#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i17 n VAL 2 N 0.00 0.00 -2.27 8.89 0.31 -1.26 -5.14 118.33 118.85 1i17 n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1i17 n VAL 2 Cb 0.00 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1i17 n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i17 n ALA 3 N -1.54 0.00 0.06 3.52 0.00 -1.26 -5.00 120.51 116.28 1i17 n ALA 3 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1i17 n ALA 3 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 1i17 n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i17 h GLU 4 N 0.00 0.42 -2.20 0.00 5.08 -2.04 -3.18 114.58 112.66 1i17 h GLU 4 Ca 0.00 -0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.74 1i17 h GLU 4 Cb 0.00 -0.09 -0.42 0.00 0.50 0.00 0.00 28.75 28.74 1i17 h GLU 4 CO 0.00 0.29 -0.65 0.09 -1.00 0.00 0.00 179.01 177.74 1i17 n ASN 5 N -4.48 3.73 -4.78 1.42 5.03 -1.26 -4.96 115.26 109.96 1i17 n ASN 5 Ca 0.02 -3.47 -0.37 0.00 0.87 0.00 0.00 54.58 51.63 1i17 n ASN 5 Cb 0.08 -0.63 -0.03 0.00 -1.02 0.00 0.00 39.78 38.18 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1i17 s ARG 6 N -2.72 3.97 -0.29 3.52 1.70 -1.21 -4.94 118.95 118.99 1i17 s ARG 6 Ca 0.42 1.64 -0.37 0.00 -0.47 0.00 0.00 55.73 56.95 1i17 s ARG 6 Cb 0.20 -2.47 -0.13 0.00 -0.57 0.00 0.00 34.95 31.97 1i17 s ARG 6 CO -0.06 -0.34 2.00 -2.30 -1.08 0.00 0.00 175.30 173.53 1i17 n PRO 7 N -0.28 1.27 0.00 3.89 -0.02 -1.26 -1.15 135.00 137.45 1i17 n PRO 7 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1i17 n PRO 7 Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 5.50 1.03 3.71 -1.23 0.00 0.38 -4.50 105.19 110.07 1i17 n GLY 8 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.89 2.60 -1.71 4.61 0.00 -0.30 -4.23 120.51 120.59 1i17 n ALA 9 Ca 0.00 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 1i17 n ALA 9 Cb 0.00 -2.49 0.05 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 3.67 1.97 -3.96 0.00 3.72 -1.26 -0.78 117.46 120.81 1i17 n PHE 10 Ca 0.15 0.44 -0.30 0.00 -0.05 0.00 0.00 57.45 57.69 1i17 n PHE 10 Cb 0.34 -2.31 -0.14 0.00 -0.94 0.00 0.00 39.48 36.43 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 -1.33 2.33 -1.18 4.37 1.01 0.09 -4.80 121.20 121.69 1i17 s ILE 11 Ca 0.73 -2.77 -0.13 0.00 0.00 0.00 0.00 60.65 58.48 1i17 s ILE 11 Cb -0.42 -2.67 0.19 0.00 0.01 0.00 0.00 42.46 39.57 1i17 s ILE 11 CO 0.48 -0.71 1.36 -0.54 0.00 0.00 0.00 174.94 175.53 1i17 s LYS 12 N 0.35 4.10 0.21 2.79 1.02 -1.26 -1.05 119.74 125.90 1i17 s LYS 12 Ca 0.14 -2.68 0.06 0.00 0.02 0.00 0.00 55.97 53.51 1i17 s LYS 12 Cb -0.22 -4.96 0.15 0.00 -0.52 0.00 0.00 37.83 32.28 1i17 s LYS 12 CO -0.05 -1.66 1.49 1.96 -0.92 0.00 0.00 175.35 176.17 1i17 h GLN 13 N 7.11 0.12 -3.62 1.68 4.20 -1.92 -3.48 115.11 119.20 1i17 h GLN 13 Ca 0.28 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1i17 h GLN 13 Cb 0.88 0.03 0.06 0.00 0.30 0.00 0.00 27.48 28.74 1i17 h GLN 13 CO 1.19 0.80 -0.24 0.41 -0.67 0.00 0.00 178.83 180.33 1i17 n GLY 14 N 0.56 0.32 3.16 3.46 0.00 -1.26 -5.05 105.19 106.38 1i17 n GLY 14 Ca -0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.50 2.17 -0.63 1.61 3.52 -1.26 -4.52 118.95 116.33 1i17 s ARG 15 Ca 0.12 -0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 54.76 1i17 s ARG 15 Cb -0.02 -1.79 -0.00 0.00 -1.56 0.00 0.00 34.95 31.58 1i17 s ARG 15 CO 0.21 0.22 1.65 0.21 -0.81 0.00 0.00 175.30 176.78 1i17 s LYS 16 N 0.18 2.88 0.70 5.12 2.20 -1.26 -4.91 119.74 124.65 1i17 s LYS 16 Ca -0.09 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.80 1i17 s LYS 16 Cb -0.14 -4.30 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1i17 s LYS 16 CO 0.04 -2.46 1.08 -0.51 -0.36 0.00 0.00 175.35 173.14 1i17 s LEU 17 N 7.77 2.95 -0.73 5.43 1.43 -1.26 -5.06 118.68 129.21 1i17 s LEU 17 Ca 0.57 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1i17 s LEU 17 Cb -0.11 -4.09 0.19 0.00 0.03 0.00 0.00 46.19 42.21 1i17 s LEU 17 CO 0.20 -1.33 0.64 -1.81 0.23 0.00 0.00 176.35 174.28 1i17 s ASP 18 N -4.22 6.25 -0.03 2.29 1.01 -1.26 -5.03 116.67 115.68 1i17 s ASP 18 Ca 0.58 -2.64 0.01 0.00 0.71 0.00 0.00 52.55 51.21 1i17 s ASP 18 Cb -0.12 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.74 1i17 s ASP 18 CO 0.53 -0.54 -0.01 -0.63 0.21 0.00 0.00 175.17 174.72 1i17 s ILE 19 N 0.26 0.27 -1.05 0.77 1.01 -1.26 -5.10 121.20 116.10 1i17 s ILE 19 Ca 0.16 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 1i17 s ILE 19 Cb -0.15 -0.34 0.18 0.00 0.01 0.00 0.00 42.46 42.15 1i17 s ILE 19 CO -0.06 0.16 1.20 -0.62 0.00 0.00 0.00 174.94 175.62 1i17 s ASP 20 N 0.97 6.91 0.29 3.58 2.15 -1.26 -4.86 116.67 124.45 1i17 s ASP 20 Ca -0.10 -2.70 -0.00 0.00 0.43 0.00 0.00 52.55 50.18 1i17 s ASP 20 Cb -0.14 -2.35 0.44 0.00 -0.30 0.00 0.00 42.92 40.57 1i17 s ASP 20 CO -0.01 -0.78 1.84 -0.26 -0.17 0.00 0.00 175.17 175.79 1i17 h PHE 21 N 7.77 0.79 0.00 -5.34 0.04 -1.98 -3.50 116.94 114.72 1i17 h PHE 21 Ca 0.22 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1i17 h PHE 21 Cb 0.95 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1i17 h PHE 21 CO 1.07 0.68 0.00 0.41 -0.60 0.00 0.00 178.31 179.87 1i17 n GLY 22 N -0.86 3.61 0.40 -1.45 0.00 -1.26 -4.84 105.19 100.79 1i17 n GLY 22 Ca 0.03 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.29 -0.20 4.61 0.00 -1.99 0.18 119.26 121.58 1i17 h ALA 23 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1i17 h ALA 23 Cb 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1i17 h ALA 23 CO 0.00 -0.83 0.06 0.93 0.00 0.00 0.00 179.25 179.41 1i17 h GLU 24 N -0.13 0.31 -0.68 0.00 4.39 -2.00 -2.80 114.58 113.67 1i17 h GLU 24 Ca 0.21 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1i17 h GLU 24 Cb 0.54 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1i17 h GLU 24 CO -0.82 0.41 0.18 0.78 -1.16 0.00 0.00 179.01 178.41 1i17 h GLY 25 N 0.14 1.14 0.78 -3.84 0.00 -1.64 -0.95 103.07 98.70 1i17 h GLY 25 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1i17 h GLY 25 CO -0.00 0.64 -0.09 3.43 0.00 0.00 0.00 176.54 180.52 1i17 h ASN 26 N 1.02 -0.27 -0.34 0.19 2.35 -0.69 0.25 115.58 118.09 1i17 h ASN 26 Ca 0.22 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1i17 h ASN 26 Cb 0.33 