#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 s VAL 2 N 0.00 3.06 -0.32 1.55 1.01 -1.26 -5.01 120.40 119.43 1i17 s VAL 2 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1i17 s VAL 2 Cb 0.00 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 33.03 1i17 s VAL 2 CO 0.00 0.05 0.21 0.00 0.00 0.00 0.00 175.10 175.36 1i17 s ALA 3 N 1.21 0.50 -0.16 5.51 0.00 -1.26 -4.99 121.76 122.57 1i17 s ALA 3 Ca 0.67 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1i17 s ALA 3 Cb -0.39 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1i17 s ALA 3 CO 0.30 -1.90 0.46 0.39 0.00 0.00 0.00 175.76 175.01 1i17 n GLU 4 N 4.65 0.55 -3.02 0.00 -0.58 -1.26 -4.69 120.64 116.28 1i17 n GLU 4 Ca 0.04 -0.48 -0.24 0.00 -0.42 0.00 0.00 57.16 56.06 1i17 n GLU 4 Cb 0.41 -0.94 -0.04 0.00 -0.57 0.00 0.00 31.44 30.30 1i17 n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1i17 n ASN 5 N -0.12 3.30 -4.83 1.62 5.15 -1.26 -5.00 115.26 114.12 1i17 n ASN 5 Ca 0.01 -3.47 -0.32 0.00 -0.60 0.00 0.00 54.58 50.20 1i17 n ASN 5 Cb 0.03 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.69 1i17 n ASN 5 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1i17 s ARG 6 N -3.13 3.73 -0.16 1.20 0.52 -1.26 -4.92 118.95 114.93 1i17 s ARG 6 Ca 0.46 1.02 -0.37 0.00 -0.52 0.00 0.00 55.73 56.32 1i17 s ARG 6 Cb 0.30 -2.10 -0.14 0.00 0.52 0.00 0.00 34.95 33.53 1i17 s ARG 6 CO -0.12 -0.46 1.78 -2.30 0.02 0.00 0.00 175.30 174.21 1i17 n PRO 7 N -1.81 1.64 0.00 3.54 -0.02 -1.26 -0.91 135.00 136.18 1i17 n PRO 7 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1i17 n PRO 7 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1i17 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i17 n GLY 8 N 4.16 2.15 3.74 -1.23 0.00 0.64 -4.46 105.19 110.20 1i17 n GLY 8 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 n ALA 9 N -0.81 2.65 -1.73 4.61 0.00 -0.09 -4.27 120.51 120.87 1i17 n ALA 9 Ca 0.00 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 1i17 n ALA 9 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 19.45 17.00 1i17 n ALA 9 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1i17 n PHE 10 N 2.55 2.28 -4.00 0.00 3.72 -1.26 -1.01 117.46 119.74 1i17 n PHE 10 Ca 0.10 0.45 -0.31 0.00 -0.05 0.00 0.00 57.45 57.64 1i17 n PHE 10 Cb 0.36 -2.38 -0.15 0.00 -0.94 0.00 0.00 39.48 36.37 1i17 n PHE 10 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1i17 s ILE 11 N -1.26 1.77 -0.89 4.37 1.01 0.06 -4.81 121.20 121.46 1i17 s ILE 11 Ca 0.67 -1.29 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1i17 s ILE 11 Cb -0.45 -1.93 0.23 0.00 0.01 0.00 0.00 42.46 40.32 1i17 s ILE 11 CO 0.53 0.01 0.81 -0.54 0.00 0.00 0.00 174.94 175.75 1i17 s LYS 12 N 1.30 3.50 0.08 2.79 1.02 -1.26 -1.46 119.74 125.72 1i17 s LYS 12 Ca -0.05 -2.89 -0.14 0.00 0.02 0.00 0.00 55.97 52.91 1i17 s LYS 12 Cb -0.18 -4.22 -0.21 0.00 -0.52 0.00 0.00 37.83 32.70 1i17 s LYS 12 CO -0.06 -1.25 1.23 1.96 -0.92 0.00 0.00 175.35 176.30 1i17 h GLN 13 N 6.89 0.73 0.00 1.68 4.20 -1.96 -3.50 115.11 123.16 1i17 h GLN 13 Ca 0.12 -0.72 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1i17 h GLN 13 Cb 0.92 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1i17 h GLN 13 CO 0.84 1.30 0.00 0.41 -0.67 0.00 0.00 178.83 180.71 1i17 n GLY 14 N 0.95 0.84 2.77 3.46 0.00 -1.26 -5.13 105.19 106.82 1i17 n GLY 14 Ca -0.10 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1i17 n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i17 s ARG 15 N -1.88 0.80 -0.54 1.61 3.52 -1.26 -5.08 118.95 116.11 1i17 s