3bag h ASN 18 CO 0.00 -0.21 -0.12 0.61 -1.29 0.00 0.00 177.43 176.42 3bag n GLY 19 N -0.94 0.10 1.46 1.57 0.00 -1.23 -4.87 105.19 101.29 3bag n GLY 19 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3bag n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bag n GLY 20 N 1.00 0.66 3.89 -0.02 0.00 -0.17 -4.99 105.19 105.56 3bag n GLY 20 Ca 0.08 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3bag n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bag s HIS 21 N -2.00 3.49 -0.02 1.61 3.76 -1.12 -4.61 115.29 116.39 3bag s HIS 21 Ca 0.00 0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 55.02 3bag s HIS 21 Cb 0.00 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 3bag s HIS 21 CO 0.00 0.61 0.50 -0.06 -0.85 0.00 0.00 174.74 174.94 3bag s PHE 22 N -1.38 3.67 0.21 1.40 0.08 0.18 -0.30 117.98 121.85 3bag s PHE 22 Ca 0.29 1.06 -0.30 0.00 0.12 0.00 0.00 56.93 58.10 3bag s PHE 22 Cb -0.13 -2.47 -0.10 0.00 -0.57 0.00 0.00 43.02 39.76 3bag s PHE 22 CO 0.21 0.44 1.43 -1.17 -0.10 0.00 0.00 175.22 176.03 3bag s LEU 23 N -0.42 4.39 -0.03 -0.37 2.96 -0.26 -1.17 118.68 123.78 3bag s LEU 23 Ca 0.27 2.58 0.03 0.00 -0.22 0.00 0.00 54.13 56.78 3bag s LEU 23 Cb -0.17 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3bag s LEU 23 CO 0.14 -0.68 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.78 3bag s ARG 24 N 0.03 1.15 -0.33 1.98 3.52 0.43 -4.51 118.95 121.22 3bag s ARG 24 Ca 0.61 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 3bag s ARG 24 Cb -0.41 -1.05 0.07 0.00 -1.56 0.00 0.00 34.95 32.00 3bag s ARG 24 CO 0.39 0.15 0.05 0.42 -0.81 0.00 0.00 175.30 175.50 3bag s ILE 25 N 0.14 2.87 0.65 4.11 1.01 -0.76 -1.64 121.20 127.57 3bag s ILE 25 Ca -0.03 -1.73 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 3bag s ILE 25 Cb -0.09 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3bag s ILE 25 CO 0.01 -0.32 1.06 -0.76 0.00 0.00 0.00 174.94 174.93 3bag s LEU 26 N 1.15 3.30 0.48 2.97 1.43 0.94 -4.83 118.68 124.12 3bag s LEU 26 Ca 0.00 1.71 0.20 0.00 -1.03 0.00 0.00 54.13 55.02 3bag s LEU 26 Cb -0.20 -4.51 1.22 0.00 0.03 0.00 0.00 46.19 42.72 3bag s LEU 26 CO -0.03 -1.33 1.96 -0.65 0.23 0.00 0.00 176.35 176.53 3bag h PRO 27 N -0.19 0.21 -0.01 1.29 0.11 -1.98 -0.05 132.00 131.38 3bag h PRO 27 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bag h PRO 27 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bag h PRO 27 CO 0.57 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 3bag n ASP 28 N -4.43 0.27 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.96 3bag n ASP 28 Ca 0.12 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3bag n ASP 28 Cb 0.56 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3bag n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bag n GLY 29 N 0.99 0.66 3.78 6.12 0.00 -0.03 -4.97 105.19 111.74 3bag n GLY 29 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3bag n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bag s THR 30 N -2.53 3.55 -0.06 2.61 2.01 -1.24 -1.04 115.64 118.94 3bag s THR 30 Ca 0.00 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.18 3bag s THR 30 Cb 0.00 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 3bag s THR 30 CO 0.00 -0.04 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.01 3bag s VAL 31 N -1.68 1.60 0.00 3.82 1.01 -1.26 -0.04 120.40 123.84 3bag s VAL 31 Ca 0.61 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3bag s VAL 31 Cb -0.23 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3bag s VAL 31 CO 0.28 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.94 3bag n ASP 32 N 3.32 0.00 -4.15 3.32 5.75 -0.65 -4.48 116.55 119.65 3bag n ASP 32 Ca -0.19 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.43 3bag n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3bag n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bag s GLY 33 N -0.05 0.79 0.04 6.12 0.00 0.07 -0.43 107.32 113.86 3bag s GLY 33 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3bag s GLY 33 CO 0.00 -1.09 -0.07 -1.08 0.00 0.00 0.00 173.10 170.86 3bag s THR 34 N -1.80 0.43 -1.06 0.90 -1.32 -0.32 -4.84 115.64 107.64 3bag s THR 34 Ca -0.00 -1.05 0.26 0.00 -1.21 0.00 0.00 61.69 59.69 3bag s THR 34 Cb -0.07 -0.54 0.08 0.00 -1.51 0.00 0.00 72.50 70.46 3bag s THR 34 CO 0.01 -0.42 1.53 0.54 -2.21 0.00 0.00 174.62 174.07 3bag n ARG 35 N 1.47 0.07 -2.18 7.08 1.74 -1.26 -0.64 116.66 122.94 3bag n ARG 35 Ca -0.23 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.42 3bag n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3bag n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bag s ASP 36 N -2.96 5.59 0.10 0.55 2.15 -1.26 -4.85 116.67 116.00 3bag s ASP 36 Ca 0.13 0.26 0.16 0.00 0.43 0.00 0.00 52.55 53.53 3bag s ASP 36 Cb 0.18 -2.54 0.71 0.00 -0.30 0.00 0.00 42.92 40.97 3bag s ASP 36 CO 0.65 -2.14 1.51 -1.14 -0.17 0.00 0.00 175.17 173.88 3bag n ARG 37 N 9.09 0.07 0.00 4.34 0.63 -1.26 -1.90 116.66 127.64 3bag n ARG 37 Ca 0.16 0.36 0.13 0.00 -0.92 0.00 0.00 57.85 57.58 3bag n ARG 37 Cb 0.51 -1.65 0.41 0.00 0.45 0.00 0.00 32.46 32.18 3bag n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3bag n SER 38 N -1.79 1.65 -4.71 6.15 3.41 -1.26 -4.94 113.62 112.12 3bag n SER 38 Ca 0.02 -1.45 -0.43 0.00 -0.26 0.00 0.00 58.87 56.76 3bag n SER 38 Cb 0.16 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 3bag n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bag n ASP 39 N 0.17 3.25 -0.26 4.04 -0.08 -0.80 -4.89 116.55 117.99 3bag n ASP 39 Ca 0.16 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.76 3bag n ASP 39 Cb 0.39 -1.52 0.71 0.00 2.34 0.00 0.00 41.12 43.05 3bag n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bag n GLN 40 N 1.52 1.34 -0.49 -0.67 1.13 -1.26 -3.85 117.38 115.10 3bag n GLN 40 Ca 0.08 -0.51 0.06 0.00 -1.94 0.00 0.00 57.00 54.68 3bag n GLN 40 Cb 0.35 -1.49 0.23 0.00 0.11 0.00 0.00 30.24 29.45 3bag n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bag n HIS 41 N -0.38 0.89 0.47 1.08 8.25 -1.26 -4.40 115.22 119.86 3bag n HIS 41 Ca 0.21 -1.05 0.05 0.00 -0.26 0.00 0.00 57.72 56.67 3bag n HIS 41 Cb 0.24 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3bag n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bag n ILE 42 N -0.75 0.00 -2.57 1.59 -5.35 -1.25 -1.83 119.36 109.20 3bag n ILE 42 Ca 0.24 -0.37 -0.43 0.00 -0.27 0.00 0.00 62.75 61.91 3bag n ILE 42 Cb 0.90 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.89 3bag n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bag s GLN 43 N -1.47 4.19 -0.01 6.28 1.11 -1.26 -4.50 119.66 124.00 3bag s GLN 43 Ca 0.08 1.39 0.08 0.00 0.01 0.00 0.00 55.36 56.92 3bag s GLN 43 Cb 0.08 -3.71 -0.02 0.00 -1.01 0.00 0.00 33.01 28.35 3bag s GLN 43 CO 0.28 -0.74 -0.26 -0.51 0.01 0.00 0.00 175.29 174.08 3bag s LEU 44 N 3.46 2.07 -0.28 2.90 1.43 -0.35 -1.95 118.68 125.95 3bag s LEU 44 Ca 0.48 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3bag s LEU 44 Cb -0.17 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.75 3bag s LEU 44 CO 0.11 0.31 0.00 -1.58 0.23 0.00 0.00 176.35 175.43 3bag s GLN 45 N -0.70 2.83 0.30 1.70 2.00 0.15 -0.40 119.66 125.54 3bag s GLN 45 Ca 0.10 -1.00 -0.08 0.00 -2.00 0.00 0.00 55.36 52.38 3bag s GLN 45 Cb -0.10 -3.17 -0.06 0.00 0.80 0.00 0.00 33.01 30.48 3bag s GLN 45 CO -0.01 -0.47 0.61 -0.51 -0.50 0.00 0.00 175.29 174.42 3bag s LEU 46 N 1.37 4.04 -0.00 3.68 1.02 -1.26 -1.19 118.68 126.34 3bag s LEU 46 Ca -0.00 0.91 -0.13 0.00 0.02 0.00 0.00 54.13 54.93 3bag s LEU 46 Cb -0.17 -3.72 0.02 0.00 0.02 0.00 0.00 46.19 42.33 3bag s LEU 46 CO -0.01 -0.21 0.26 -0.94 0.02 0.00 0.00 176.35 175.48 3bag s SER 47 N -2.86 -0.12 0.25 2.29 1.04 -0.81 -4.80 113.70 108.70 3bag s SER 47 Ca 0.47 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 3bag s SER 47 Cb -0.11 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3bag s SER 47 CO 0.27 -0.45 0.52 0.00 0.98 0.00 0.00 173.24 174.55 3bag s ALA 48 N -1.53 3.65 0.00 5.32 0.00 -1.26 -0.82 121.76 127.12 3bag s ALA 48 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3bag