#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfg n LEU 2 N 0.00 6.35 0.00 0.00 4.32 -1.26 -4.58 117.00 121.83 1tfg n LEU 2 Ca 0.00 -4.50 0.00 0.00 -0.02 0.00 0.00 56.01 51.49 1tfg n LEU 2 Cb 0.00 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 1tfg n LEU 2 CO 0.00 1.16 0.00 -0.90 -1.22 0.00 0.00 177.39 176.43 1tfg n ASP 3 N 4.75 1.90 -0.27 -1.43 5.68 -1.26 -2.10 116.55 123.82 1tfg n ASP 3 Ca 0.42 -0.96 -0.01 0.00 -0.50 0.00 0.00 54.79 53.73 1tfg n ASP 3 Cb 0.38 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.47 1tfg n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tfg h ALA 4 N 1.00 1.01 -0.53 2.12 0.00 -1.91 0.23 119.26 121.19 1tfg h ALA 4 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tfg h ALA 4 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1tfg h ALA 4 CO 0.00 0.20 0.33 0.00 0.00 0.00 0.00 179.25 179.78 1tfg h ALA 5 N 1.35 0.67 0.23 0.00 0.00 -1.96 -1.34 119.26 118.22 1tfg h ALA 5 Ca 0.32 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.84 1tfg h ALA 5 Cb 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.72 1tfg h ALA 5 CO -0.15 0.14 -1.53 -0.92 0.00 0.00 0.00 179.25 176.79 1tfg h TYR 6 N 0.71 0.89 0.02 0.00 3.20 -1.75 -3.42 116.97 116.63 1tfg h TYR 6 Ca 0.19 -0.65 -0.28 0.00 3.14 0.00 0.00 58.73 61.12 1tfg h TYR 6 Cb -0.04 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1tfg h TYR 6 CO -0.03 1.59 -1.59 0.00 -1.64 0.00 0.00 178.16 176.49 1tfg h PHE 8 N 0.01 0.92 -0.96 0.00 -1.00 -1.42 -3.36 116.94 111.13 1tfg h PHE 8 Ca -0.24 -0.50 0.19 0.00 2.81 0.00 0.00 57.97 60.23 1tfg h PHE 8 Cb 1.97 -0.11 -0.11 0.00 3.61 0.00 0.00 35.95 41.32 1tfg h PHE 8 CO 0.01 1.33 0.55 0.00 -1.61 0.00 0.00 178.31 178.59 1tfg h ARG 9 N 0.36 0.65 -1.79 1.51 3.08 -1.81 -3.40 114.38 112.98 1tfg h ARG 9 Ca -0.11 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1tfg h ARG 9 Cb 1.65 -0.15 -0.21 0.00 0.08 0.00 0.00 29.97 31.34 1tfg h ARG 9 CO 0.19 0.43 -0.18 1.21 -1.07 0.00 0.00 179.97 180.55 1tfg s ASN 10 N -5.36 -1.14 0.22 7.04 2.47 -1.26 -5.14 114.94 111.79 1tfg s ASN 10 Ca -0.11 1.36 -0.32 0.00 0.42 0.00 0.00 52.86 54.21 1tfg s ASN 10 Cb 0.25 2.21 -0.13 0.00 -1.45 0.00 0.00 41.25 42.13 1tfg s ASN 10 CO 0.79 -0.23 1.56 0.52 -3.72 0.00 0.00 177.10 176.02 1tfg n VAL 11 N 5.44 0.51 -4.43 -5.21 0.31 -1.26 -4.90 118.33 108.78 1tfg n VAL 11 Ca -0.09 -0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1tfg n VAL 11 Cb 0.50 -1.70 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 1tfg n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tfg s GLN 12 N 0.26 1.59 0.28 5.55 -2.07 -1.26 -5.07 119.66 118.94 1tfg s GLN 12 Ca 0.72 -1.86 0.15 0.00 -1.82 0.00 0.00 55.36 52.55 1tfg s GLN 12 Cb -0.60 -0.86 0.07 0.00 -1.09 0.00 0.00 33.01 30.53 1tfg s GLN 12 CO 0.43 -0.15 1.44 -0.44 -1.32 0.00 0.00 175.29 175.25 1tfg h ASP 13 N 2.19 0.00 -4.36 12.60 3.32 -1.96 -3.47 116.42 124.73 1tfg h ASP 13 Ca -0.40 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.16 1tfg h ASP 13 Cb 1.24 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.89 1tfg h ASP 13 CO 0.69 0.48 0.37 0.20 -1.72 0.00 0.00 179.24 179.26 1tfg s ASN 14 N -6.43 4.95 0.05 6.45 0.01 -1.26 -0.64 114.94 118.07 1tfg s ASN 14 Ca 0.04 1.27 -0.37 0.00 -0.71 0.00 0.00 52.86 53.09 1tfg s ASN 14 Cb 0.07 -2.05 -0.16 0.00 0.41 0.00 0.00 41.25 39.52 1tfg s ASN 14 CO 0.74 -1.67 1.41 0.00 -1.51 0.00 0.00 177.10 176.07 1tfg s LEU 17 N -2.62 4.41 -0.03 0.00 0.20 -1.26 -2.54 118.68 116.85 1tfg s LEU 17 Ca 0.04 2.45 0.06 0.00 0.69 0.00 0.00 54.13 57.36 1tfg s LEU 17 Cb -0.01 -3.74 -0.01 