#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tgi n LEU 2 N 0.00 5.88 0.00 0.00 4.77 -1.26 -4.62 117.00 121.76 2tgi n LEU 2 Ca 0.00 -4.68 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 2tgi n LEU 2 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 2tgi n LEU 2 CO 0.00 1.13 0.00 -0.90 -1.33 0.00 0.00 177.39 176.29 2tgi n ASP 3 N 4.17 1.63 -0.33 -1.43 5.68 -1.26 -2.17 116.55 122.84 2tgi n ASP 3 Ca 0.35 -0.77 -0.01 0.00 -0.50 0.00 0.00 54.79 53.86 2tgi n ASP 3 Cb 0.39 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.50 2tgi n ASP 3 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2tgi h ALA 4 N 1.00 1.20 -0.54 2.12 0.00 -1.92 -0.19 119.26 120.94 2tgi h ALA 4 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2tgi h ALA 4 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2tgi h ALA 4 CO 0.00 0.42 0.35 0.00 0.00 0.00 0.00 179.25 180.02 2tgi h ALA 5 N 1.38 0.69 0.24 0.00 0.00 -1.93 -0.69 119.26 118.96 2tgi h ALA 5 Ca 0.37 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.92 2tgi h ALA 5 Cb 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 17.66 2tgi h ALA 5 CO -0.13 0.11 -1.41 -0.92 0.00 0.00 0.00 179.25 176.90 2tgi h TYR 6 N 0.71 0.94 0.04 0.00 3.20 -1.79 -3.41 116.97 116.66 2tgi h TYR 6 Ca 0.20 -0.68 -0.35 0.00 3.14 0.00 0.00 58.73 61.04 2tgi h TYR 6 Cb -0.06 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 2tgi h TYR 6 CO -0.04 1.54 -2.07 0.00 -1.64 0.00 0.00 178.16 175.95 2tgi s PHE 8 N -2.55 3.47 -1.81 0.00 0.40 -0.27 -3.64 117.98 113.58 2tgi s PHE 8 Ca -0.17 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 2tgi s PHE 8 Cb 0.07 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.82 2tgi s PHE 8 CO 0.77 -0.39 0.00 2.89 0.70 0.00 0.00 175.22 179.19 2tgi n ARG 9 N -1.66 -1.65 -4.08 0.44 -4.01 -1.26 -4.89 116.66 99.55 2tgi n ARG 9 Ca 0.06 1.02 -0.16 0.00 -1.04 0.00 0.00 57.85 57.73 2tgi n ARG 9 Cb 0.54 -5.56 -0.15 0.00 -3.04 0.00 0.00 32.46 24.25 2tgi n ARG 9 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2tgi s ASN 10 N -2.27 0.55 -0.46 2.89 4.22 -1.24 -5.12 114.94 113.52 2tgi s ASN 10 Ca 0.00 -0.07 -0.04 0.00 -2.14 0.00 0.00 52.86 50.61 2tgi s ASN 10 Cb 0.00 -0.16 0.12 0.00 1.28 0.00 0.00 41.25 42.49 2tgi s ASN 10 CO 0.00 -0.00 0.27 -0.69 -2.04 0.00 0.00 177.10 174.63 2tgi s VAL 11 N 0.34 3.50 0.18 3.54 1.01 -1.26 -4.96 120.40 122.75 2tgi s VAL 11 Ca -0.03 -2.17 0.11 0.00 0.00 0.00 0.00 61.98 59.89 2tgi s VAL 11 Cb -0.07 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2tgi s VAL 11 CO -0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 175.10 174.12 2tgi s GLN 12 N 0.97 1.47 0.26 2.72 -2.07 -1.26 -5.03 119.66 116.72 2tgi s GLN 12 Ca 0.09 -1.49 0.19 0.00 -1.82 0.00 0.00 55.36 52.34 2tgi s GLN 12 Cb -0.23 -1.79 0.08 0.00 -1.09 0.00 0.00 33.01 29.98 2tgi s GLN 12 CO -0.04 0.39 1.25 -0.44 -1.32 0.00 0.00 175.29 175.14 2tgi h ASP 13 N 3.29 0.00 -4.44 12.60 3.32 -1.96 -3.47 116.42 125.76 2tgi h ASP 13 Ca -0.46 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.09 2tgi h ASP 13 Cb 1.20 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.83 2tgi h ASP 13 CO 0.47 0.25 0.42 0.20 -1.72 0.00 0.00 179.24 178.86 2tgi s ASN 14 N -5.96 5.67 -0.08 6.45 0.01 -1.26 -0.75 114.94 119.02 2tgi s ASN 14 Ca 0.02 1.21 -0.39 0.00 -0.71 0.00 0.00 52.86 52.99 2tgi s ASN 14 Cb 0.08 -2.08 -0.18 0.00 0.41 0.00 0.00 41.25 39.48 2tgi s ASN 14 CO 0.75 -1.20 1.40 0.00 -1.51 0.00 0.00 177.10 176.53 2tgi s LEU 17 N -2.65 4.42 -0.04 0.00 2.96 -1.26 -2.46 118.68 119.65 2tgi s LEU 17 Ca 0.03 2.48 0.06 0.00 -0.22 