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1i17 h ASN 26 CO -0.00 -0.14 0.17 0.03 -1.65 0.00 0.00 177.43 175.84 1i17 h ARG 27 N -0.17 0.35 0.37 0.81 3.08 -1.33 -1.11 114.38 116.37 1i17 h ARG 27 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1i17 h ARG 27 Cb 0.21 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1i17 h ARG 27 CO -0.09 0.23 -0.21 -0.92 -1.07 0.00 0.00 179.97 177.92 1i17 h TYR 28 N 0.36 -0.55 0.00 3.04 3.20 -1.02 -2.84 116.97 119.16 1i17 h TYR 28 Ca 0.14 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1i17 h TYR 28 Cb 0.04 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1i17 h TYR 28 CO -0.09 -0.33 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.04 1i17 h TYR 29 N -0.55 -0.35 -0.99 -3.82 3.20 -0.89 -1.65 116.97 111.92 1i17 h TYR 29 Ca -0.04 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.08 1i17 h TYR 29 Cb 0.44 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 1i17 h TYR 29 CO -0.08 -0.20 0.64 0.00 -1.64 0.00 0.00 178.16 176.88 1i17 h ALA 30 N 0.72 2.22 0.00 1.82 0.00 -1.20 0.12 119.26 122.94 1i17 h ALA 30 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i17 h ALA 30 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i17 h ALA 30 CO -0.13 -0.57 -0.59 0.00 0.00 0.00 0.00 179.25 177.95 1i17 h ALA 31 N 1.61 0.69 0.00 0.00 0.00 -1.23 -3.42 119.26 116.91 1i17 h ALA 31 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1i17 h ALA 31 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1i17 h ALA 31 CO -0.24 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.10 1i17 n ASN 32 N -2.70 0.73 -0.21 0.00 3.02 -0.39 -4.90 115.26 110.80 1i17 n ASN 32 Ca 0.02 -1.28 0.30 0.00 -0.03 0.00 0.00 54.58 53.59 1i17 n ASN 32 Cb 0.52 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.00 -0.94 3.10 -0.00 -1.08 -1.25 116.97 116.79 1i17 h TYR 33 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 58.73 58.95 1i17 h TYR 33 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 37.26 1i17 h TYR 33 CO 0.00 0.00 0.62 0.11 -0.00 0.00 0.00 178.16 178.89 1i17 h TRP 34 N 0.00 0.61 -0.33 0.10 5.08 -1.87 -2.56 115.95 116.98 1i17 h TRP 34 Ca 0.46 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 60.28 1i17 h TRP 34 Cb 1.85 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 27.83 1i17 h TRP 34 CO 0.00 0.14 -0.47 1.96 -1.28 0.00 0.00 178.44 178.79 1i17 h GLN 35 N 0.44 0.88 -7.16 0.12 4.20 -1.60 -3.39 115.11 108.59 1i17 h GLN 35 Ca 0.51 -0.51 -0.51 0.00 0.06 0.00 0.00 58.65 58.19 1i17 h GLN 35 Cb 1.22 0.04 0.10 0.00 0.30 0.00 0.00 27.48 29.14 1i17 h GLN 35 CO -0.22 1.15 0.40 -0.06 -0.67 0.00 0.00 178.83 179.43 1i17 s PHE 36 N -4.24 2.54 0.05 2.96 0.40 -0.96 -4.99 117.98 113.74 1i17 s PHE 36 Ca -0.10 1.55 -0.31 0.00 -0.60 0.00 0.00 56.93 57.47 1i17 s PHE 36 Cb 0.11 -3.