0.00 -0.43 0.00 0.00 46.19 42.00 1tfg s LEU 17 CO -0.10 -0.43 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.21 1tfg s ARG 18 N -1.80 1.70 0.34 1.98 1.81 0.49 -4.59 118.95 118.87 1tfg s ARG 18 Ca 0.49 -0.68 -0.27 0.00 -1.72 0.00 0.00 55.73 53.55 1tfg s ARG 18 Cb -0.35 -1.57 -0.09 0.00 -0.45 0.00 0.00 34.95 32.49 1tfg s ARG 18 CO 0.45 0.37 1.10 -1.25 -0.68 0.00 0.00 175.30 175.28 1tfg s PRO 19 N -0.29 4.39 -0.30 3.54 0.04 -1.26 -1.64 135.00 139.47 1tfg s PRO 19 Ca 0.04 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1tfg s PRO 19 Cb -0.09 -2.90 0.17 0.00 0.04 0.00 0.00 34.50 31.72 1tfg s PRO 19 CO 0.00 0.01 0.63 -1.17 0.04 0.00 0.00 177.00 176.51 1tfg s LEU 20 N -2.00 -1.28 -0.25 -3.56 0.20 -1.26 -4.82 118.68 105.70 1tfg s LEU 20 Ca 0.51 1.11 -0.10 0.00 0.69 0.00 0.00 54.13 56.34 1tfg s LEU 20 Cb -0.29 2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 47.63 1tfg s LEU 20 CO 0.36 -0.24 0.14 -0.47 -0.29 0.00 0.00 176.35 175.85 1tfg s TYR 21 N 2.87 3.22 -0.19 5.38 5.04 -1.26 -0.99 117.35 131.42 1tfg s TYR 21 Ca 0.11 0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.71 1tfg s TYR 21 Cb -0.14 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 1tfg s TYR 21 CO -0.20 -0.11 0.03 0.42 -1.34 0.00 0.00 175.55 174.34 1tfg s ILE 22 N 1.41 4.33 -0.31 3.14 1.01 0.20 -4.94 121.20 126.03 1tfg s ILE 22 Ca 0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1tfg s ILE 22 Cb -0.15 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1tfg s ILE 22 CO 0.07 0.44 0.41 -0.62 0.00 0.00 0.00 174.94 175.24 1tfg s ASP 23 N 0.67 6.26 0.11 3.58 -1.08 -1.26 -1.55 116.67 123.40 1tfg s ASP 23 Ca 0.01 0.06 -0.34 0.00 -0.52 0.00 0.00 52.55 51.76 1tfg s ASP 23 Cb -0.14 -2.22 -0.13 0.00 -1.46 0.00 0.00 42.92 38.97 1tfg s ASP 23 CO 0.02 -0.32 1.54 -0.26 0.52 0.00 0.00 175.17 176.68 1tfg h PHE 24 N 8.33 -1.57 -0.17 -5.34 0.04 -1.70 -0.18 116.94 116.35 1tfg h PHE 24 Ca -0.30 0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 1tfg h PHE 24 Cb 1.15 0.69 -0.01 0.00 2.20 0.00 0.00 35.95 39.98 1tfg h PHE 24 CO 0.73 -0.55 -0.58 1.57 -0.60 0.00 0.00 178.31 178.87 1tfg h LYS 25 N -0.63 0.55 -0.23 1.51 2.10 -1.77 -1.64 116.57 116.46 1tfg h LYS 25 Ca 0.02 -0.36 -0.12 0.00 -2.00 0.00 0.00 60.65 58.18 1tfg h LYS 25 Cb 0.69 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1tfg h LYS 25 CO -0.39 0.98 -0.34 -0.09 -2.00 0.00 0.00 179.45 177.61 1tfg h ARG 26 N 0.41 0.64 0.01 0.07 2.43 -1.88 -2.91 114.38 113.16 1tfg h ARG 26 Ca 0.00 -0.38 -0.33 0.00 -0.81 0.00 0.00 59.98 58.46 1tfg h ARG 26 Cb 1.13 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1tfg h ARG 26 CO 0.11 0.99 -2.00 -0.25 -1.51 0.00 0.00 179.97 177.31 1tfg n ASP 27 N -4.27 0.69 -0.05 -3.80 8.00 -0.09 -4.61 116.55 112.42 1tfg n ASP 27 Ca -0.05 0.23 0.02 0.00 0.71 0.00 0.00 54.79 55.70 1tfg n ASP 27 Cb 0.50 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.84 1tfg n ASP 27 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1tfg n LEU 28 N -2.98 0.54 0.00 0.64 4.77 -0.65 -5.00 117.00 114.32 1tfg n LEU 28 Ca -0.25 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1tfg n LEU 28 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1tfg n LEU 28 CO 0.43 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1tfg n GLY 29 N 0.88 0.85 3.56 -0.72 0.00 -1.00 -4.97 105.19 103.80 1tfg n GLY 29 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1tfg n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tfg s TRP 30 N -3.56 2.09 -1.46 1.61 0.51 -1.12 -4.82 118.94 112.20 1tfg s TRP 30 Ca 0.00 0.32 0.25 0.00 -2.12 