s ALA 48 Cb -0.05 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3bag s ALA 48 CO 0.02 0.35 0.00 -1.91 0.00 0.00 0.00 175.76 174.23 3bag n GLU 49 N -0.66 0.00 -2.10 0.00 4.07 -0.70 -4.89 120.64 116.36 3bag n GLU 49 Ca -0.02 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.81 3bag n GLU 49 Cb 0.53 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.02 3bag n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3bag s SER 50 N 0.36 4.24 0.22 4.31 0.01 -1.26 -4.91 113.70 116.66 3bag s SER 50 Ca 0.00 0.40 -0.32 0.00 1.31 0.00 0.00 55.95 57.34 3bag s SER 50 Cb 0.00 -0.82 -0.12 0.00 0.21 0.00 0.00 66.02 65.29 3bag s SER 50 CO 0.00 -2.00 1.66 0.52 0.41 0.00 0.00 173.24 173.82 3bag n VAL 51 N -3.23 0.25 -0.99 3.43 0.31 -1.26 -1.35 118.33 115.48 3bag n VAL 51 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3bag n VAL 51 Cb 0.60 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3bag n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bag n GLY 52 N 3.42 0.92 3.57 2.92 0.00 -1.26 -5.02 105.19 109.75 3bag n GLY 52 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3bag n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bag s GLU 53 N -0.01 3.00 0.05 1.61 2.02 -0.46 -1.19 118.70 123.71 3bag s GLU 53 Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3bag s GLU 53 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 3bag s GLU 53 CO 0.00 0.57 -0.05 0.14 0.02 0.00 0.00 175.26 175.94 3bag s VAL 54 N -0.53 0.32 0.07 2.63 -7.23 0.20 -1.73 120.40 114.13 3bag s VAL 54 Ca 0.08 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 3bag s VAL 54 Cb -0.12 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3bag s VAL 54 CO 0.02 -0.69 0.04 -0.31 -0.31 0.00 0.00 175.10 173.86 3bag s TYR 55 N -2.52 3.11 -0.26 2.82 2.02 0.00 -1.37 117.35 121.15 3bag s TYR 55 Ca -0.04 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 3bag s TYR 55 Cb -0.02 -1.60 0.07 0.00 -0.40 0.00 0.00 41.96 40.01 3bag s TYR 55 CO -0.04 0.50 -0.04 0.42 -1.57 0.00 0.00 175.55 174.82 3bag s ILE 56 N -1.33 1.67 -0.07 2.71 1.01 -1.26 -1.92 121.20 122.02 3bag s ILE 56 Ca 0.27 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.53 3bag s ILE 56 Cb -0.12 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3bag s ILE 56 CO 0.19 -0.18 -0.14 -0.75 0.00 0.00 0.00 174.94 174.06 3bag s LYS 57 N 1.31 2.67 -0.11 2.79 2.20 -0.33 -0.69 119.74 127.58 3bag s LYS 57 Ca -0.03 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 3bag s LYS 57 Cb -0.19 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 3bag s LYS 57 CO -0.07 0.54 1.45 0.45 -0.36 0.00 0.00 175.35 177.36 3bag s SER 58 N -0.52 6.81 0.28 1.43 0.15 0.31 0.32 113.70 122.48 3bag s SER 58 Ca 0.07 1.96 0.12 0.00 0.70 0.00 0.00 55.95 58.80 3bag s SER 58 Cb -0.12 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.03 3bag s SER 58 CO 0.02 -0.84 1.60 0.71 1.20 0.00 0.00 173.24 175.93 3bag h THR 59 N 5.53 1.31 -0.06 6.45 1.35 -1.72 0.19 112.91 125.96 3bag h THR 59 Ca -0.33 -2.10 -0.20 0.00 -0.55 0.00 0.00 66.41 63.23 3bag h THR 59 Cb 1.14 2.17 0.01 0.00 -1.73 0.00 0.00 68.15 69.74 3bag h THR 59 CO 0.96 0.58 -0.74 -0.08 -0.25 0.00 0.00 175.52 176.00 3bag h GLU 60 N 0.00 0.61 0.00 4.72 4.57 -1.81 -3.38 114.58 119.28 3bag h GLU 60 Ca -0.01 -0.57 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 3bag h GLU 60 Cb 1.12 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3bag h GLU 60 CO 0.08 1.19 -1.62 0.25 -1.18 0.00 0.00 179.01 177.72 3bag n THR 61 N -4.06 0.11 -0.73 0.32 -2.24 -1.23 -5.00 114.28 101.44 3bag n THR 61 Ca -0.09 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3bag n THR 61 Cb 0.73 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3bag n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bag n GLY 62 N 1.83 0.89 3.81 3.38 0.00 0.68 -5.02 105.19 110.76 3bag n GLY 62 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3bag n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bag s GLN 63 N -0.26 3.33 -0.03 1.61 -0.21 -1.26 -4.72 119.66 118.13 3bag s GLN 63 Ca 0.00 1.11 0.02 0.00 0.02 0.00 0.00 55.36 56.51 3bag s GLN 63 Cb 0.00 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 3bag s GLN 63 CO 0.00 -0.79 -0.05 0.71 -2.12 0.00 0.00 175.29 173.04 3bag s TYR 64 N -2.61 2.95 0.34 0.91 1.51 0.16 -0.53 117.35 120.09 3bag s TYR 64 Ca 0.62 0.02 -0.28 0.00 -1.01 0.00 0.00 57.07 56.41 3bag s TYR 64 Cb -0.15 -1.66 -0.10 0.00 -0.11 0.00 0.00 41.96 39.94 3bag s TYR 64 CO 0.40 0.38 1.25 -1.17 -1.11 0.00 0.00 175.55 175.30 3bag s LEU 65 N -1.20 4.38 0.04 -1.29 2.96 0.14 0.08 118.68 123.79 3bag s LEU 65 Ca 0.16 2.55 -0.11 0.00 -0.22 0.00 0.00 54.13 56.51 3bag s LEU 65 Cb -0.11 -3.74 0.01 0.00 0.50 0.00 0.00 46.19 42.85 3bag s LEU 65 CO 0.06 -0.53 0.23 0.00 -1.32 0.00 0.00 176.35 174.79 3bag s ALA 66 N -1.21 -0.47 -0.10 5.97 0.00 -0.24 -4.33 121.76 121.38 3bag s ALA 66 Ca 0.51 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3bag s ALA 66 Cb -0.37 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3bag s ALA 66 CO 0.48 -0.39 -0.22 1.41 0.00 0.00 0.00 175.76 177.05 3bag s MET 67 N -2.62 2.82 0.86 0.00 1.75 -0.41 -1.08 119.30 120.63 3bag s MET 67 Ca -0.05 -0.80 -0.10 0.00 -1.25 0.00 0.00 55.69 53.49 3bag s MET 67 Cb -0.01 -2.19 0.19 0.00 2.84 0.00 0.00 34.83 35.67 3bag s MET 67 CO -0.04 0.11 1.18 -0.40 -0.65 0.00 0.00 175.02 175.22 3bag n ASP 68 N 3.70 0.54 0.00 1.11 5.68 0.03 -4.83 116.55 122.79 3bag n ASP 68 Ca -0.20 -1.70 0.06 0.00 -0.50 0.00 0.00 54.79 52.45 3bag n ASP 68 Cb 0.52 -0.86 0.28 0.00 -1.14 0.00 0.00 41.12 39.93 3bag n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bag n THR 69 N -3.44 0.90 0.49 2.12 -2.24 -1.26 -0.94 114.28 109.91 3bag n THR 69 Ca 0.16 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 62.27 3bag n THR 69 Cb 0.57 -1.02 0.14 0.00 -2.10 0.00 0.00 70.33 67.91 3bag n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bag n ASP 70 N -1.38 2.96 0.00 3.42 8.00 -1.26 -4.97 116.55 123.32 3bag n ASP 70 Ca 0.04 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3bag n ASP 70 Cb 0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3bag n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bag n GLY 71 N 1.18 0.79 3.76 0.44 0.00 -0.12 -4.62 105.19 106.63 3bag n GLY 71 Ca 0.14 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3bag n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bag s LEU 72 N 0.00 4.05 0.47 0.99 2.01 -1.26 0.14 118.68 125.09 3bag s LEU 72 Ca 0.00 0.28 -0.21 0.00 0.01 0.00 0.00 54.13 54.21 3bag s LEU 72 Cb 0.00 -1.99 -0.09 0.00 0.01 0.00 0.00 46.19 44.12 3bag s LEU 72 CO 0.00 0.32 1.03 -0.76 1.01 0.00 0.00 176.35 177.95 3bag s LEU 73 N -0.52 3.87 0.20 1.79 1.43 -1.26 -0.79 118.68 123.41 3bag s LEU 73 Ca 0.11 1.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.90 3bag s LEU 73 Cb -0.12 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.62 3bag s LEU 73 CO 0.02 -0.72 0.64 -0.72 0.23 0.00 0.00 176.35 175.80 3bag s TYR 74 N -1.98 -0.43 -0.19 0.29 1.13 -0.24 -4.62 117.35 111.32 3bag s TYR 74 Ca 0.66 0.14 -0.16 0.00 -1.41 0.00 0.00 57.07 56.31 3bag s TYR 74 Cb -0.16 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 3bag s TYR 74 CO 0.20 -0.97 0.38 0.20 -2.51 0.00 0.00 175.55 172.85 3bag s GLY 75 N -2.80 2.14 -0.09 5.49 0.00 -0.21 -1.08 107.32 110.77 3bag s GLY 75 Ca 0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.22 3bag s GLY 75 CO -0.07 0.72 0.13 -0.45 0.00 0.00 0.00 173.10 173.43 3bag s SER 76 N 0.89 6.21 0.46 1.64 0.15 0.11 -4.74 113.70 118.42 3bag s SER 76 Ca 0.19 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3bag s SER 76 Cb -0.14 -1.96 1.09 0.00 -1.71 0.00 0.00 66.02 63.30 3bag s SER 76 CO 0.07 0.37 1.91 1.56 1.20 0.00 0.00 173.24 178.35 3bag h GLN 77 N 4.71 0.00 -5.34 5.44 1.08 -1.92 0.49 115.11 119.58 3bag h GLN 77 Ca -0.53 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.27 3bag h GLN 77 Cb 1.21 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.46 3bag h GLN 77 CO 0.60 0.21 -0.75 0.95 -0.95 0.00 0.00 