ARG 15 Ca 0.00 -0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 54.93 1i17 s ARG 15 Cb 0.00 -1.98 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1i17 s ARG 15 CO 0.00 -0.57 1.60 0.21 -0.81 0.00 0.00 175.30 175.73 1i17 s LYS 16 N 1.82 3.11 1.01 5.12 2.20 -1.26 -4.85 119.74 126.89 1i17 s LYS 16 Ca -0.00 0.65 -0.16 0.00 -0.36 0.00 0.00 55.97 56.09 1i17 s LYS 16 Cb -0.16 -4.21 0.21 0.00 -1.51 0.00 0.00 37.83 32.16 1i17 s LYS 16 CO -0.07 -2.16 1.26 -0.51 -0.36 0.00 0.00 175.35 173.51 1i17 s LEU 17 N 7.06 2.19 -0.32 5.43 1.43 -1.26 -5.09 118.68 128.13 1i17 s LEU 17 Ca 0.61 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1i17 s LEU 17 Cb -0.13 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.78 1i17 s LEU 17 CO 0.25 -3.02 0.08 -0.62 0.23 0.00 0.00 176.35 173.27 1i17 s ASP 18 N -4.60 4.26 -0.03 2.29 2.15 -1.26 -5.02 116.67 114.46 1i17 s ASP 18 Ca 0.72 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.91 1i17 s ASP 18 Cb -0.06 -1.11 0.03 0.00 -0.30 0.00 0.00 42.92 41.48 1i17 s ASP 18 CO 0.54 -0.40 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.50 1i17 s ILE 19 N 1.39 0.23 -1.11 4.11 1.01 -1.26 -5.09 121.20 120.48 1i17 s ILE 19 Ca 0.10 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 1i17 s ILE 19 Cb -0.18 -0.31 0.16 0.00 0.01 0.00 0.00 42.46 42.13 1i17 s ILE 19 CO -0.20 0.16 1.33 -0.62 0.00 0.00 0.00 174.94 175.61 1i17 s ASP 20 N 1.01 6.91 0.13 3.58 2.15 -1.26 -4.81 116.67 124.38 1i17 s ASP 20 Ca -0.10 -2.65 -0.16 0.00 0.43 0.00 0.00 52.55 50.07 1i17 s ASP 20 Cb -0.14 -2.40 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 1i17 s ASP 20 CO -0.01 -0.86 1.69 -0.26 -0.17 0.00 0.00 175.17 175.55 1i17 h PHE 21 N 7.76 0.57 0.00 -5.34 0.04 -1.97 -3.50 116.94 114.49 1i17 h PHE 21 Ca 0.26 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1i17 h PHE 21 Cb 0.93 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1i17 h PHE 21 CO 1.13 0.50 0.00 0.41 -0.60 0.00 0.00 178.31 179.75 1i17 n GLY 22 N -0.80 4.31 0.38 -1.45 0.00 -1.26 -4.91 105.19 101.46 1i17 n GLY 22 Ca -0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 1i17 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 h ALA 23 N 0.00 0.14 -0.08 4.61 0.00 -1.99 0.18 119.26 122.12 1i17 h ALA 23 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1i17 h ALA 23 Cb 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i17 h ALA 23 CO 0.00 -0.63 -0.07 1.49 0.00 0.00 0.00 179.25 180.04 1i17 h GLU 24 N -0.03 0.20 -0.72 0.00 4.57 -2.00 -3.00 114.58 113.61 1i17 h GLU 24 Ca 0.33 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1i17 h GLU 24 Cb 0.59 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1i17 h GLU 24 CO -0.94 0.60 0.34 0.78 -1.18 0.00 0.00 179.01 178.62 1i17 h GLY 25 N -0.21 1.10 0.65 1.92 0.00 -1.68 -0.76 103.07 104.08 1i17 h GLY 25 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1i17 h GLY 25 CO 0.02 0.51 -0.16 3.43 0.00 0.00 0.00 176.54 180.33 1i17 h ASN 26 N 1.02 -0.46 -0.30 0.19 2.35 -0.75 -0.27 115.58 117.35 1i17 h ASN 26 Ca 0.25 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1i17 h ASN 26 Cb 0.11 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1i17 h ASN 26 CO -0.03 -0.22 0.17 0.03 -1.65 0.00 0.00 177.43 175.73 1i17 h ARG 27 N -0.28 0.35 0.25 0.81 3.08 -1.34 -1.05 114.38 116.19 1i17 h ARG 27 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1i17 h ARG 27 Cb 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1i17 h ARG 27 CO -0.13 0.23 -0.18 -0.92 -1.07 0.00 0.00 179.97 177.90 1i17 h TYR 28 N 0.36 -0.47 0.06 3.04 3.20 -0.97 -1.87 116.97 120.33 1i17 h TYR 28 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1i17 h TYR 28 Cb 0.00 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1i17 h TYR 28 CO -0.08 -0.28 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.10 1i17 h TYR 29 N -0.43 -0.36 -0.93 -3.82 3.20 -1.03 -0.87 116.97 112.73 1i17 h TYR 29 Ca -0.02 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.03 1i17 h TYR 29 Cb 0.37 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 1i17 h TYR 29 CO -0.11 -0.21 0.59 0.00 -1.64 0.00 0.00 178.16 176.79 1i17 h ALA 30 N 0.63 1.90 0.03 1.82 0.00 -1.08 0.12 119.26 122.67 1i17 h ALA 30 Ca 0.03 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1i17 h ALA 30 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i17 h ALA 30 CO -0.09 -0.19 -1.07 0.00 0.00 0.00 0.00 179.25 177.90 1i17 h ALA 31 N 1.61 0.30 0.00 0.00 0.00 -1.18 -3.41 119.26 116.58 1i17 h ALA 31 Ca 0.49 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1i17 h ALA 31 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i17 h ALA 31 CO -0.24 1.19 -0.09 0.09 0.00 0.00 0.00 179.25 180.20 1i17 n ASN 32 N -3.39 1.63 -0.24 0.00 3.02 -0.35 -4.87 115.26 111.06 1i17 n ASN 32 Ca -0.02 -2.43 0.27 0.00 -0.03 0.00 0.00 54.58 52.36 1i17 n ASN 32 Cb 0.96 -0.24 0.65 0.00 -0.61 0.00 0.00 39.78 40.54 1i17 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1i17 h TYR 33 N 0.00 0.22 -0.91 3.10 -0.00 -1.03 -1.62 116.97 116.74 1i17 h TYR 33 Ca 0.00 0.01 0.22 0.00 -0.00 0.00 0.00 58.73 58.96 1i17 h TYR 33 Cb 0.95 -0.07 -0.06 0.00 -0.00 0.00 0.00 36.73 37.55 1i17 h TYR 33 CO 0.02 0.04 0.61 0.11 -0.00 0.00 0.00 178.16 178.94 1i17 h TRP 34 N 0.15 0.43 -0.31 0.10 5.08 -1.89 -2.21 115.95 117.30 1i17 h TRP 34 Ca 0.49 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.43 1i17 h TRP 34 Cb 1.66 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 27.68 1i17 h TRP 34 CO -0.00 0.10 0.03 1.96 -1.28 0.00 0.00 178.44 179.25 1i17 h GLN 35 N 0.31 0.53 -7.18 0.12 4.20 -1.71 -3.47 115.11 107.92 1i17 h GLN 35 Ca 0.47 -0.15 -0.50 0.00 0.06 0.00 0.00 58.65 58.53 1i17 h GLN 35 Cb 1.32 -0.06 0.07 0.00 0.30 0.00 0.00 27.48 29.12 1i17 h GLN 35 CO -0.15 0.64 0.38 -0.06 -0.67 0.00 0.00 178.83 178.97 1i17 s PHE 36 N -5.10 2.87 0.68 2.96 0.40 -0.83 -5.06 117.98 113.89 1i17 s PHE 36 Ca -0.13 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.60 1i17 s PHE 36 Cb 0.08 -3.08 0.01 0.00 0.51 0.00 0.00 43.02 40.54 1i17 s PHE 36 CO 0.76 -1.27 1.08 -1.25 0.70 0.00 0.00 175.22 175.23 1i17 s PRO 37 N -3.93 2.84 -0.01 0.24 0.04 -1.26 -4.84 135.00 128.08 1i17 s PRO 37 Ca 0.66 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1i17 s PRO 37 Cb -0.18 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1i17 s PRO 37 CO 0.36 -1.19 0.02 -0.40 0.04 0.00 0.00 177.00 175.83 1i17 n ASP 38 N -2.78 4.54 -4.49 6.66 5.68 -0.53 -4.99 116.55 120.64 1i17 n ASP 38 Ca 0.09 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.14 1i17 n ASP 38 Cb 0.53 0.80 -0.10 0.00 -1.14 0.00 0.00 41.12 41.21 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1i17 s GLY 39 N -2.77 1.89 -0.07 6.12 0.00 -0.74 -5.01 107.32 106.74 1i17 s GLY 39 Ca -0.01 -1.87 -0.01 0.00 0.00 0.00 0.00 44.72 42.83 1i17 s GLY 39 CO 0.08 -1.95 -0.02 -0.42 0.00 0.00 0.00 173.10 170.79 1i17 s ILE 40 N -2.50 0.47 -0.61 0.90 1.01 -1.26 -0.76 121.20 118.45 1i17 s ILE 40 Ca 0.30 0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.70 1i17 s ILE 40 Cb -0.05 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1i17 