0.00 0.00 56.10 54.55 1tfg s TRP 30 Cb 0.00 -4.41 0.48 0.00 -0.81 0.00 0.00 33.47 28.73 1tfg s TRP 30 CO 0.00 -2.13 1.39 1.63 -0.51 0.00 0.00 176.95 177.33 1tfg n LYS 31 N 9.16 0.51 0.19 4.98 5.02 -1.26 -3.08 118.16 133.67 1tfg n LYS 31 Ca 0.10 -0.34 0.14 0.00 -2.02 0.00 0.00 58.31 56.20 1tfg n LYS 31 Cb 0.50 -1.49 0.51 0.00 -0.02 0.00 0.00 35.03 34.52 1tfg n LYS 31 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1tfg h TRP 32 N 0.82 0.00 -3.41 2.13 5.08 -1.98 -3.43 115.95 115.15 1tfg h TRP 32 Ca 0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 1tfg h TRP 32 Cb 0.53 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.59 1tfg h TRP 32 CO 0.00 0.00 0.20 0.42 -1.28 0.00 0.00 178.44 177.78 1tfg s ILE 33 N -3.39 4.98 -0.04 0.12 1.01 -1.26 -3.96 121.20 118.66 1tfg s ILE 33 Ca 0.05 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.87 1tfg s ILE 33 Cb 0.09 -3.98 -0.29 0.00 0.01 0.00 0.00 42.46 38.30 1tfg s ILE 33 CO 0.51 0.05 0.68 -0.74 0.00 0.00 0.00 174.94 175.44 1tfg h HIS 34 N 7.64 0.56 -2.49 3.97 -0.00 -1.23 -3.47 115.15 120.14 1tfg h HIS 34 Ca -0.29 -0.41 -0.08 0.00 -0.00 0.00 0.00 60.37 59.59 1tfg h HIS 34 Cb 1.13 -0.02 -0.25 0.00 -0.00 0.00 0.00 27.41 28.27 1tfg h HIS 34 CO 0.73 1.57 -0.20 -2.00 -0.00 0.00 0.00 177.93 178.04 1tfg s GLU 35 N -2.59 0.50 0.78 5.26 2.56 -1.09 -4.56 118.70 119.57 1tfg s GLU 35 Ca -0.14 0.86 -0.09 0.00 0.00 0.00 0.00 54.97 55.60 1tfg s GLU 35 Cb 0.06 0.07 0.10 0.00 2.00 0.00 0.00 34.13 36.36 1tfg s GLU 35 CO 0.84 -0.14 1.11 -1.25 -0.56 0.00 0.00 175.26 175.26 1tfg s PRO 36 N 1.22 1.79 0.30 4.30 0.04 -1.26 -0.86 135.00 140.53 1tfg s PRO 36 Ca -0.08 -0.27 0.15 0.00 0.04 0.00 0.00 61.00 60.84 1tfg s PRO 36 Cb -0.07 -2.07 0.39 0.00 0.04 0.00 0.00 34.50 32.80 1tfg s PRO 36 CO -0.12 -1.58 1.60 0.87 0.04 0.00 0.00 177.00 177.82 1tfg h LYS 37 N -0.91 0.00 -2.65 4.56 6.56 -1.90 -3.47 116.57 118.75 1tfg h LYS 37 Ca -0.44 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.27 1tfg h LYS 37 Cb 1.30 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.94 1tfg h LYS 37 CO 0.56 0.53 0.53 0.20 -2.06 0.00 0.00 179.45 179.21 1tfg s GLY 38 N -4.44 0.20 0.19 3.86 0.00 -1.26 -1.94 107.32 103.93 1tfg s GLY 38 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 1tfg s GLY 38 CO 0.73 2.10 0.73 -2.52 0.00 0.00 0.00 173.10 174.15 1tfg s TYR 39 N -2.10 -0.31 -0.85 1.90 1.13 -0.60 -4.98 117.35 111.54 1tfg s TYR 39 Ca 0.21 -0.01 -0.19 0.00 -1.41 0.00 0.00 57.07 55.67 1tfg s TYR 39 Cb -0.03 0.63 0.12 0.00 -1.10 0.00 0.00 41.96 41.58 1tfg s TYR 39 CO 0.07 -0.98 1.06 -0.80 -2.51 0.00 0.00 175.55 172.39 1tfg s ASN 40 N -2.82 6.51 -0.02 -0.18 0.01 -1.26 -0.63 114.94 116.55 1tfg s ASN 40 Ca 0.07 -1.81 -0.25 0.00 -0.71 0.00 0.00 52.86 50.16 1tfg s ASN 40 Cb -0.03 -2.39 -0.20 0.00 0.41 0.00 0.00 41.25 39.04 1tfg s ASN 40 CO -0.02 -1.13 1.22 0.00 -1.51 0.00 0.00 177.10 175.66 1tfg h ALA 41 N 8.98 0.05 -2.03 0.60 0.00 -1.34 -3.41 119.26 122.11 1tfg h ALA 41 Ca 0.04 -0.30 0.24 0.00 0.00 0.00 0.00 54.91 54.89 1tfg h ALA 41 Cb 1.04 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1tfg h ALA 41 CO 1.11 -0.12 -0.40 0.09 0.00 0.00 0.00 179.25 179.92 1tfg n ASN 42 N -4.73 -5.34 -3.53 0.00 3.02 -0.50 -1.02 115.26 103.16 1tfg n ASN 42 Ca -0.08 0.45 -0.10 0.00 -0.03 0.00 0.00 54.58 54.82 1tfg n ASN 42 Cb 0.32 -2.77 -0.02 0.00 -0.61 0.00 0.00 39.78 36.69 1tfg n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1tfg s PHE 43 N -2.11 -0.43 -0.06 3.10 -0.71 -0.65 -4.71 117.98 112.41 1tfg s PHE 43 Ca 0.00 0.18 -0.01 0.00 -1.04 0.00 0.00 56.93 