0.00 0.00 54.13 56.49 2tgi s LEU 17 Cb -0.01 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2tgi s LEU 17 CO -0.10 -0.53 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.03 2tgi s ARG 18 N -0.50 2.18 0.32 1.98 1.81 0.11 -4.57 118.95 120.28 2tgi s ARG 18 Ca 0.55 -0.83 -0.27 0.00 -1.72 0.00 0.00 55.73 53.46 2tgi s ARG 18 Cb -0.38 -1.93 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 2tgi s ARG 18 CO 0.42 0.40 1.06 -1.25 -0.68 0.00 0.00 175.30 175.25 2tgi s PRO 19 N -0.26 4.48 -0.29 3.54 0.04 -1.26 -1.26 135.00 139.99 2tgi s PRO 19 Ca 0.01 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 2tgi s PRO 19 Cb -0.12 -2.95 0.14 0.00 0.04 0.00 0.00 34.50 31.62 2tgi s PRO 19 CO 0.02 0.11 0.62 -1.17 0.04 0.00 0.00 177.00 176.62 2tgi s LEU 20 N -1.88 -1.16 -0.21 -3.56 2.96 -1.26 -4.83 118.68 108.74 2tgi s LEU 20 Ca 0.49 1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 55.68 2tgi s LEU 20 Cb -0.27 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.57 2tgi s LEU 20 CO 0.35 -0.23 0.09 -0.47 -1.32 0.00 0.00 176.35 174.77 2tgi s TYR 21 N 2.87 3.25 -0.17 5.38 5.04 -1.26 -1.12 117.35 131.34 2tgi s TYR 21 Ca 0.01 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 2tgi s TYR 21 Cb -0.13 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 2tgi s TYR 21 CO -0.19 0.07 -0.04 0.42 -1.34 0.00 0.00 175.55 174.47 2tgi s ILE 22 N 0.71 3.76 -0.33 3.14 1.01 0.11 -4.94 121.20 124.66 2tgi s ILE 22 Ca 0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 2tgi s ILE 22 Cb -0.13 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2tgi s ILE 22 CO 0.02 0.48 0.44 -0.62 0.00 0.00 0.00 174.94 175.26 2tgi s ASP 23 N 0.57 6.26 0.13 3.58 -1.08 -1.26 -1.07 116.67 123.79 2tgi s ASP 23 Ca -0.03 -0.05 -0.24 0.00 -0.52 0.00 0.00 52.55 51.71 2tgi s ASP 23 Cb -0.14 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2tgi s ASP 23 CO 0.03 -0.39 1.65 -0.26 0.52 0.00 0.00 175.17 176.71 2tgi h PHE 24 N 8.41 -0.56 -0.11 -5.34 0.04 -1.67 -0.96 116.94 116.76 2tgi h PHE 24 Ca -0.29 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.47 2tgi h PHE 24 Cb 1.14 0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.55 2tgi h PHE 24 CO 0.71 -0.29 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.82 2tgi h LYS 25 N -0.29 0.25 -0.62 1.51 3.64 -1.78 -1.57 116.57 117.71 2tgi h LYS 25 Ca 0.09 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2tgi h LYS 25 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2tgi h LYS 25 CO -0.26 0.65 0.01 -0.09 -2.27 0.00 0.00 179.45 177.49 2tgi h ARG 26 N -0.14 1.08 0.01 1.90 2.43 -1.91 -1.97 114.38 115.78 2tgi h ARG 26 Ca 0.02 -0.34 -0.36 0.00 -0.81 0.00 0.00 59.98 58.49 2tgi h ARG 26 Cb 0.60 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 2tgi h ARG 26 CO 0.02 1.05 -2.24 -0.25 -1.51 0.00 0.00 179.97 177.04 2tgi n ASP 27 N -4.19 0.90 -0.00 -3.80 8.00 -0.37 -4.57 116.55 112.53 2tgi n ASP 27 Ca 0.03 0.07 0.04 0.00 0.71 0.00 0.00 54.79 55.63 2tgi n ASP 27 Cb 0.34 0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 2tgi n ASP 27 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2tgi n LEU 28 N -3.01 0.23 -0.08 0.64 4.77 -0.66 -4.99 117.00 113.90 2tgi n LEU 28 Ca -0.33 -0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 55.33 2tgi n LEU 28 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2tgi n LEU 28 CO 0.39 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.11 2tgi n GLY 29 N 1.51 0.48 3.56 -0.72 0.00 -0.74 -4.98 105.19 104.30 2tgi n GLY 29 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2tgi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2tgi