178.83 178.89 3bag s THR 78 N -3.89 1.26 -0.53 -0.54 -4.23 -1.26 -4.83 115.64 101.62 3bag s THR 78 Ca -0.01 -1.69 -0.22 0.00 -1.18 0.00 0.00 61.69 58.59 3bag s THR 78 Cb 0.12 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.52 3bag s THR 78 CO 0.63 -0.43 0.81 -2.16 -0.54 0.00 0.00 174.62 172.92 3bag s PRO 79 N -2.66 3.25 0.00 3.99 0.04 -1.26 -4.78 135.00 133.59 3bag s PRO 79 Ca 0.08 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.62 3bag s PRO 79 Cb -0.05 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.43 3bag s PRO 79 CO 0.02 -1.36 0.00 0.27 0.04 0.00 0.00 177.00 175.97 3bag n ASN 80 N 6.92 1.03 0.12 6.66 0.23 -1.26 -4.99 115.26 123.97 3bag n ASN 80 Ca -0.01 -0.82 0.19 0.00 -0.53 0.00 0.00 54.58 53.40 3bag n ASN 80 Cb 0.47 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.93 3bag n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3bag h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -0.32 114.58 112.55 3bag h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bag h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bag h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 3bag n GLU 82 N -3.94 0.35 0.00 1.06 1.02 -1.26 -3.60 120.64 114.27 3bag n GLU 82 Ca 0.05 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3bag n GLU 82 Cb 0.47 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3bag n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bag s LEU 84 N -1.91 4.33 0.11 0.00 1.43 -1.24 -4.42 118.68 116.99 3bag s LEU 84 Ca 0.17 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 3bag s LEU 84 Cb 0.14 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 3bag s LEU 84 CO 0.36 0.06 -0.18 -0.36 0.23 0.00 0.00 176.35 176.46 3bag s PHE 85 N 0.24 1.61 -0.40 0.29 0.40 -0.47 -1.28 117.98 118.36 3bag s PHE 85 Ca 0.27 -0.45 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 3bag s PHE 85 Cb -0.16 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.52 3bag s PHE 85 CO 0.12 0.18 0.48 -0.51 0.70 0.00 0.00 175.22 176.20 3bag s LEU 86 N -2.05 4.66 -0.24 -0.37 1.43 0.11 -0.63 118.68 121.58 3bag s LEU 86 Ca 0.06 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3bag s LEU 86 Cb -0.09 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 3bag s LEU 86 CO 0.04 -0.58 0.44 -0.70 0.23 0.00 0.00 176.35 175.78 3bag s GLU 87 N 2.30 4.09 0.09 1.70 2.12 -0.34 -1.14 118.70 127.53 3bag s GLU 87 Ca 0.15 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.73 3bag s GLU 87 Cb -0.16 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 3bag s GLU 87 CO 0.14 -0.23 -0.10 1.03 -0.54 0.00 0.00 175.26 175.57 3bag s ARG 88 N 1.92 0.82 0.40 4.30 1.81 -0.44 -4.70 118.95 123.06 3bag s ARG 88 Ca 0.19 -1.13 -0.24 0.00 -1.72 0.00 0.00 55.73 52.83 3bag s ARG 88 Cb -0.15 -0.49 -0.09 0.00 -0.45 0.00 0.00 34.95 33.77 3bag s ARG 88 CO 0.09 0.07 1.03 -1.17 -0.68 0.00 0.00 175.30 174.65 3bag s LEU 89 N -2.40 4.13 -0.02 2.53 2.96 -0.10 -0.75 118.68 125.03 3bag s LEU 89 Ca 0.04 1.99 -0.05 0.00 -0.22 0.00 0.00 54.13 55.90 3bag s LEU 89 Cb -0.03 -4.21 0.00 0.00 0.50 0.00 0.00 46.19 42.45 3bag s LEU 89 CO -0.00 -0.46 0.12 -0.70 -1.32 0.00 0.00 176.35 173.98 3bag s GLU 90 N -2.54 0.30 -1.14 1.98 2.56 0.80 -4.82 118.70 115.84 3bag s GLU 90 Ca 0.58 -0.13 -0.07 0.00 0.00 0.00 0.00 54.97 55.35 3bag s GLU 90 Cb -0.21 0.13 0.05 0.00 2.00 0.00 0.00 34.13 36.10 3bag s GLU 90 CO 0.26 -0.06 0.34 0.39 -0.56 0.00 0.00 175.26 175.63 3bag n GLU 91 N 2.25 -3.03 -2.78 4.30 1.02 -1.26 -1.24 120.64 119.89 3bag n GLU 91 Ca -0.18 0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 57.23 3bag n GLU 91 Cb 0.57 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 3bag n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bag n ASN 92 N -2.12 -4.89 0.02 1.62 4.13 -1.26 -4.62 115.26 108.14 3bag n ASN 92 Ca -0.04 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.12 3bag n ASN 92 Cb 0.55 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.74 3bag n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bag