56.06 1tfg s PHE 43 Cb 0.00 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1tfg s PHE 43 CO 0.00 -0.87 0.02 0.00 -1.34 0.00 0.00 175.22 173.03 1tfg s ALA 45 N -0.97 -1.92 0.00 0.00 0.00 -1.05 -4.77 121.76 113.04 1tfg s ALA 45 Ca 0.16 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1tfg s ALA 45 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1tfg s ALA 45 CO 0.05 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1tfg n GLY 46 N 1.08 3.74 3.76 0.00 0.00 -1.26 -1.95 105.19 110.55 1tfg n GLY 46 Ca -0.12 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1tfg n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tfg s ALA 47 N -2.15 2.32 -0.63 4.61 0.00 0.19 -3.72 121.76 122.37 1tfg s ALA 47 Ca 0.00 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1tfg s ALA 47 Cb 0.00 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.93 1tfg s ALA 47 CO 0.00 -1.54 0.43 0.00 0.00 0.00 0.00 175.76 174.65 1tfg s PRO 49 N -1.01 0.14 -0.03 0.00 0.02 -1.26 -4.71 135.00 128.14 1tfg s PRO 49 Ca 0.24 0.36 -0.34 0.00 0.02 0.00 0.00 61.00 61.29 1tfg s PRO 49 Cb -0.07 -1.72 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 1tfg s PRO 49 CO -0.14 -2.89 1.81 0.98 -0.33 0.00 0.00 177.00 176.43 1tfg n TYR 50 N -4.26 2.31 -1.11 6.54 9.36 -1.26 -1.60 117.16 127.13 1tfg n TYR 50 Ca 0.07 0.07 -0.04 0.00 3.32 0.00 0.00 57.90 61.31 1tfg n TYR 50 Cb 0.58 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 36.64 1tfg n TYR 50 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1tfg n LEU 51 N 5.87 0.18 -4.56 2.98 4.77 -1.26 -4.96 117.00 120.02 1tfg n LEU 51 Ca 0.21 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.87 1tfg n LEU 51 Cb 0.29 -1.82 -0.03 0.00 -2.33 0.00 0.00 43.42 39.53 1tfg n LEU 51 CO 0.71 -0.64 1.21 0.86 -1.33 0.00 0.00 177.39 178.19 1tfg s TRP 52 N -1.69 2.29 -1.50 -1.77 -0.11 -0.63 -4.08 118.94 111.45 1tfg s TRP 52 Ca 0.00 0.22 -0.08 0.00 1.22 0.00 0.00 56.10 57.46 1tfg s TRP 52 Cb 0.00 -4.51 0.06 0.00 -1.50 0.00 0.00 33.47 27.52 1tfg s TRP 52 CO 0.00 -1.98 0.68 0.43 -4.62 0.00 0.00 176.95 171.45 1tfg n SER 53 N 9.54 -2.20 -4.70 5.86 7.64 -1.26 -4.30 113.62 124.20 1tfg n SER 53 Ca 0.07 -0.94 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 1tfg n SER 53 Cb 0.49 -3.27 -0.03 0.00 -1.01 0.00 0.00 64.21 60.39 1tfg n SER 53 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1tfg s SER 54 N -3.85 6.64 -0.08 6.43 0.01 -1.26 -1.51 113.70 120.09 1tfg s SER 54 Ca 0.35 2.48 -0.17 0.00 1.31 0.00 0.00 55.95 59.92 1tfg s SER 54 Cb -0.18 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.34 1tfg s SER 54 CO 0.88 -0.82 0.60 -0.78 0.41 0.00 0.00 173.24 173.52 1tfg h ASP 55 N 7.59 -0.12 -3.69 2.44 3.58 -1.61 -3.48 116.42 121.13 1tfg h ASP 55 Ca -0.42 -0.36 -0.49 0.00 0.42 0.00 0.00 57.03 56.18 1tfg h ASP 55 Cb 1.20 0.03 -0.14 0.00 1.72 0.00 0.00 39.33 42.15 1tfg h ASP 55 CO 0.91 0.50 -0.55 0.42 -2.88 0.00 0.00 179.24 177.64 1tfg s THR 56 N -2.67 0.64 0.40 2.25 -4.23 -1.26 -4.99 115.64 105.78 1tfg s THR 56 Ca -0.10 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1tfg s THR 56 Cb -0.00 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.64 1tfg s THR 56 CO 0.37 0.00 1.98 1.56 -0.54 0.00 0.00 174.62 177.99 1tfg h GLN 57 N 2.01 0.55 -0.57 3.99 1.08 -2.00 -0.08 115.11 120.09 1tfg h GLN 57 Ca -0.36 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1tfg h GLN 57 Cb 1.26 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 1tfg h GLN 57 CO 0.58 0.36 0.36 1.25 -0.95 0.00 0.00 178.83 180.43 1tfg h HIS 58 N 0.56 0.73 -0.90 2.96 2.76 -1.99 -0.94 