s ILE 40 CO 0.15 0.26 1.60 -0.47 0.00 0.00 0.00 174.94 176.48 1i17 s TYR 41 N 1.62 1.98 -0.18 3.97 5.04 -0.18 -4.97 117.35 124.64 1i17 s TYR 41 Ca 0.00 0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.98 1i17 s TYR 41 Cb -0.13 -4.30 0.05 0.00 0.35 0.00 0.00 41.96 37.93 1i17 s TYR 41 CO -0.04 -2.20 0.47 -0.47 -1.34 0.00 0.00 175.55 171.97 1i17 s TYR 42 N 7.34 -0.56 -0.46 4.97 5.04 -1.26 -0.26 117.35 132.16 1i17 s TYR 42 Ca 0.56 1.31 0.08 0.00 -2.44 0.00 0.00 57.07 56.59 1i17 s TYR 42 Cb -0.12 0.21 0.31 0.00 0.35 0.00 0.00 41.96 42.71 1i17 s TYR 42 CO 0.21 -0.28 0.73 0.39 -1.34 0.00 0.00 175.55 175.26 1i17 n GLU 43 N 3.15 1.64 0.08 4.97 1.02 -1.26 -4.96 120.64 125.28 1i17 n GLU 43 Ca -0.15 -3.87 -0.13 0.00 -0.02 0.00 0.00 57.16 52.99 1i17 n GLU 43 Cb 0.57 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1i17 n GLU 43 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i17 h GLY 44 N 3.44 -0.21 -4.25 0.62 0.00 -1.99 -3.46 103.07 97.22 1i17 h GLY 44 Ca 0.11 0.08 -0.53 0.00 0.00 0.00 0.00 47.33 46.99 1i17 h GLY 44 CO 0.61 -0.08 0.88 0.00 0.00 0.00 0.00 176.54 177.95 1i17 n SER 46 N 1.99 -0.27 -4.13 0.00 2.88 -1.26 -5.15 113.62 107.67 1i17 n SER 46 Ca 0.07 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1i17 n SER 46 Cb 0.38 0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 64.18 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1i17 s GLU 47 N -2.00 0.81 0.56 -1.46 -1.05 -1.26 -5.07 118.70 109.22 1i17 s GLU 47 Ca 0.00 -1.36 0.30 0.00 -0.15 0.00 0.00 54.97 53.77 1i17 s GLU 47 Cb 0.00 0.19 1.46 0.00 -0.44 0.00 0.00 34.13 35.34 1i17 s GLU 47 CO 0.00 -0.19 1.88 0.00 0.95 0.00 0.00 175.26 177.91 1i17 h ALA 48 N 2.97 2.61 0.00 -0.84 0.00 -2.02 -0.35 119.26 121.63 1i17 h ALA 48 Ca -0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1i17 h ALA 48 Cb 1.18 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i17 h ALA 48 CO 0.62 -0.97 -0.01 -0.91 0.00 0.00 0.00 179.25 177.99 1i17 h ASN 49 N 0.00 0.00 -1.28 0.00 2.35 -1.98 -3.35 115.58 111.32 1i17 h ASN 49 Ca 0.35 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.55 1i17 h ASN 49 Cb 1.53 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.81 1i17 h ASN 49 CO -0.00 0.01 1.31 -0.69 -1.65 0.00 0.00 177.43 176.40 1i17 s VAL 50 N -4.92 3.80 1.03 2.81 1.01 -0.14 -4.97 120.40 119.02 1i17 s VAL 50 Ca -0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1i17 s VAL 50 Cb 0.16 -4.84 0.24 0.00 0.00 0.00 0.00 36.38 31.94 1i17 s VAL 50 CO 0.63 -1.75 1.33 0.35 0.00 0.00 0.00 175.10 175.66 1i17 n THR 51 N 6.96 0.00 0.33 3.92 -2.24 -1.26 -4.85 114.28 117.15 1i17 n THR 51 Ca 0.29 -0.93 -0.17 0.00 -2.27 0.00 0.00 64.05 60.97 1i17 n THR 51 Cb 0.50 -1.47 -0.09 0.00 -2.10 0.00 0.00 70.33 67.18 1i17 n THR 51 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1i17 h LYS 52 N 0.00 -0.76 -0.97 -0.78 3.64 -1.95 -1.09 116.57 114.66 1i17 h LYS 52 Ca -0.44 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1i17 h LYS 52 Cb 1.22 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 33.13 1i17 h LYS 52 CO 0.30 -0.51 0.61 1.05 -2.27 0.00 0.00 179.45 178.64 1i17 h GLU 53 N -0.79 0.79 0.75 1.90 4.11 -1.99 -0.00 114.58 119.34 1i17 h GLU 53 Ca -0.08 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1i17 h GLU 53 Cb 0.61 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i17 h GLU 53 CO 0.13 0.52 -0.40 0.52 0.07 0.00 0.00 179.01 179.86 1i17 h MET 54 N 0.81 -1.02 0.22 1.06 2.86 -1.92 -2.94 114.93 114.00 1i17 h MET 54 Ca 0.50 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 