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.32 1i17 s PHE 36 CO 0.88 -1.81 1.31 -1.25 0.70 0.00 0.00 175.22 175.05 1i17 s PRO 37 N -3.84 4.35 0.01 0.24 0.04 -1.26 -4.19 135.00 130.35 1i17 s PRO 37 Ca 0.70 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1i17 s PRO 37 Cb -0.23 -3.40 -0.26 0.00 0.04 0.00 0.00 34.50 30.65 1i17 s PRO 37 CO 0.38 -0.42 0.87 0.22 0.04 0.00 0.00 177.00 178.09 1i17 h ASP 38 N 7.15 0.29 -3.91 6.66 3.58 -1.44 -3.48 116.42 125.27 1i17 h ASP 38 Ca -0.40 -0.42 -0.43 0.00 0.42 0.00 0.00 57.03 56.20 1i17 h ASP 38 Cb 1.20 -0.10 -0.14 0.00 1.72 0.00 0.00 39.33 42.01 1i17 h ASP 38 CO 0.86 1.35 -0.59 -0.83 -2.88 0.00 0.00 179.24 177.15 1i17 s GLY 39 N -4.96 2.04 -0.05 -0.78 0.00 -0.84 -5.02 107.32 97.70 1i17 s GLY 39 Ca -0.08 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.83 1i17 s GLY 39 CO 0.84 -1.70 0.00 -0.42 0.00 0.00 0.00 173.10 171.82 1i17 s ILE 40 N -3.49 0.26 -0.60 0.90 1.01 -1.26 -0.73 121.20 117.28 1i17 s ILE 40 Ca 0.35 0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.85 1i17 s ILE 40 Cb 0.07 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 1i17 s ILE 40 CO 0.15 0.21 1.74 -0.47 0.00 0.00 0.00 174.94 176.57 1i17 s TYR 41 N 1.54 1.81 -0.23 3.97 5.04 0.04 -4.94 117.35 124.58 1i17 s TYR 41 Ca -0.02 0.64 -0.19 0.00 -2.44 0.00 0.00 57.07 55.06 1i17 s TYR 41 Cb -0.13 -4.19 0.06 0.00 0.35 0.00 0.00 41.96 38.05 1i17 s TYR 41 CO -0.03 -2.29 0.59 -0.47 -1.34 0.00 0.00 175.55 172.01 1i17 s TYR 42 N 8.22 -0.72 -0.52 4.97 5.04 -1.26 -0.47 117.35 132.60 1i17 s TYR 42 Ca 0.62 1.66 0.04 0.00 -2.44 0.00 0.00 57.07 56.96 1i17 s TYR 42 Cb -0.12 0.30 0.17 0.00 0.35 0.00 0.00 41.96 42.65 1i17 s TYR 42 CO 0.21 -0.36 0.38 -1.21 -1.34 0.00 0.00 175.55 173.24 1i17 s GLU 43 N 0.67 1.51 0.09 4.97 2.02 -1.26 -4.97 118.70 121.74 1i17 s GLU 43 Ca -0.03 -2.54 -0.11 0.00 0.02 0.00 0.00 54.97 52.31 1i17 s GLU 43 Cb -0.05 -2.25 -0.20 0.00 0.10 0.00 0.00 34.13 31.73 1i17 s GLU 43 CO -0.04 -1.32 1.22 0.78 0.02 0.00 0.00 175.26 175.91 1i17 h GLY 44 N 5.70 0.68 -6.71 -1.39 0.00 -1.94 -3.45 103.07 95.95 1i17 h GLY 44 Ca 0.19 -1.21 -0.62 0.00 0.00 0.00 0.00 47.33 45.69 1i17 h GLY 44 CO 0.51 1.07 1.39 0.00 0.00 0.00 0.00 176.54 179.50 1i17 n SER 46 N 10.01 0.25 -3.79 0.00 7.64 -1.26 -5.15 113.62 121.33 1i17 n SER 46 Ca 0.32 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 60.37 1i17 n SER 46 Cb 0.34 0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1i17 n SER 46 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1i17 s GLU 47 N -2.00 0.97 0.57 1.43 -1.05 -1.26 -5.07 118.70 112.29 1i17 s GLU 47 Ca 0.00 -0.89 0.28 0.00 -0.15 0.00 0.00 54.97 54.21 1i17 s GLU 47 Cb 0.00 0.40 1.48 0.00 -0.44 0.00 0.00 34.13 35.56 1i17 s GLU 47 CO 0.00 -0.35 1.94 0.00 0.95 0.00 0.00 175.26 177.80 1i17 h ALA 48 N 2.58 2.33 -0.06 -0.84 0.00 -2.01 -1.06 119.26 120.19 1i17 h ALA 48 Ca -0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 48 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1i17 h ALA 48 CO 0.52 -0.73 -0.08 -0.91 0.00 0.00 0.00 179.25 178.04 1i17 h ASN 49 N 0.00 0.08 -2.68 0.00 2.35 -1.98 -3.42 115.58 109.93 1i17 h ASN 49 Ca 0.25 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.43 1i17 h ASN 49 Cb 1.17 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 1i17 h ASN 49 CO -0.00 0.18 1.10 -0.69 -1.65 0.00 0.00 177.43 176.37 1i17 s VAL 50 N -4.85 