115.15 118.33 1tfg h HIS 58 Ca 0.28 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1tfg h HIS 58 Cb 0.36 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 1tfg h HIS 58 CO -0.00 0.48 0.51 0.77 -1.30 0.00 0.00 177.93 178.39 1tfg h SER 59 N 0.77 1.11 0.60 3.26 0.02 -1.39 -0.45 113.55 117.48 1tfg h SER 59 Ca 0.21 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1tfg h SER 59 Cb -0.05 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.21 1tfg h SER 59 CO -0.04 0.88 -0.29 0.03 -1.14 0.00 0.00 176.83 176.28 1tfg h ARG 60 N 1.26 -0.77 -0.29 3.45 3.08 -0.83 -0.45 114.38 119.83 1tfg h ARG 60 Ca 0.32 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1tfg h ARG 60 Cb 0.00 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1tfg h ARG 60 CO -0.05 -0.50 0.18 0.28 -1.07 0.00 0.00 179.97 178.81 1tfg h VAL 61 N -0.84 1.06 -0.20 2.04 2.07 -1.09 -2.66 116.25 116.64 1tfg h VAL 61 Ca -0.08 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1tfg h VAL 61 Cb 0.63 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1tfg h VAL 61 CO 0.13 0.07 -0.12 -0.07 0.02 0.00 0.00 177.57 177.60 1tfg h LEU 62 N 0.38 0.30 -1.04 2.57 -0.00 -1.06 -0.24 115.31 116.22 1tfg h LEU 62 Ca 0.11 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.85 1tfg h LEU 62 Cb -0.03 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1tfg h LEU 62 CO -0.03 0.46 -0.10 0.77 -0.00 0.00 0.00 178.44 179.54 1tfg h SER 63 N 0.30 0.56 0.21 -0.43 4.64 -0.76 0.10 113.55 118.16 1tfg h SER 63 Ca 0.06 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1tfg h SER 63 Cb 0.40 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1tfg h SER 63 CO 0.02 0.69 -0.10 0.25 -0.87 0.00 0.00 176.83 176.83 1tfg h LEU 64 N 0.53 -0.24 -0.68 5.97 6.46 -1.08 -2.96 115.31 123.32 1tfg h LEU 64 Ca 0.10 -0.27 0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1tfg h LEU 64 Cb 0.49 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.39 1tfg h LEU 64 CO 0.03 0.18 0.21 0.22 -0.62 0.00 0.00 178.44 178.46 1tfg h TYR 65 N -0.70 0.35 0.00 1.25 3.20 -0.83 -0.96 116.97 119.28 1tfg h TYR 65 Ca -0.03 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1tfg h TYR 65 Cb 0.49 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1tfg h TYR 65 CO 0.05 0.01 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.48 1tfg h ASN 66 N 0.35 0.00 -0.20 -2.11 -1.24 -0.82 0.30 115.58 111.85 1tfg h ASN 66 Ca 0.36 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.23 1tfg h ASN 66 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1tfg h ASN 66 CO -0.40 0.13 -0.42 0.74 -1.29 0.00 0.00 177.43 176.18 1tfg h THR 67 N 0.00 1.32 0.10 -3.57 2.02 -1.01 -1.98 112.91 109.79 1tfg h THR 67 Ca -0.00 -1.65 -0.26 0.00 0.77 0.00 0.00 66.41 65.27 1tfg h THR 67 Cb 0.27 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1tfg h THR 67 CO 0.02 0.52 -1.16 0.40 0.37 0.00 0.00 175.52 175.66 1tfg h ILE 68 N 0.34 1.50 -2.11 3.11 2.04 -1.12 -3.40 117.51 117.87 1tfg h ILE 68 Ca 0.00 -2.96 -0.56 0.00 1.00 0.00 0.00 64.86 62.34 1tfg h ILE 68 Cb 1.03 2.84 -0.41 0.00 -0.74 0.00 0.00 36.82 39.54 1tfg h ILE 68 CO 0.09 0.87 -0.88 0.59 0.00 0.00 0.00 178.15 178.82 1tfg n ASN 69 N -3.56 2.15 0.20 1.72 3.02 0.10 -4.96 115.26 113.93 1tfg n ASN 69 Ca -0.07 -3.15 0.15 0.00 -0.03 0.00 0.00 54.58 51.48 1tfg n ASN 69 Cb 0.98 -0.63 0.78 0.00 -0.61 0.00 0.00 39.78 40.30 1tfg n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1tfg h PRO 70 N 3.73 0.00 0.00 3.52 0.13 -1.57 -2.76 132.00 135.05 1tfg h PRO 70 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1tfg h PRO 