58.22 1i17 h MET 54 Cb 0.71 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1i17 h MET 54 CO -0.27 -0.68 -0.37 1.25 1.06 0.00 0.00 176.91 177.90 1i17 h LEU 55 N -1.06 -1.05 0.10 1.22 6.46 -0.12 -1.23 115.31 119.63 1i17 h LEU 55 Ca -0.10 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1i17 h LEU 55 Cb 0.83 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1i17 h LEU 55 CO 0.14 -0.48 -0.05 0.58 -0.62 0.00 0.00 178.44 178.02 1i17 h VAL 56 N -0.66 0.91 0.17 1.05 2.07 -1.15 0.42 116.25 119.05 1i17 h VAL 56 Ca 0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1i17 h VAL 56 Cb 0.65 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1i17 h VAL 56 CO -0.16 0.01 -0.08 0.74 0.02 0.00 0.00 177.57 178.10 1i17 h THR 57 N -0.15 0.86 -0.86 2.57 2.02 -1.54 -1.27 112.91 114.54 1i17 h THR 57 Ca -0.01 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1i17 h THR 57 Cb 0.11 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1i17 h THR 57 CO 0.02 0.02 0.50 -1.28 0.37 0.00 0.00 175.52 175.16 1i17 h SER 58 N -0.27 1.05 0.08 4.18 0.87 -1.16 -1.52 113.55 116.78 1i17 h SER 58 Ca -0.02 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1i17 h SER 58 Cb 0.21 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1i17 h SER 58 CO 0.04 0.83 -0.22 0.00 -0.53 0.00 0.00 176.83 176.95 1i17 h VAL 60 N -0.39 1.00 -0.04 0.00 2.07 -0.93 0.16 116.25 118.12 1i17 h VAL 60 Ca 0.04 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1i17 h VAL 60 Cb 0.43 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1i17 h VAL 60 CO -0.15 0.19 0.01 0.78 0.02 0.00 0.00 177.57 178.43 1i17 h ASN 61 N 1.06 0.06 -0.77 0.57 2.35 -1.08 -2.98 115.58 114.80 1i17 h ASN 61 Ca 0.46 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1i17 h ASN 61 Cb 0.34 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1i17 h ASN 61 CO -0.21 0.24 0.51 0.00 -1.65 0.00 0.00 177.43 176.31 1i17 h ALA 62 N 0.83 0.97 -0.37 -0.83 0.00 -0.19 -2.94 119.26 116.73 1i17 h ALA 62 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1i17 h ALA 62 Cb 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1i17 h ALA 62 CO -0.00 0.39 0.04 1.15 0.00 0.00 0.00 179.25 180.83 1i17 h THR 63 N 1.04 0.77 -0.05 0.00 2.02 -0.74 -0.61 112.91 115.34 1i17 h THR 63 Ca 0.28 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.45 1i17 h THR 63 Cb -0.11 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1i17 h THR 63 CO -0.06 0.03 -0.39 1.56 0.37 0.00 0.00 175.52 177.03 1i17 h GLN 64 N 0.15 -0.50 -0.80 6.66 4.20 -1.36 -1.92 115.11 121.55 1i17 h GLN 64 Ca 0.18 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1i17 h GLN 64 Cb 0.23 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 1i17 h GLN 64 CO -0.26 -0.33 0.50 0.00 -0.67 0.00 0.00 178.83 178.07 1i17 h ALA 65 N 0.12 1.07 -0.16 3.87 0.00 -1.32 -2.90 119.26 119.94 1i17 h ALA 65 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1i17 h ALA 65 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1i17 h ALA 65 CO -0.33 0.28 -0.64 0.00 0.00 0.00 0.00 179.25 178.56 1i17 h ALA 66 N 1.36 0.59 -0.71 0.00 0.00 -0.99 -3.37 119.26 116.13 1i17 h ALA 66 Ca 0.33 -0.55 -0.52 0.00 0.00 0.00 0.00 54.91 54.17 1i17 h ALA 66 Cb 0.08 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 17.42 1i17 h ALA 66 CO -0.14 0.71 -0.62 0.09 0.00 0.00 0.00 179.25 179.29 1i17 n ASN 67 N -3.93 4.91 -0.21 0.00 3.02 -0.73 -4.86 115.26 113.47 1i17 n ASN 67 Ca -0.04 -3.77 0.01 0.00 -0.03 0.00 0.00 54.58 50.76 1i17 n ASN 67 Cb 0.66 -0.42 0.12 0.00 -0.61 0.00 