s TRP 30 N -1.90 2.41 -0.96 1.61 0.51 -0.97 -4.84 118.94 114.81 2tgi s TRP 30 Ca 0.00 -0.48 0.27 0.00 -2.12 0.00 0.00 56.10 53.77 2tgi s TRP 30 Cb 0.00 -4.66 0.86 0.00 -0.81 0.00 0.00 33.47 28.86 2tgi s TRP 30 CO 0.00 -2.00 1.67 1.63 -0.51 0.00 0.00 176.95 177.74 2tgi n LYS 31 N 9.09 0.03 0.00 4.98 5.02 -1.26 -3.40 118.16 132.62 2tgi n LYS 31 Ca 0.21 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.65 2tgi n LYS 31 Cb 0.50 -1.53 0.45 0.00 -0.02 0.00 0.00 35.03 34.43 2tgi n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2tgi n TRP 32 N -1.59 0.00 -3.14 2.13 4.27 -1.26 -4.81 117.44 113.03 2tgi n TRP 32 Ca 0.06 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.27 2tgi n TRP 32 Cb 0.35 -0.22 -0.06 0.00 -1.36 0.00 0.00 31.31 30.02 2tgi n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2tgi s ILE 33 N -2.69 5.04 -0.09 -1.67 1.01 -1.26 -4.06 121.20 117.48 2tgi s ILE 33 Ca 0.21 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.83 2tgi s ILE 33 Cb 0.19 -3.92 -0.28 0.00 0.01 0.00 0.00 42.46 38.45 2tgi s ILE 33 CO 0.56 0.13 0.64 -0.74 0.00 0.00 0.00 174.94 175.53 2tgi h HIS 34 N 7.46 0.46 -2.98 3.97 2.76 -0.62 -3.47 115.15 122.73 2tgi h HIS 34 Ca -0.32 -0.34 -0.16 0.00 -2.20 0.00 0.00 60.37 57.35 2tgi h HIS 34 Cb 1.15 -0.02 -0.27 0.00 1.55 0.00 0.00 27.41 29.82 2tgi h HIS 34 CO 0.71 1.49 -0.39 -2.00 -1.30 0.00 0.00 177.93 176.43 2tgi s GLU 35 N -2.46 0.31 0.86 5.26 2.56 -1.15 -4.54 118.70 119.55 2tgi s GLU 35 Ca -0.18 0.48 -0.12 0.00 0.00 0.00 0.00 54.97 55.15 2tgi s GLU 35 Cb 0.03 0.07 0.14 0.00 2.00 0.00 0.00 34.13 36.38 2tgi s GLU 35 CO 0.78 -0.09 1.21 -1.25 -0.56 0.00 0.00 175.26 175.36 2tgi s PRO 36 N 0.58 1.30 0.39 4.30 0.04 -1.26 -1.55 135.00 138.80 2tgi s PRO 36 Ca -0.04 -0.32 0.22 0.00 0.04 0.00 0.00 61.00 60.91 2tgi s PRO 36 Cb -0.05 -1.96 0.27 0.00 0.04 0.00 0.00 34.50 32.79 2tgi s PRO 36 CO -0.03 -1.95 1.50 0.87 0.04 0.00 0.00 177.00 177.43 2tgi h LYS 37 N -1.24 0.00 -2.57 4.56 1.79 -1.91 -3.48 116.57 113.72 2tgi h LYS 37 Ca -0.44 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.17 2tgi h LYS 37 Cb 1.27 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.89 2tgi h LYS 37 CO 0.49 0.03 0.53 0.20 -1.08 0.00 0.00 179.45 179.61 2tgi s GLY 38 N -4.25 0.10 0.16 3.86 0.00 -1.26 -1.80 107.32 104.13 2tgi s GLY 38 Ca 0.06 -0.33 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 2tgi s GLY 38 CO 0.69 1.74 0.77 -2.52 0.00 0.00 0.00 173.10 173.78 2tgi s TYR 39 N -2.34 -0.32 -1.06 1.90 1.13 -0.24 -4.98 117.35 111.45 2tgi s TYR 39 Ca 0.20 0.03 -0.18 0.00 -1.41 0.00 0.00 57.07 55.71 2tgi s TYR 39 Cb -0.03 0.61 0.12 0.00 -1.10 0.00 0.00 41.96 41.57 2tgi s TYR 39 CO 0.06 -0.89 1.33 -0.80 -2.51 0.00 0.00 175.55 172.73 2tgi s ASN 40 N -2.78 6.75 0.06 -0.18 0.01 -1.26 -0.71 114.94 116.83 2tgi s ASN 40 Ca 0.07 -2.24 -0.20 0.00 -0.71 0.00 0.00 52.86 49.78 2tgi s ASN 40 Cb -0.02 -2.45 -0.11 0.00 0.41 0.00 0.00 41.25 39.07 2tgi s ASN 40 CO -0.03 -1.07 1.46 0.00 -1.51 0.00 0.00 177.10 175.95 2tgi h ALA 41 N 8.42 0.25 -3.09 0.60 0.00 -1.41 -3.41 119.26 120.62 2tgi h ALA 41 Ca 0.24 -0.23 0.37 0.00 0.00 0.00 0.00 54.91 55.28 2tgi h ALA 41 Cb 0.97 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2tgi h ALA 41 CO 1.24 0.00 -0.58 0.09 0.00 0.00 0.00 179.25 180.00 2tgi n ASN 42 N -4.67 -8.17 -3.64 0.00 3.02 -0.27 -1.49 115.26 100.03 2tgi n ASN 42 Ca -0.05 0.64 -0.08 0.00 -0.03 0.00 0.00 54.58 55.06 2tgi n ASN 42 Cb 0.26 -4.21 -0.02 0.00 -0.61 0.00 0.00 39.78 35.20 2tgi