n HIS 93 N -3.94 -2.56 -2.20 3.10 -0.00 -0.39 -5.15 115.22 104.08 3bag n HIS 93 Ca -0.13 0.14 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 3bag n HIS 93 Cb 0.62 0.78 0.11 0.00 -0.00 0.00 0.00 29.99 31.49 3bag n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3bag s TYR 94 N -2.00 2.33 -0.08 1.57 2.02 -0.38 -4.82 117.35 115.99 3bag s TYR 94 Ca 0.00 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 3bag s TYR 94 Cb 0.00 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 3bag s TYR 94 CO 0.00 -1.79 -0.06 -0.80 -1.57 0.00 0.00 175.55 171.32 3bag s ASN 95 N -4.66 4.67 0.22 2.29 -0.87 0.62 -0.14 114.94 117.07 3bag s ASN 95 Ca 0.65 -0.04 0.09 0.00 -1.57 0.00 0.00 52.86 51.99 3bag s ASN 95 Cb -0.08 -1.29 -0.05 0.00 -0.02 0.00 0.00 41.25 39.82 3bag s ASN 95 CO 0.47 0.33 -0.17 0.42 -2.57 0.00 0.00 177.10 175.57 3bag s THR 96 N -0.60 2.00 -0.16 1.60 -4.23 0.07 -1.10 115.64 113.22 3bag s THR 96 Ca 0.09 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 3bag s THR 96 Cb -0.12 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.69 3bag s THR 96 CO 0.02 -0.46 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.32 3bag s TYR 97 N -2.58 1.30 -0.15 3.99 2.02 -1.26 -1.33 117.35 119.34 3bag s TYR 97 Ca 0.23 -0.84 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 3bag s TYR 97 Cb -0.03 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 3bag s TYR 97 CO 0.09 -0.56 0.07 0.42 -1.57 0.00 0.00 175.55 174.00 3bag s ILE 98 N 1.77 4.90 -0.04 2.71 1.01 -0.29 -1.21 121.20 130.04 3bag s ILE 98 Ca 0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 60.65 60.31 3bag s ILE 98 Cb -0.15 -3.16 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 3bag s ILE 98 CO -0.07 0.53 1.82 -0.24 0.00 0.00 0.00 174.94 176.98 3bag n SER 99 N 2.89 3.36 -0.13 3.58 2.88 -0.29 0.04 113.62 125.95 3bag n SER 99 Ca -0.18 0.99 -0.11 0.00 -1.33 0.00 0.00 58.87 58.25 3bag n SER 99 Cb 0.53 -1.38 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 3bag n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bag h LYS 100 N 8.57 0.71 -0.51 -1.46 3.64 -1.51 -0.58 116.57 125.42 3bag h LYS 100 Ca -0.48 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 58.69 3bag h LYS 100 Cb 1.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3bag h LYS 100 CO 0.94 0.83 0.34 -0.22 -2.27 0.00 0.00 179.45 179.07 3bag h LYS 101 N 0.52 0.54 -0.46 1.90 3.64 -1.76 -2.70 116.57 118.25 3bag h LYS 101 Ca 0.10 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 3bag h LYS 101 Cb 0.54 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.01 3bag h LYS 101 CO 0.03 0.36 -0.47 0.72 -2.27 0.00 0.00 179.45 177.82 3bag n HIS 102 N -4.47 1.63 0.03 1.91 8.25 -1.15 -4.78 115.22 116.63 3bag n HIS 102 Ca 0.06 -1.94 0.04 0.00 -0.26 0.00 0.00 57.72 55.62 3bag n HIS 102 Cb 0.16 -0.42 0.45 0.00 1.12 0.00 0.00 29.99 31.30 3bag n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bag h ALA 103 N 1.59 1.74 0.00 -1.41 0.00 -0.75 -0.69 119.26 119.74 3bag h ALA 103 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bag h ALA 103 Cb 1.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3bag h ALA 103 CO 0.52 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 179.16 3bag n GLU 104 N -4.48 0.19 0.00 0.00 0.00 -1.26 -1.82 120.64 113.26 3bag n GLU 104 Ca 0.02 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.76 3bag n GLU 104 Cb 0.06 -1.89 0.16 0.00 0.00 0.00 0.00 31.44 29.77 3bag n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3bag n LYS 105 N -2.25 1.16 -3.62 3.44 5.02 -0.27 -4.97 118.16 116.67 3bag n LYS 105 Ca 0.01 -0.87 -0.21 0.00 -2.02 0.00 0.00 58.31 55.22 3bag n LYS 105 Cb 0.20 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3bag n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bag n ASN 106 N -0.16 -2.29 -4.61 4.39 4.13 -0.76 -4.95 115.26 111.01 3bag n ASN 106 Ca 0.11 -0.72 -0.40 0.00 1.68 0.00 0.00 54.58 55.25 3bag n ASN 106 Cb 0.43 -4.48 -0.08 0.00 -1.54 0.00 0.00 39.78 34.10 3bag n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3bag