0.00 39.78 39.53 1i17 n ASN 67 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i17 h GLN 68 N 2.05 0.27 -0.11 3.52 4.20 -1.68 -2.51 115.11 120.84 1i17 h GLN 68 Ca 0.36 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.10 1i17 h GLN 68 Cb 1.44 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 1i17 h GLN 68 CO 0.78 0.18 -0.16 0.00 -0.67 0.00 0.00 178.83 178.95 1i17 h ALA 69 N 1.50 -0.10 -0.30 3.87 0.00 -1.90 -0.82 119.26 121.51 1i17 h ALA 69 Ca 0.33 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1i17 h ALA 69 Cb 0.50 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1i17 h ALA 69 CO -0.41 -0.62 0.07 0.93 0.00 0.00 0.00 179.25 179.21 1i17 h GLU 70 N -0.21 0.18 -0.04 0.00 4.39 -1.86 -0.11 114.58 116.92 1i17 h GLU 70 Ca 0.09 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1i17 h GLU 70 Cb 0.34 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1i17 h GLU 70 CO -0.24 0.12 0.02 0.74 -1.16 0.00 0.00 179.01 178.49 1i17 h PHE 71 N 0.18 0.05 -0.41 4.33 0.04 -1.44 -3.01 116.94 116.68 1i17 h PHE 71 Ca 0.14 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.97 1i17 h PHE 71 Cb 0.14 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1i17 h PHE 71 CO -0.16 0.10 0.11 0.77 -0.60 0.00 0.00 178.31 178.53 1i17 h SER 72 N -0.02 0.06 -0.32 2.17 0.02 -0.82 -0.18 113.55 114.46 1i17 h SER 72 Ca 0.01 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1i17 h SER 72 Cb 0.07 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1i17 h SER 72 CO -0.00 0.07 -0.19 0.03 -1.14 0.00 0.00 176.83 175.60 1i17 h ARG 73 N 0.25 -0.14 0.00 3.45 3.08 -1.04 -3.30 114.38 116.68 1i17 h ARG 73 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1i17 h ARG 73 Cb 0.22 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1i17 h ARG 73 CO -0.24 -0.09 -0.04 0.93 -1.07 0.00 0.00 179.97 179.46 1i17 h GLU 74 N -0.15 0.00 -0.99 0.04 4.39 -1.37 -3.41 114.58 113.09 1i17 h GLU 74 Ca 0.16 0.00 0.29 0.00 0.34 0.00 0.00 59.36 60.15 1i17 h GLU 74 Cb 0.40 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.91 1i17 h GLU 74 CO -0.41 0.00 0.56 -0.22 -1.16 0.00 0.00 179.01 177.78 1i17 h LYS 75 N -0.80 0.41 0.00 2.33 3.64 -1.17 0.13 116.57 121.12 1i17 h LYS 75 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i17 h LYS 75 Cb 0.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1i17 h LYS 75 CO 0.00 0.27 0.00 1.96 -2.27 0.00 0.00 179.45 179.41 1i17 h GLN 76 N 0.42 0.00 0.00 1.90 1.08 -1.78 -3.35 115.11 113.38 1i17 h GLN 76 Ca 0.69 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.89 1i17 h GLN 76 Cb 1.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1i17 h GLN 76 CO -0.55 0.00 -0.57 -3.47 -0.95 0.00 0.00 178.83 173.29 1i17 n ASP 77 N -2.98 0.38 -4.72 1.46 2.03 -0.52 -5.09 116.55 107.11 1i17 n ASP 77 Ca -0.03 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 1i17 n ASP 77 Cb 0.08 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1i17 s SER 78 N -4.76 6.70 -0.10 1.67 0.15 0.35 -4.98 113.70 112.72 1i17 s SER 78 Ca 0.00 2.48 -0.06 0.00 0.70 0.00 0.00 55.95 59.07 1i17 s SER 78 Cb 0.00 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1i17 s SER 78 CO 0.00 -0.74 -0.12 0.50 1.20 0.00 0.00 173.24 174.08 1i17 h LYS 79 N 6.81 0.00 -0.17 5.44 1.63 -1.88 -3.42 116.57 124.97 1i17 h LYS 79 Ca -0.42 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.28 1i17 h LYS 79 Cb 1.