n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2tgi s PHE 43 N -2.39 -0.31 -0.11 3.10 -0.71 -0.39 -4.72 117.98 112.45 2tgi s PHE 43 Ca 0.00 0.02 -0.00 0.00 -1.04 0.00 0.00 56.93 55.90 2tgi s PHE 43 Cb 0.00 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 2tgi s PHE 43 CO 0.00 -0.90 -0.09 0.00 -1.34 0.00 0.00 175.22 172.88 2tgi s ALA 45 N -0.06 -1.61 0.00 0.00 0.00 -1.03 -4.72 121.76 114.34 2tgi s ALA 45 Ca -0.01 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2tgi s ALA 45 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2tgi s ALA 45 CO 0.03 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2tgi n GLY 46 N 1.09 3.06 3.77 0.00 0.00 -1.26 -1.56 105.19 110.29 2tgi n GLY 46 Ca -0.19 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2tgi n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tgi s ALA 47 N -2.00 2.60 -0.69 4.61 0.00 0.07 -3.79 121.76 122.56 2tgi s ALA 47 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.72 2tgi s ALA 47 Cb 0.00 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.95 2tgi s ALA 47 CO 0.00 -0.98 0.49 0.00 0.00 0.00 0.00 175.76 175.27 2tgi s PRO 49 N -1.39 0.31 -0.03 0.00 0.04 -1.26 -4.71 135.00 127.95 2tgi s PRO 49 Ca 0.25 0.18 -0.34 0.00 0.04 0.00 0.00 61.00 61.13 2tgi s PRO 49 Cb -0.04 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 2tgi s PRO 49 CO -0.17 -2.74 1.81 0.98 0.04 0.00 0.00 177.00 176.92 2tgi n TYR 50 N -4.12 2.31 -1.03 0.56 9.36 -1.26 -1.50 117.16 121.48 2tgi n TYR 50 Ca 0.09 0.06 -0.01 0.00 3.32 0.00 0.00 57.90 61.36 2tgi n TYR 50 Cb 0.59 -2.63 -0.00 0.00 -0.63 0.00 0.00 39.34 36.66 2tgi n TYR 50 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2tgi n LEU 51 N 5.89 0.44 -4.56 2.98 4.77 -1.26 -4.97 117.00 120.29 2tgi n LEU 51 Ca 0.21 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.81 2tgi n LEU 51 Cb 0.29 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.70 2tgi n LEU 51 CO 0.71 -0.57 1.25 0.86 -1.33 0.00 0.00 177.39 178.30 2tgi s TRP 52 N -1.52 2.23 -1.51 -1.77 -0.11 -0.56 -4.21 118.94 111.48 2tgi s TRP 52 Ca 0.00 0.27 -0.03 0.00 1.22 0.00 0.00 56.10 57.56 2tgi s TRP 52 Cb 0.00 -4.47 0.03 0.00 -1.50 0.00 0.00 33.47 27.53 2tgi s TRP 52 CO 0.00 -2.03 0.34 0.43 -4.62 0.00 0.00 176.95 171.07 2tgi n SER 53 N 9.83 -0.34 -4.69 5.86 7.64 -1.26 -4.34 113.62 126.33 2tgi n SER 53 Ca 0.09 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.44 2tgi n SER 53 Cb 0.49 -2.49 -0.03 0.00 -1.01 0.00 0.00 64.21 61.18 2tgi n SER 53 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2tgi s SER 54 N -4.20 6.57 -0.04 6.43 0.01 -1.26 -1.06 113.70 120.15 2tgi s SER 54 Ca 0.13 2.53 -0.09 0.00 1.31 0.00 0.00 55.95 59.83 2tgi s SER 54 Cb -0.07 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2tgi s SER 54 CO 0.93 -0.92 0.45 -0.78 0.41 0.00 0.00 173.24 173.33 2tgi h ASP 55 N 8.62 -0.27 -0.58 2.44 3.58 -1.17 -3.47 116.42 125.57 2tgi h ASP 55 Ca -0.43 0.01 -0.67 0.00 0.42 0.00 0.00 57.03 56.35 2tgi h ASP 55 Cb 1.20 0.07 -0.13 0.00 1.72 0.00 0.00 39.33 42.19 2tgi h ASP 55 CO 0.94 0.06 -0.51 0.42 -2.88 0.00 0.00 179.24 177.26 2tgi s THR 56 N -2.61 1.07 0.34 2.25 -4.23 -1.26 -4.98 115.64 106.23 2tgi s THR 56 Ca -0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2tgi s THR 56 Cb 0.00 -2.15 0.27 0.00 1.34 0.00 0.00 72.50 71.96 2tgi s THR 56 CO 0.14 0.00 2.00 1.56 -0.54 0.00 0.00 174.62 177.78 2tgi h GLN 57 N 1.38 0.89 -0.58 3.99 1.08 -2.00 -1.43 115.11 118.44 2tgi h GLN 57 Ca -0.43 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2tgi h GLN 57 Cb 1.31 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.51 