s TRP 107 N -3.50 3.25 0.25 3.10 0.51 -1.25 -4.52 118.94 116.77 3bag s TRP 107 Ca 0.12 0.48 0.08 0.00 -2.12 0.00 0.00 56.10 54.66 3bag s TRP 107 Cb -0.06 -2.65 -0.04 0.00 -0.81 0.00 0.00 33.47 29.91 3bag s TRP 107 CO 0.78 -0.27 0.12 -0.06 -0.51 0.00 0.00 176.95 177.01 3bag s PHE 108 N 2.18 2.97 0.01 -1.98 0.40 -1.26 -1.14 117.98 119.17 3bag s PHE 108 Ca 0.18 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.06 3bag s PHE 108 Cb -0.16 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3bag s PHE 108 CO 0.10 0.55 1.11 0.08 0.70 0.00 0.00 175.22 177.76 3bag s VAL 109 N -2.16 4.42 0.08 -0.44 1.01 -0.35 -4.56 120.40 118.41 3bag s VAL 109 Ca 0.32 1.74 -0.25 0.00 0.00 0.00 0.00 61.98 63.79 3bag s VAL 109 Cb -0.08 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.26 3bag s VAL 109 CO 0.23 0.11 0.60 -0.83 0.00 0.00 0.00 175.10 175.21 3bag s GLY 110 N 1.10 -0.57 -0.05 4.51 0.00 -1.26 -4.45 107.32 106.60 3bag s GLY 110 Ca 0.55 0.72 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3bag s GLY 110 CO 0.27 0.39 -0.13 1.08 0.00 0.00 0.00 173.10 174.71 3bag s LEU 111 N -2.19 1.76 1.08 0.66 1.43 -0.80 -0.46 118.68 120.15 3bag s LEU 111 Ca -0.03 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 3bag s LEU 111 Cb -0.01 -0.78 0.24 0.00 0.03 0.00 0.00 46.19 45.68 3bag s LEU 111 CO -0.05 0.08 1.22 0.54 0.23 0.00 0.00 176.35 178.37 3bag s ASN 112 N 0.34 2.04 0.52 2.29 2.20 0.20 -4.48 114.94 118.05 3bag s ASN 112 Ca -0.08 0.45 0.19 0.00 -0.94 0.00 0.00 52.86 52.48 3bag s ASN 112 Cb -0.12 -0.59 1.33 0.00 -2.00 0.00 0.00 41.25 39.86 3bag s ASN 112 CO 0.02 -3.41 2.13 0.11 -2.94 0.00 0.00 177.10 173.01 3bag h LYS 113 N -2.10 0.00 0.00 3.55 1.79 -1.89 -1.25 116.57 116.67 3bag h LYS 113 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3bag h LYS 113 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3bag h LYS 113 CO 0.36 0.05 0.00 0.00 -1.08 0.00 0.00 179.45 178.78 3bag n ALA 114 N -2.48 2.44 -0.72 3.86 0.00 -1.26 -4.60 120.51 117.75 3bag n ALA 114 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3bag n ALA 114 Cb 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3bag n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bag n GLY 115 N 1.13 0.56 3.77 0.00 0.00 -0.47 -4.98 105.19 105.20 3bag n GLY 115 Ca 0.14 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3bag n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bag s SER 116 N -2.62 5.71 0.36 1.61 0.01 -1.26 -0.76 113.70 116.76 3bag s SER 116 Ca 0.00 0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 3bag s SER 116 Cb 0.00 -1.72 -0.11 0.00 0.21 0.00 0.00 66.02 64.41 3bag s SER 116 CO 0.00 0.39 1.44 0.00 0.41 0.00 0.00 173.24 175.48 3bag s LYS 118 N -1.93 3.64 0.24 0.00 1.02 0.39 -4.80 119.74 118.31 3bag s LYS 118 Ca 0.52 0.25 -0.15 0.00 0.02 0.00 0.00 55.97 56.62 3bag s LYS 118 Cb -0.45 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.35 3bag s LYS 118 CO 0.60 -0.07 0.65 1.03 -0.92 0.00 0.00 175.35 176.64 3bag s ARG 119 N -4.23 4.01 0.25 1.68 0.52 -1.26 -4.66 118.95 115.26 3bag s ARG 119 Ca 0.48 0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 56.19 3bag s ARG 119 Cb -0.10 -2.69 0.39 0.00 0.52 0.00 0.00 34.95 33.07 3bag s ARG 119 CO 0.37 0.32 1.61 0.78 0.02 0.00 0.00 175.30 178.40 3bag h GLY 120 N 2.87 0.70 2.00 -3.53 0.00 -0.55 0.68 103.07 105.24 3bag h GLY 120 Ca -0.48 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3bag h GLY 120 CO 0.66 -0.31 -0.01 -2.55 0.00 0.00 0.00 176.54 174.33 3bag h PRO 121 N 0.03 0.00 -0.17 4.80 0.11 -1.84 -1.21 132.00 133.72 3bag h PRO 121 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3bag h PRO 121 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3bag h PRO 121 CO -0.78 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 177.56 3bag n ARG 122 N -3.15 2.06 -4.05 1.05 5.12 0.21 -4.91 116.66 113.00 3bag n ARG 122 Ca -0.02 -1.58 -0.23 0.00 -1.93 0.00 0.00 57.85 54.08 3bag n ARG 122 Cb 0.13 -1.46 -0.04 0.00 -1.16 0.00 0.00 32.46 29.93 