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1i17 h LYS 79 CO 0.89 0.00 -0.27 1.25 -3.45 0.00 0.00 179.45 177.87 1i17 h LEU 80 N -0.76 0.54 -0.42 5.20 5.85 -2.01 -3.37 115.31 120.34 1i17 h LEU 80 Ca 0.00 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.28 1i17 h LEU 80 Cb 0.33 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1i17 h LEU 80 CO 0.00 0.96 -0.14 -0.74 -0.34 0.00 0.00 178.44 178.18 1i17 h HIS 81 N 0.13 -0.32 -0.46 1.25 2.76 -1.99 -1.84 115.15 114.68 1i17 h HIS 81 Ca 0.02 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1i17 h HIS 81 Cb 0.85 0.21 -0.07 0.00 1.55 0.00 0.00 27.41 29.94 1i17 h HIS 81 CO 0.09 -0.22 0.01 1.96 -1.30 0.00 0.00 177.93 178.47 1i17 h GLN 82 N -0.05 0.12 -0.11 5.26 1.08 -1.84 0.13 115.11 119.71 1i17 h GLN 82 Ca 0.20 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.44 1i17 h GLN 82 Cb 0.36 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 1i17 h GLN 82 CO -0.45 0.08 -0.30 0.00 -0.95 0.00 0.00 178.83 177.20 1i17 h ARG 83 N 0.12 -0.37 0.13 1.46 2.47 -1.52 -0.04 114.38 116.63 1i17 h ARG 83 Ca 0.23 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 1i17 h ARG 83 Cb 0.34 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1i17 h ARG 83 CO -0.37 -0.25 -0.06 0.28 0.56 0.00 0.00 179.97 180.12 1i17 h VAL 84 N -0.39 0.93 -0.44 2.04 2.07 -1.28 -2.71 116.25 116.48 1i17 h VAL 84 Ca 0.09 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1i17 h VAL 84 Cb 0.53 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1i17 h VAL 84 CO -0.33 0.06 0.19 0.25 0.02 0.00 0.00 177.57 177.76 1i17 h LEU 85 N -0.29 0.24 -0.49 2.57 5.85 -0.53 -0.06 115.31 122.60 1i17 h LEU 85 Ca -0.02 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1i17 h LEU 85 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1i17 h LEU 85 CO 0.03 0.17 0.10 -0.50 -0.34 0.00 0.00 178.44 177.90 1i17 h TRP 86 N 0.38 0.84 -0.04 1.25 4.06 -1.05 0.04 115.95 121.43 1i17 h TRP 86 Ca 0.20 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1i17 h TRP 86 Cb 0.15 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 1i17 h TRP 86 CO -0.13 0.77 -0.14 -0.09 -3.56 0.00 0.00 178.44 175.29 1i17 h ARG 87 N 0.68 -0.21 -0.16 0.49 9.65 -1.21 -1.31 114.38 122.30 1i17 h ARG 87 Ca 0.15 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1i17 h ARG 87 Cb 0.37 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.93 1i17 h ARG 87 CO 0.01 -0.14 -0.30 1.25 2.80 0.00 0.00 179.97 183.59 1i17 h LEU 88 N -0.22 -0.93 -0.15 3.80 7.12 -0.85 0.17 115.31 124.25 1i17 h LEU 88 Ca 0.06 0.14 0.05 0.00 0.13 0.00 0.00 57.88 58.26 1i17 h LEU 88 Cb 0.30 0.41 -0.05 0.00 -0.53 0.00 0.00 40.66 40.78 1i17 h LEU 88 CO -0.17 -0.34 -0.18 0.40 -0.13 0.00 0.00 178.44 178.03 1i17 h ILE 89 N -0.35 0.54 -0.53 4.05 2.04 -0.90 -1.34 117.51 121.02 1i17 h ILE 89 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1i17 h ILE 89 Cb 0.52 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1i17 h ILE 89 CO -0.36 0.00 0.32 0.50 0.00 0.00 0.00 178.15 178.61 1i17 h LYS 90 N -0.21 0.72 -0.26 2.37 3.64 -1.00 -1.61 116.57 120.21 1i17 h LYS 90 Ca 0.10 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1i17 h LYS 90 Cb 0.36 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1i17 h LYS 90 CO -0.27 0.52 -0.09 1.49 -2.27 0.00 0.00 179.45 178.83 1i17 h GLU 91 N 0.71 -0.03 0.23 1.90 4.57 -0.35 0.19 114.58 121.79 1i17 h GLU 91 Ca 0.19 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1i17 h GLU 91 Cb -0.01 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1i17 h GLU 91 CO -0.04 -0.02 -0.45 0.82 -1.18 0.00 0.00 179.01 178.15 1i17 h ILE 92 N -0.04 0.12 0.00 2.32 2.04 -1.11 -1.22 117.51 119.63 1i17 h ILE 92 Ca 0.13 