2tgi h GLN 57 CO 0.72 0.59 0.35 1.25 -0.95 0.00 0.00 178.83 180.79 2tgi h HIS 58 N 0.92 0.66 -0.87 2.96 2.76 -1.99 -0.14 115.15 119.44 2tgi h HIS 58 Ca 0.26 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2tgi h HIS 58 Cb -0.08 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 2tgi h HIS 58 CO -0.00 0.38 0.52 0.77 -1.30 0.00 0.00 177.93 178.30 2tgi h SER 59 N 0.69 1.05 0.16 3.26 0.02 -1.64 -0.72 113.55 116.37 2tgi h SER 59 Ca 0.23 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2tgi h SER 59 Cb 0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2tgi h SER 59 CO -0.10 0.81 -0.08 0.03 -1.14 0.00 0.00 176.83 176.36 2tgi h ARG 60 N 1.20 -0.20 -0.18 3.45 3.08 -0.62 -1.32 114.38 119.79 2tgi h ARG 60 Ca 0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2tgi h ARG 60 Cb -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2tgi h ARG 60 CO -0.06 -0.07 0.11 0.28 -1.07 0.00 0.00 179.97 179.17 2tgi h VAL 61 N -0.29 1.05 -0.21 2.04 2.07 -0.93 -2.88 116.25 117.10 2tgi h VAL 61 Ca -0.02 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2tgi h VAL 61 Cb 0.23 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2tgi h VAL 61 CO 0.04 0.05 -0.16 -0.07 0.02 0.00 0.00 177.57 177.44 2tgi h LEU 62 N 0.23 0.35 -0.98 2.57 -0.00 -1.15 -0.91 115.31 115.41 2tgi h LEU 62 Ca 0.06 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.88 57.78 2tgi h LEU 62 Cb -0.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 2tgi h LEU 62 CO -0.01 0.54 -0.06 0.77 -0.00 0.00 0.00 178.44 179.67 2tgi h SER 63 N 0.34 0.64 -0.12 -0.43 4.64 -1.14 0.36 113.55 117.85 2tgi h SER 63 Ca 0.06 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 2tgi h SER 63 Cb 0.49 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2tgi h SER 63 CO 0.03 0.75 -0.29 0.25 -0.87 0.00 0.00 176.83 176.71 2tgi h LEU 64 N 0.62 0.46 -0.59 5.97 5.85 -1.23 -3.03 115.31 123.36 2tgi h LEU 64 Ca 0.12 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2tgi h LEU 64 Cb 0.48 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2tgi h LEU 64 CO 0.02 0.95 0.34 0.22 -0.34 0.00 0.00 178.44 179.64 2tgi h TYR 65 N -0.02 0.64 0.00 1.25 5.03 -0.94 -1.74 116.97 121.20 2tgi h TYR 65 Ca -0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 2tgi h TYR 65 Cb 0.89 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2tgi h TYR 65 CO 0.11 0.35 -0.18 -0.97 -1.32 0.00 0.00 178.16 176.14 2tgi h ASN 66 N 0.67 0.00 -0.34 -2.11 -1.24 -0.35 0.26 115.58 112.47 2tgi h ASN 66 Ca 0.25 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.16 2tgi h ASN 66 Cb 0.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2tgi h ASN 66 CO -0.12 0.18 -0.17 0.74 -1.29 0.00 0.00 177.43 176.77 2tgi h THR 67 N 0.00 1.29 0.03 -3.57 2.02 -1.19 -2.84 112.91 108.65 2tgi h THR 67 Ca -0.00 -1.28 -0.20 0.00 0.77 0.00 0.00 66.41 65.70 2tgi h THR 67 Cb 0.50 1.38 0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2tgi h THR 67 CO 0.02 0.42 -0.79 0.40 0.37 0.00 0.00 175.52 175.94 2tgi h ILE 68 N 0.50 1.39 -2.51 3.11 2.04 -1.31 -3.41 117.51 117.32 2tgi h ILE 68 Ca 0.08 -2.20 -0.60 0.00 1.00 0.00 0.00 64.86 63.14 2tgi h ILE 68 Cb 0.70 2.63 -0.40 0.00 -0.74 0.00 0.00 36.82 39.01 2tgi h ILE 68 CO 0.05 0.65 -0.81 -3.20 0.00 0.00 0.00 178.15 174.84 2tgi n ASN 69 N -4.09 1.34 0.26 1.72 2.85 0.89 -4.93 115.26 113.31 2tgi n ASN 69 Ca -0.11 -2.84 0.11 0.00 -0.11 0.00 0.00 54.58 51.63 2tgi n ASN 69 Cb 0.77 -0.65 0.73 0.00 1.24 0.00 0.00 39.78 41.87 2tgi n ASN 69 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2tgi h PRO 70 N 5.09 