70 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1tfg h PRO 70 CO 0.65 0.00 -0.05 1.05 -0.23 0.00 0.00 178.00 179.42 1tfg h GLU 71 N 0.00 0.00 0.00 0.86 9.09 -1.93 -2.96 114.58 119.64 1tfg h GLU 71 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1tfg h GLU 71 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1tfg h GLU 71 CO -0.00 0.05 0.00 0.00 0.05 0.00 0.00 179.01 179.11 1tfg h ALA 72 N 1.95 1.00 -3.85 1.06 0.00 -1.88 -3.47 119.26 114.07 1tfg h ALA 72 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1tfg h ALA 72 Cb 0.33 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.16 1tfg h ALA 72 CO 0.01 0.00 -0.55 0.43 0.00 0.00 0.00 179.25 179.14 1tfg n SER 73 N -2.77 -5.74 -1.74 0.00 7.64 -1.12 -4.93 113.62 104.96 1tfg n SER 73 Ca 0.01 -0.21 0.06 0.00 1.01 0.00 0.00 58.87 59.74 1tfg n SER 73 Cb 0.29 -4.61 0.37 0.00 -1.01 0.00 0.00 64.21 59.25 1tfg n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tfg n ALA 74 N -3.11 3.83 -1.75 -0.43 0.00 -1.26 -5.03 120.51 112.76 1tfg n ALA 74 Ca -0.13 -2.05 -0.36 0.00 0.00 0.00 0.00 53.44 50.90 1tfg n ALA 74 Cb 0.63 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.05 1tfg n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tfg s SER 75 N -1.02 5.01 0.87 0.00 0.15 -1.26 -4.84 113.70 112.62 1tfg s SER 75 Ca 0.53 2.47 -0.11 0.00 0.70 0.00 0.00 55.95 59.54 1tfg s SER 75 Cb 0.41 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 62.23 1tfg s SER 75 CO 0.14 -1.72 1.10 -2.84 1.20 0.00 0.00 173.24 171.13 1tfg s PRO 76 N -3.34 1.42 0.08 5.44 0.02 -1.26 -5.02 135.00 132.35 1tfg s PRO 76 Ca 0.79 1.15 0.08 0.00 0.02 0.00 0.00 61.00 63.04 1tfg s PRO 76 Cb -0.33 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1tfg s PRO 76 CO 0.35 -2.22 -0.19 0.00 -0.33 0.00 0.00 177.00 174.61 1tfg s VAL 79 N 4.69 0.57 0.51 0.00 -7.23 0.09 -4.35 120.40 114.68 1tfg s VAL 79 Ca 0.53 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 1tfg s VAL 79 Cb -0.11 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 1tfg s VAL 79 CO 0.29 -0.02 1.34 -1.20 -0.31 0.00 0.00 175.10 175.20 1tfg n SER 80 N -0.46 2.70 0.00 4.85 7.64 -1.26 -1.06 113.62 126.03 1tfg n SER 80 Ca -0.00 1.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.89 1tfg n SER 80 Cb 0.66 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1tfg n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1tfg n GLN 81 N -0.71 0.00 -3.92 1.43 7.27 0.26 -4.67 117.38 117.05 1tfg n GLN 81 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.81 1tfg n GLN 81 Cb 0.43 -0.09 -0.08 0.00 2.41 0.00 0.00 30.24 32.92 1tfg n GLN 81 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1tfg s ASP 82 N -5.01 6.01 0.17 1.69 1.01 -1.20 -4.96 116.67 114.37 1tfg s ASP 82 Ca -0.00 0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.56 1tfg s ASP 82 Cb 0.00 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 1tfg s ASP 82 CO 0.00 0.27 -0.07 -0.76 0.21 0.00 0.00 175.17 174.82 1tfg s LEU 83 N -0.20 2.43 0.12 1.23 1.43 -1.26 0.01 118.68 122.45 1tfg s LEU 83 Ca 0.09 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.18 1tfg s LEU 83 Cb -0.12 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1tfg s LEU 83 CO 0.01 -0.38 -0.14 -1.61 0.23 0.00 0.00 176.35 174.46 1tfg s GLU 84 N -3.78 1.03 0.88 1.70 2.02 0.46 -4.83 118.70 116.17 1tfg s GLU 84 Ca 0.20 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1tfg s GLU 84 Cb 0.03 -0.91 0.15 0.00 0.10 0.00 0.00 34.13 33.50 1tfg s GLU 84 CO 0.03 0.17 1.24 -1.25 0.02 0.00 0.00 175.26 175.47 1tfg s PRO 85 N -2.67 1.25 -0.09 0.39 0.04 -1.26 -0.25 135.00 132.42 1tfg s PRO 85 Ca 0.09 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 60.82 1tfg s PRO 85 Cb -0.05 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1tfg s PRO 85 CO 0.03 -2.01 0.21 -1.17 0.04 0.00 0.00 177.00 174.10 1tfg s LEU 86 N -5.70 0.74 -0.14 -3.56 2.96 -0.02 -4.72 118.68 108.24 1tfg s LEU 86 Ca 0.69 0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 54.96 1tfg s LEU 86 Cb -0.07 0.64 -0.04 0.00 0.50 0.00 0.00 46.19 47.22 1tfg s LEU 86 CO 0.51 -0.13 0.13 -0.89 -1.32 0.00 0.00 176.35 174.64 1tfg s THR 87 N 0.87 5.41 0.19 3.68 2.01 -1.26 -0.75 115.64 125.78 1tfg s THR 87 Ca -0.06 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1tfg s THR 87 Cb -0.08 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1tfg s THR 87 CO -0.05 0.57 -0.14 0.27 -0.69 0.00 0.00 174.62 174.59 1tfg s ILE 88 N -0.66 1.61 -0.11 1.82 -4.36 -0.23 -4.44 121.20 114.82 1tfg s ILE 88 Ca 0.13 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1tfg s ILE 88 Cb -0.12 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.63 1tfg s ILE 88 CO 0.02 -0.61 -0.12 -0.22 0.24 0.00 0.00 174.94 174.25 1tfg s LEU 89 N -3.24 1.50 0.05 0.37 2.96 -0.04 -1.26 118.68 119.03 1tfg s LEU 89 Ca 0.21 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1tfg s LEU 89 Cb -0.00 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 1tfg s LEU 89 CO 0.05 -0.04 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.26 1tfg s TYR 90 N 1.27 0.61 -0.13 5.38 1.13 -0.30 -0.76 117.35 124.56 1tfg s TYR 90 Ca -0.02 -0.71 -0.01 0.00 -1.41 0.00 0.00 57.07 54.92 1tfg s TYR 90 Cb -0.14 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 1tfg s TYR 90 CO -0.05 -0.17 -0.08 0.71 -2.51 0.00 0.00 175.55 173.45 1tfg s TYR 91 N -2.40 2.92 -0.84 -3.49 1.51 -1.25 -0.25 117.35 113.55 1tfg s TYR 91 Ca -0.03 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 1tfg s TYR 91 Cb -0.03 -1.87 0.22 0.00 -0.11 0.00 0.00 41.96 40.17 1tfg s TYR 91 CO -0.03 -0.05 0.77 0.42 -1.11 0.00 0.00 175.55 175.55 1tfg s ILE 92 N 0.15 5.42 0.00 2.71 -1.09 -0.54 -4.87 121.20 122.98 1tfg s ILE 92 Ca -0.04 -2.65 0.00 0.00 -2.23 0.00 0.00 60.65 55.73 1tfg s ILE 92 Cb -0.14 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1tfg s ILE 92 CO 0.04 -1.03 0.00 0.61 -1.23 0.00 0.00 174.94 173.33 1tfg n GLY 93 N 3.75 1.16 0.92 6.18 0.00 -1.26 -1.06 105.19 114.87 1tfg n GLY 93 Ca 0.14 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.55 1tfg n GLY 93 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tfg n LYS 94 N 0.00 0.92 -4.05 1.61 0.00 -1.26 -5.01 118.16 110.37 1tfg n LYS 94 Ca 0.00 -2.71 -0.33 0.00 -0.00 0.00 0.00 58.31 55.27 1tfg n LYS 94 Cb 0.00 -0.96 -0.15 0.00 -0.00 0.00 0.00 35.03 33.91 1tfg n LYS 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1tfg s THR 95 N -1.89 2.34 0.03 0.58 2.01 -0.23 -5.10 115.64 113.39 1tfg s THR 95 Ca 0.35 -1.23 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1tfg s THR 95 Cb 0.36 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1tfg s THR 95 CO -0.10 0.22 1.37 -2.16 -0.69 0.00 0.00 174.62 173.26 1tfg s PRO 96 N 1.23 4.31 -0.17 4.92 0.04 -1.26 -1.47 135.00 142.60 1tfg s PRO 96 Ca -0.02 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1tfg s PRO 96 Cb -0.17 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1tfg s PRO 96 CO -0.07 -0.50 -0.20 0.15 0.04 0.00 0.00 177.00 176.42 1tfg s LYS 97 N 1.92 2.92 -0.17 4.56 -0.14 0.66 -4.97 119.74 124.52 1tfg s LYS 97 Ca 0.63 -0.81 -0.07 0.00 -1.36 0.00 0.00 55.97 54.36 1tfg s LYS 97 Cb -0.32 