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 1i17 h ILE 92 Cb 0.24 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1i17 h ILE 92 CO -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.48 1i17 h SER 94 N 0.00 0.94 0.14 0.00 0.87 -0.61 -3.34 113.55 111.55 1i17 h SER 94 Ca -0.00 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1i17 h SER 94 Cb 0.76 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1i17 h SER 94 CO 0.05 1.12 -0.07 0.00 -0.53 0.00 0.00 176.83 177.41 1i17 h ALA 95 N 0.85 -0.19 -2.76 6.23 0.00 -0.79 -3.43 119.26 119.17 1i17 h ALA 95 Ca 0.10 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.42 1i17 h ALA 95 Cb 0.76 0.07 0.10 0.00 0.00 0.00 0.00 17.79 18.72 1i17 h ALA 95 CO 0.06 -0.60 0.75 0.36 0.00 0.00 0.00 179.25 179.82 1i17 n LYS 96 N -5.17 2.53 -4.35 0.00 2.85 -1.09 -5.04 118.16 107.91 1i17 n LYS 96 Ca -0.08 0.89 -0.18 0.00 -1.05 0.00 0.00 58.31 57.89 1i17 n LYS 96 Cb 0.10 -2.61 -0.10 0.00 -0.65 0.00 0.00 35.03 31.77 1i17 n LYS 96 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1i17 s HIS 97 N -0.65 1.62 -0.05 5.58 3.76 -1.26 -5.00 115.29 119.30 1i17 s HIS 97 Ca 0.58 -0.95 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1i17 s HIS 97 Cb -0.51 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.22 1i17 s HIS 97 CO 0.57 -0.06 -0.16 0.00 -0.85 0.00 0.00 174.74 174.24 1i17 h ASP 99 N 6.40 1.01 0.28 0.00 3.32 -2.02 -2.56 116.42 122.86 1i17 h ASP 99 Ca -0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1i17 h ASP 99 Cb 1.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1i17 h ASP 99 CO 0.48 0.64 0.00 2.22 -1.72 0.00 0.00 179.24 180.86 1i17 n PHE 100 N -4.52 0.00 -1.94 4.55 1.16 -1.26 -4.65 117.46 110.80 1i17 n PHE 100 Ca 0.15 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.49 1i17 n PHE 100 Cb 0.20 -0.24 -0.07 0.00 -1.61 0.00 0.00 39.48 37.76 1i17 n PHE 100 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1i17 s TRP 101 N -2.47 1.71 0.79 2.97 0.51 -0.97 -4.85 118.94 116.62 1i17 s TRP 101 Ca 0.19 0.97 -0.12 0.00 -2.12 0.00 0.00 56.10 55.02 1i17 s TRP 101 Cb 0.12 -3.85 0.07 0.00 -0.81 0.00 0.00 33.47 29.01 1i17 s TRP 101 CO 0.27 -1.32 1.15 -0.48 -0.51 0.00 0.00 176.95 176.05 1i17 s LEU 102 N 12.09 3.11 0.19 2.99 2.34 -1.26 -5.01 118.68 133.13 1i17 s LEU 102 Ca 0.74 2.12 -0.01 0.00 0.06 0.00 0.00 54.13 57.04 1i17 s LEU 102 Cb -0.05 -4.56 0.09 0.00 -0.56 0.00 0.00 46.19 41.11 1i17 s LEU 102 CO 0.09 -2.37 1.46 1.05 -1.06 0.00 0.00 176.35 175.52 1i17 h GLU 103 N -0.94 0.40 -7.12 1.48 4.11 -2.00 -3.46 114.58 107.05 1i17 h GLU 103 Ca -0.45 -0.31 -0.50 0.00 0.07 0.00 0.00 59.36 58.17 1i17 h GLU 103 Cb 1.26 0.06 0.07 0.00 0.50 0.00 0.00 28.75 30.64 1i17 h GLU 103 CO 0.48 0.94 0.40 1.03 0.07 0.00 0.00 179.01 181.94 1i17 s ARG 104 N -3.67 3.34 0.00 1.06 0.52 -1.26 -4.96 118.95 113.97 1i17 s ARG 104 Ca -0.06 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1i17 s ARG 104 Cb 0.11 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1i17 s ARG 104 CO 0.83 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1i17 n GLY 105 N -0.20 -0.18 3.12 -3.53 0.00 -1.26 -5.18 105.19 97.96 1i17 n GLY 105 Ca 0.11 0.58 -0.08 0.00 0.00 0.00 0.00 46.02 46.62 1i17 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 106 N -1.00 0.22 0.00 4.61 0.00 -1.26 -5.31 121.76 119.02 1i17 s ALA 106 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1i17 s ALA 106 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1i17 s ALA 106 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 175.76 175.36