0.00 0.00 1.20 0.11 -1.73 -2.36 132.00 134.31 2tgi h PRO 70 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2tgi h PRO 70 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2tgi h PRO 70 CO 0.56 0.09 -0.11 1.05 -0.21 0.00 0.00 178.00 179.38 2tgi h GLU 71 N 0.00 0.00 0.00 1.05 9.09 -1.91 -2.56 114.58 120.24 2tgi h GLU 71 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2tgi h GLU 71 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 2tgi h GLU 71 CO 0.01 0.11 -0.02 0.00 0.05 0.00 0.00 179.01 179.16 2tgi h ALA 72 N 1.89 1.17 -4.18 1.06 0.00 -1.82 -3.46 119.26 113.92 2tgi h ALA 72 Ca -0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2tgi h ALA 72 Cb 0.40 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2tgi h ALA 72 CO 0.01 0.02 -0.57 0.43 0.00 0.00 0.00 179.25 179.14 2tgi n SER 73 N -3.34 -5.71 -1.69 0.00 7.64 -0.97 -4.92 113.62 104.64 2tgi n SER 73 Ca -0.02 -0.20 0.04 0.00 1.01 0.00 0.00 58.87 59.70 2tgi n SER 73 Cb 0.12 -4.67 0.35 0.00 -1.01 0.00 0.00 64.21 59.00 2tgi n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2tgi n ALA 74 N -3.10 3.87 -1.74 -0.43 0.00 -1.26 -5.03 120.51 112.81 2tgi n ALA 74 Ca -0.14 -2.14 -0.37 0.00 0.00 0.00 0.00 53.44 50.79 2tgi n ALA 74 Cb 0.63 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.07 2tgi n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2tgi s SER 75 N -1.14 4.97 0.81 0.00 0.15 -1.26 -4.80 113.70 112.43 2tgi s SER 75 Ca 0.52 2.56 -0.11 0.00 0.70 0.00 0.00 55.95 59.62 2tgi s SER 75 Cb 0.41 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 62.19 2tgi s SER 75 CO 0.13 -1.75 1.12 -2.84 1.20 0.00 0.00 173.24 171.10 2tgi s PRO 76 N -3.25 1.85 0.03 5.44 0.02 -1.26 -5.02 135.00 132.80 2tgi s PRO 76 Ca 0.78 1.36 0.06 0.00 0.02 0.00 0.00 61.00 63.22 2tgi s PRO 76 Cb -0.35 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 2tgi s PRO 76 CO 0.39 -1.98 -0.13 0.00 -0.33 0.00 0.00 177.00 174.95 2tgi s VAL 79 N 5.41 0.59 0.38 0.00 -7.23 0.10 -4.36 120.40 115.29 2tgi s VAL 79 Ca 0.61 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 2tgi s VAL 79 Cb -0.13 -2.18 -0.11 0.00 0.56 0.00 0.00 36.38 34.51 2tgi s VAL 79 CO 0.33 -0.40 1.21 -1.20 -0.31 0.00 0.00 175.10 174.72 2tgi n SER 80 N -0.25 2.28 0.00 4.85 7.64 -1.26 -0.70 113.62 126.17 2tgi n SER 80 Ca -0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2tgi n SER 80 Cb 0.64 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2tgi n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2tgi n GLN 81 N 0.31 0.00 -3.91 1.43 7.27 0.14 -4.64 117.38 117.97 2tgi n GLN 81 Ca 0.07 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.77 2tgi n GLN 81 Cb 0.37 -0.11 -0.07 0.00 2.41 0.00 0.00 30.24 32.84 2tgi n GLN 81 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2tgi s ASP 82 N -4.34 6.18 0.13 1.69 1.01 -1.17 -4.95 116.67 115.21 2tgi s ASP 82 Ca 0.00 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.66 2tgi s ASP 82 Cb 0.00 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2tgi s ASP 82 CO 0.00 0.34 -0.10 -0.76 0.21 0.00 0.00 175.17 174.87 2tgi s LEU 83 N -0.63 2.49 0.19 1.23 1.02 -1.26 0.03 118.68 121.75 2tgi s LEU 83 Ca 0.13 -0.96 0.08 0.00 0.02 0.00 0.00 54.13 53.40 2tgi s LEU 83 Cb -0.12 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.75 2tgi s LEU 83 CO 0.02 -0.33 -0.17 -1.61 0.02 0.00 0.00 176.35 174.28 2tgi s GLU 84 N -3.50 1.31 0.76 1.70 2.02 0.12 -4.80 118.70 116.31 2tgi s GLU 84 Ca 0.13 -1.49 -0.06 0.00 0.02 0.00 0.00 54.97 53.57 2tgi s GLU 84 Cb 0.01 -1.26 0.11 0.00 0.10 0.00 0.00 34.13 33.10 2tgi s