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1tfg s LYS 97 CO 0.28 -0.16 0.08 0.42 -0.76 0.00 0.00 175.35 175.20 1tfg s ILE 98 N 1.17 4.93 -0.05 2.17 -1.09 -1.26 -1.15 121.20 125.92 1tfg s ILE 98 Ca 0.02 0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1tfg s ILE 98 Cb -0.14 -3.21 0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1tfg s ILE 98 CO -0.10 0.48 0.11 -0.70 -1.23 0.00 0.00 174.94 173.51 1tfg s GLU 99 N 0.14 0.04 -0.50 2.79 2.12 -0.39 -4.97 118.70 117.92 1tfg s GLU 99 Ca 0.06 0.36 -0.19 0.00 0.36 0.00 0.00 54.97 55.56 1tfg s GLU 99 Cb -0.12 -0.24 0.06 0.00 0.26 0.00 0.00 34.13 34.09 1tfg s GLU 99 CO 0.00 -0.20 0.59 -1.14 -0.54 0.00 0.00 175.26 173.97 1tfg s GLN 100 N 1.40 3.11 -0.17 4.30 0.74 -1.26 -1.07 119.66 126.70 1tfg s GLN 100 Ca -0.06 -0.93 -0.24 0.00 0.05 0.00 0.00 55.36 54.18 1tfg s GLN 100 Cb -0.12 -4.09 -0.02 0.00 1.10 0.00 0.00 33.01 29.88 1tfg s GLN 100 CO -0.05 -1.17 0.76 -0.51 -0.55 0.00 0.00 175.29 173.77 1tfg s LEU 101 N 2.49 4.17 0.63 3.68 1.43 0.07 -4.91 118.68 126.24 1tfg s LEU 101 Ca 0.14 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1tfg s LEU 101 Cb -0.20 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1tfg s LEU 101 CO 0.12 -0.35 1.03 -0.94 0.23 0.00 0.00 176.35 176.44 1tfg s SER 102 N 1.15 6.08 -1.30 2.29 1.04 -1.26 -0.84 113.70 120.86 1tfg s SER 102 Ca 0.35 1.47 -0.15 0.00 0.48 0.00 0.00 55.95 58.10 1tfg s SER 102 Cb -0.16 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1tfg s SER 102 CO 0.12 -0.97 0.54 0.59 0.98 0.00 0.00 173.24 174.49 1tfg n ASN 103 N -2.77 -2.58 -0.10 7.02 3.02 -1.24 -4.86 115.26 113.75 1tfg n ASN 103 Ca 0.06 -1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 53.36 1tfg n ASN 103 Cb 0.54 -2.59 -0.15 0.00 -0.61 0.00 0.00 39.78 36.97 1tfg n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1tfg n MET 104 N -4.53 0.68 -4.50 3.52 2.81 0.66 -4.88 117.12 110.88 1tfg n MET 104 Ca -0.20 0.08 -0.33 0.00 -1.81 0.00 0.00 57.70 55.43 1tfg n MET 104 Cb 0.63 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 31.45 1tfg n MET 104 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1tfg s ILE 105 N -2.51 3.25 -0.10 2.02 1.01 -0.35 -4.69 121.20 119.84 1tfg s ILE 105 Ca -0.17 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1tfg s ILE 105 Cb 0.07 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1tfg s ILE 105 CO 0.76 0.50 0.48 0.54 0.00 0.00 0.00 174.94 177.22 1tfg s VAL 106 N 0.62 5.15 -0.03 2.92 0.11 -0.19 -0.40 120.40 128.57 1tfg s VAL 106 Ca -0.06 0.97 0.12 0.00 -2.93 0.00 0.00 61.98 60.08 1tfg s VAL 106 Cb -0.15 -3.82 -0.18 0.00 -1.53 0.00 0.00 36.38 30.70 1tfg s VAL 106 CO 0.03 0.36 0.23 0.29 -3.33 0.00 0.00 175.10 172.67 1tfg n LYS 107 N 3.41 0.70 -3.72 1.54 4.76 0.10 -4.74 118.16 120.21 1tfg n LYS 107 Ca -0.08 -0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.17 1tfg n LYS 107 Cb 0.52 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 32.36 1tfg n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1tfg s SER 108 N -3.59 -0.14 0.43 4.39 1.04 -1.18 -4.31 113.70 110.34 1tfg s SER 108 Ca -0.05 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.97 1tfg s SER 108 Cb 0.07 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1tfg s SER 108 CO 0.50 -0.85 0.03 0.00 0.98 0.00 0.00 173.24 173.90 1tfg s LYS 110 N -3.80 1.31 -0.34 0.00 -2.85 -0.23 -4.50 119.74 109.33 1tfg s LYS 110 Ca 0.24 -0.55 -0.12 0.00 -1.00 0.00 0.00 55.97 54.53 1tfg s LYS 110 Cb 0.06 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1tfg s LYS 110 CO 0.12 -0.58 0.22 0.00 0.10 0.00 0.00 175.35 175.21