3bag n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bag s THR 123 N -1.80 4.75 -0.10 0.55 -4.23 -0.46 -4.90 115.64 109.46 3bag s THR 123 Ca 0.34 -1.14 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 3bag s THR 123 Cb 0.20 -3.52 0.12 0.00 1.34 0.00 0.00 72.50 70.64 3bag s THR 123 CO 0.30 -0.25 1.03 -1.38 -0.54 0.00 0.00 174.62 173.78 3bag s HIS 124 N -1.95 -0.26 0.49 3.99 -3.43 -1.26 -4.83 115.29 108.03 3bag s HIS 124 Ca 0.33 0.21 -0.22 0.00 -0.80 0.00 0.00 55.06 54.58 3bag s HIS 124 Cb -0.09 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 3bag s HIS 124 CO 0.26 -0.38 0.95 0.66 -2.00 0.00 0.00 174.74 174.23 3bag n TYR 125 N -0.04 0.91 0.00 0.38 4.01 -1.26 -2.74 117.16 118.42 3bag n TYR 125 Ca -0.05 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 3bag n TYR 125 Cb 0.60 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 3bag n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bag n GLY 126 N 1.26 2.47 3.86 2.72 0.00 -1.26 -5.08 105.19 109.16 3bag n GLY 126 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3bag n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bag s GLN 127 N -0.90 3.62 0.14 1.61 -0.21 -1.11 -4.98 119.66 117.83 3bag s GLN 127 Ca 0.00 0.83 0.16 0.00 0.02 0.00 0.00 55.36 56.37 3bag s GLN 127 Cb 0.00 -2.08 -0.07 0.00 1.00 0.00 0.00 33.01 31.86 3bag s GLN 127 CO 0.00 -0.55 1.05 0.87 -2.12 0.00 0.00 175.29 174.55 3bag h LYS 128 N -0.03 0.00 -0.37 2.91 1.79 -1.97 -3.34 116.57 115.56 3bag h LYS 128 Ca -0.45 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.13 3bag h LYS 128 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 3bag h LYS 128 CO 0.61 0.37 0.28 0.00 -1.08 0.00 0.00 179.45 179.63 3bag h ALA 129 N 1.45 2.31 -0.01 3.86 0.00 -1.94 -2.28 119.26 122.64 3bag h ALA 129 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bag h ALA 129 Cb 1.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3bag h ALA 129 CO 0.05 -0.47 -0.10 0.44 0.00 0.00 0.00 179.25 179.18 3bag n ILE 130 N -4.34 0.00 -3.20 0.00 -5.35 -1.25 -1.91 119.36 103.30 3bag n ILE 130 Ca 0.06 -0.21 -0.41 0.00 -0.27 0.00 0.00 62.75 61.91 3bag n ILE 130 Cb 0.46 0.50 -0.07 0.00 -1.74 0.00 0.00 39.64 38.78 3bag n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bag s LEU 131 N -2.18 4.33 0.18 7.28 1.43 -0.86 -4.39 118.68 124.47 3bag s LEU 131 Ca 0.33 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3bag s LEU 131 Cb 0.20 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3bag s LEU 131 CO 0.40 -0.52 -0.10 -0.36 0.23 0.00 0.00 176.35 176.00 3bag s PHE 132 N 2.49 2.61 -0.09 0.29 0.40 -0.26 -2.19 117.98 121.23 3bag s PHE 132 Ca 0.20 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 3bag s PHE 132 Cb -0.15 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.12 3bag s PHE 132 CO 0.14 0.52 -0.12 -0.51 0.70 0.00 0.00 175.22 175.94 3bag s LEU 133 N -2.84 1.56 -0.07 -0.37 1.43 0.10 -0.27 118.68 118.21 3bag s LEU 133 Ca 0.25 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3bag s LEU 133 Cb -0.09 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3bag s LEU 133 CO 0.15 -0.01 1.15 -2.16 0.23 0.00 0.00 176.35 175.71 3bag s PRO 134 N 1.01 4.37 0.21 1.29 0.04 -1.26 -1.23 135.00 139.42 3bag s PRO 134 Ca -0.08 1.60 0.11 0.00 0.04 0.00 0.00 61.00 62.67 3bag s PRO 134 Cb -0.15 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 3bag s PRO 134 CO -0.01 -0.42 -0.21 -0.51 0.04 0.00 0.00 177.00 175.89 3bag s LEU 135 N 2.20 2.47 0.58 -3.56 1.43 0.92 -4.92 118.68 117.81 3bag s LEU 135 Ca 0.54 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 3bag s LEU 135 Cb -0.23 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 3bag s LEU 135 CO 0.21 0.06 1.16 -2.16 0.23 0.00 0.00 176.35 175.84 3bag s PRO 136 N -2.93 3.11 0.00 1.29 0.04 -1.26 -0.17 135.00 135.08 3bag s PRO 136 Ca 0.22 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.15 3bag s PRO 136 Cb -0.06 -1.96 1.28 0.00 0.04 0.00 0.00 34.50 33.79 3bag s PRO 136 CO 0.10 -1.06 1.66 1.33 0.04 0.00 0.00 177.00 179.07