GLU 84 CO -0.00 0.24 1.06 -1.25 0.02 0.00 0.00 175.26 175.32 2tgi s PRO 85 N -3.15 1.68 -0.07 0.39 0.04 -1.26 0.22 135.00 132.85 2tgi s PRO 85 Ca 0.19 -0.64 -0.04 0.00 0.04 0.00 0.00 61.00 60.55 2tgi s PRO 85 Cb -0.04 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.36 2tgi s PRO 85 CO 0.07 -1.54 0.17 -1.17 0.04 0.00 0.00 177.00 174.56 2tgi s LEU 86 N -5.32 0.80 -0.19 -3.56 2.96 0.26 -4.74 118.68 108.89 2tgi s LEU 86 Ca 0.65 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.78 2tgi s LEU 86 Cb -0.07 0.47 -0.05 0.00 0.50 0.00 0.00 46.19 47.05 2tgi s LEU 86 CO 0.46 -0.13 0.28 -0.89 -1.32 0.00 0.00 176.35 174.75 2tgi s THR 87 N 0.96 5.30 0.24 3.68 2.01 -1.26 -0.36 115.64 126.21 2tgi s THR 87 Ca -0.07 0.48 0.11 0.00 0.31 0.00 0.00 61.69 62.52 2tgi s THR 87 Cb -0.09 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2tgi s THR 87 CO -0.05 0.34 -0.21 0.27 -0.69 0.00 0.00 174.62 174.28 2tgi s ILE 88 N 0.84 2.35 -0.13 1.82 -4.36 0.73 -4.45 121.20 118.00 2tgi s ILE 88 Ca 0.14 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2tgi s ILE 88 Cb -0.13 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.39 2tgi s ILE 88 CO 0.05 -0.32 -0.14 -0.22 0.24 0.00 0.00 174.94 174.54 2tgi s LEU 89 N -3.20 1.66 0.05 0.37 2.96 -0.60 -0.60 118.68 119.32 2tgi s LEU 89 Ca 0.26 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2tgi s LEU 89 Cb -0.06 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 2tgi s LEU 89 CO 0.12 -0.03 -0.02 -0.72 -1.32 0.00 0.00 176.35 174.39 2tgi s TYR 90 N 1.27 0.49 0.02 5.38 1.13 0.90 0.14 117.35 126.68 2tgi s TYR 90 Ca -0.00 -1.02 -0.01 0.00 -1.41 0.00 0.00 57.07 54.63 2tgi s TYR 90 Cb -0.14 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 2tgi s TYR 90 CO -0.06 -0.38 0.14 0.71 -2.51 0.00 0.00 175.55 173.44 2tgi s TYR 91 N -3.82 3.40 -0.48 -3.49 2.02 -1.26 0.18 117.35 113.91 2tgi s TYR 91 Ca 0.06 0.25 0.03 0.00 -0.37 0.00 0.00 57.07 57.04 2tgi s TYR 91 Cb 0.07 -1.76 0.13 0.00 -0.40 0.00 0.00 41.96 40.00 2tgi s TYR 91 CO -0.10 0.59 0.23 -1.50 -1.57 0.00 0.00 175.55 173.20 2tgi s ILE 92 N -1.32 2.20 0.00 2.71 1.10 0.12 -4.92 121.20 121.10 2tgi s ILE 92 Ca 0.27 -2.98 0.00 0.00 -0.51 0.00 0.00 60.65 57.43 2tgi s ILE 92 Cb -0.12 -2.55 0.00 0.00 0.15 0.00 0.00 42.46 39.94 2tgi s ILE 92 CO 0.19 -0.80 0.00 0.61 -2.11 0.00 0.00 174.94 172.83 2tgi n GLY 93 N 3.38 1.40 0.18 1.50 0.00 -1.26 0.18 105.19 110.56 2tgi n GLY 93 Ca 0.06 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.33 2tgi n GLY 93 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2tgi n LYS 94 N 0.00 0.40 -3.23 1.61 2.85 -1.26 -4.96 118.16 113.57 2tgi n LYS 94 Ca 0.00 -0.93 -0.44 0.00 -1.05 0.00 0.00 58.31 55.89 2tgi n LYS 94 Cb 0.00 -0.62 -0.06 0.00 -0.65 0.00 0.00 35.03 33.69 2tgi n LYS 94 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2tgi s THR 95 N -0.31 5.00 0.10 0.58 2.01 0.13 -5.03 115.64 118.11 2tgi s THR 95 Ca 0.02 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 2tgi s THR 95 Cb 0.02 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 2tgi s THR 95 CO 0.00 -0.81 1.59 -2.16 -0.69 0.00 0.00 174.62 172.55 2tgi s PRO 96 N 2.27 4.22 -0.09 4.92 0.04 -1.26 0.14 135.00 145.23 2tgi s PRO 96 Ca 0.10 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2tgi s PRO 96 Cb -0.23 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 2tgi s PRO 96 CO 0.09 -0.66 -0.15 0.15 0.04 0.00 0.00 177.00 176.46 2tgi s LYS 97 N 2.07 3.00 -0.18 4.56 -0.14 0.47 -4.91 119.74 124.60 2tgi s LYS 97 Ca 0.71 -0.72 -0.01 0.00 -1.36 0.00 0.00 55.97 54.60 2tgi s LYS 97 Cb -0.40 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 2tgi s LYS 97 CO 0.31 0.37 -0.13 0.42 -0.76 0.00 0.00 175.35 175.56 2tgi s ILE 98 N -0.06 2.71 -0.01 2.17 -1.09 -1.26 -0.07 121.20 123.59 2tgi s ILE 98 Ca -0.03 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 2tgi s ILE 98 Cb -0.14 -2.18 0.01 0.00 -1.58 0.00 0.00 42.46 38.57 2tgi s ILE 98 CO 0.04 0.49 -0.03 -1.83 -1.23 0.00 0.00 174.94 172.39 2tgi s GLU 99 N 1.17 0.34 -0.49 2.79 -1.05 0.23 -4.99 118.70 116.71 2tgi s GLU 99 Ca 0.02 -0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.59 2tgi s GLU 99 Cb -0.14 -0.40 0.05 0.00 -0.44 0.00 0.00 34.13 33.21 2tgi s GLU 99 CO -0.05 -0.00 0.57 -1.14 0.95 0.00 0.00 175.26 175.59 2tgi s GLN 100 N 0.35 3.11 -0.21 -4.83 0.74 -1.26 -0.19 119.66 117.37 2tgi s GLN 100 Ca -0.03 -0.92 -0.22 0.00 0.05 0.00 0.00 55.36 54.24 2tgi s GLN 100 Cb -0.07 -4.08 -0.02 0.00 1.10 0.00 0.00 33.01 29.94 2tgi s GLN 100 CO -0.01 -1.14 0.68 -0.51 -0.55 0.00 0.00 175.29 173.76 2tgi s LEU 101 N 2.45 4.13 0.56 3.68 1.43 0.51 -4.91 118.68 126.53 2tgi s LEU 101 Ca 0.14 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 2tgi s LEU 101 Cb -0.19 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.00 2tgi s LEU 101 CO 0.12 -0.33 1.00 -0.94 0.23 0.00 0.00 176.35 176.43 2tgi s SER 102 N 1.25 6.46 -1.29 2.29 1.04 -1.26 -0.58 113.70 121.62 2tgi s SER 102 Ca 0.30 1.50 -0.04 0.00 0.48 0.00 0.00 55.95 58.19 2tgi s SER 102 Cb -0.16 -2.49 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 2tgi s SER 102 CO 0.10 -0.70 0.65 0.59 0.98 0.00 0.00 173.24 174.86 2tgi n ASN 103 N -2.06 -1.92 -0.08 7.02 3.02 -1.21 -4.87 115.26 115.16 2tgi n ASN 103 Ca 0.06 -0.90 -0.14 0.00 -0.03 0.00 0.00 54.58 53.57 2tgi n ASN 103 Cb 0.54 -3.71 -0.14 0.00 -0.61 0.00 0.00 39.78 35.86 2tgi n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2tgi n MET 104 N -4.24 0.68 -4.48 3.52 2.81 0.13 -4.88 117.12 110.66 2tgi n MET 104 Ca -0.26 0.12 -0.34 0.00 -1.81 0.00 0.00 57.70 55.42 2tgi n MET 104 Cb 0.66 -1.58 -0.14 0.00 -0.71 0.00 0.00 33.22 31.45 2tgi n MET 104 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2tgi s ILE 105 N -2.52 3.33 -0.12 2.02 1.01 -0.25 -4.70 121.20 119.97 2tgi s ILE 105 Ca -0.18 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 2tgi s ILE 105 Cb 0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2tgi s ILE 105 CO 0.75 0.49 0.49 0.54 0.00 0.00 0.00 174.94 177.22 2tgi s VAL 106 N 0.61 5.18 -0.03 2.92 0.11 -0.56 0.13 120.40 128.76 2tgi s VAL 106 Ca -0.05 0.98 0.12 0.00 -2.93 0.00 0.00 61.98 60.10 2tgi s VAL 106 Cb -0.15 -3.83 -0.19 0.00 -1.53 0.00 0.00 36.38 30.68 2tgi s VAL 106 CO 0.03 0.32 0.24 0.29 -3.33 0.00 0.00 175.10 172.64 2tgi n LYS 107 N 3.72 0.63 -3.65 1.54 4.76 0.10 -4.76 118.16 120.50 2tgi n LYS 107 Ca -0.07 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.17 2tgi n LYS 107 Cb 0.52 -1.30 -0.05 0.00 -1.84 0.00 0.00 35.03 32.36 2tgi n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2tgi s SER 108 N -3.58 -0.21 0.35 4.39 1.04 -1.19 -4.28 113.70 110.22 2tgi s SER 108 Ca -0.05 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2tgi s SER 108 Cb 0.07 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 2tgi s SER 108 CO 0.51 -0.85 -0.04 0.00 0.98 0.00 0.00 173.24 173.85 2tgi s LYS 110 N -3.70 1.28 -0.38 0.00 -2.85 0.12 -4.47 119.74 109.74 2tgi s LYS 110 Ca 0.33 -0.97 -0.13 0.00 -1.00 0.00 0.00 55.97 54.20 2tgi s LYS 110 Cb 0.06 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 2tgi s LYS 110 CO 0.16 -0.51 0.25 0.00 0.10 0.00 0.00 175.35 175.34