3.66 0.59 2.81 1.01 -0.40 -5.03 120.40 118.19 1i17 s VAL 50 Ca -0.05 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1i17 s VAL 50 Cb 0.16 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1i17 s VAL 50 CO 0.70 -0.16 0.81 0.42 0.00 0.00 0.00 175.10 176.87 1i17 s THR 51 N 4.62 2.29 0.06 3.92 -4.23 -1.26 -4.94 115.64 116.09 1i17 s THR 51 Ca 0.72 -0.88 -0.30 0.00 -1.18 0.00 0.00 61.69 60.05 1i17 s THR 51 Cb -0.29 -2.42 -0.18 0.00 1.34 0.00 0.00 72.50 70.95 1i17 s THR 51 CO 0.28 0.00 1.53 0.50 -0.54 0.00 0.00 174.62 176.39 1i17 h LYS 52 N 0.06 -0.74 -0.96 3.99 3.64 -1.98 -0.78 116.57 119.80 1i17 h LYS 52 Ca -0.34 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1i17 h LYS 52 Cb 1.28 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.19 1i17 h LYS 52 CO 0.42 -0.46 0.61 1.05 -2.27 0.00 0.00 179.45 178.79 1i17 h GLU 53 N -0.85 0.83 0.84 1.90 4.11 -1.99 -0.12 114.58 119.29 1i17 h GLU 53 Ca -0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 1i17 h GLU 53 Cb 0.62 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1i17 h GLU 53 CO 0.13 0.55 -0.40 0.52 0.07 0.00 0.00 179.01 179.87 1i17 h MET 54 N 0.85 -1.08 0.35 1.06 2.86 -1.95 -3.08 114.93 113.93 1i17 h MET 54 Ca 0.48 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 58.18 1i17 h MET 54 Cb 0.61 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1i17 h MET 54 CO -0.25 -0.72 -0.20 1.25 1.06 0.00 0.00 176.91 178.05 1i17 h LEU 55 N -1.12 -0.49 -0.29 1.22 6.46 -0.27 -1.03 115.31 119.79 1i17 h LEU 55 Ca -0.11 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1i17 h LEU 55 Cb 0.86 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1i17 h LEU 55 CO 0.19 -0.32 0.16 0.58 -0.62 0.00 0.00 178.44 178.43 1i17 h VAL 56 N -0.51 1.01 -0.03 1.05 2.07 -1.19 0.13 116.25 118.78 1i17 h VAL 56 Ca -0.04 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1i17 h VAL 56 Cb 0.42 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1i17 h VAL 56 CO 0.05 0.06 -0.03 0.74 0.02 0.00 0.00 177.57 178.41 1i17 h THR 57 N 0.33 0.91 -0.93 2.57 2.02 -1.53 -1.93 112.91 114.35 1i17 h THR 57 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1i17 h THR 57 Cb 0.02 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1i17 h THR 57 CO -0.07 0.00 0.59 0.28 0.37 0.00 0.00 175.52 176.70 1i17 h SER 58 N -0.04 1.10 -0.04 4.18 0.02 -0.85 -1.43 113.55 116.48 1i17 h SER 58 Ca 0.02 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1i17 h SER 58 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1i17 h SER 58 CO -0.05 0.82 -0.02 0.00 -1.14 0.00 0.00 176.83 176.44 1i17 h VAL 60 N -0.01 0.69 -0.58 0.00 2.07 -1.13 0.29 116.25 117.59 1i17 h VAL 60 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1i17 h VAL 60 Cb 0.05 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1i17 h VAL 60 CO -0.05 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.65 1i17 h ASN 61 N -0.03 0.51 -0.13 0.57 2.35 -1.05 -0.85 115.58 116.96 1i17 h ASN 61 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i17 h ASN 61 Cb 0.23 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1i17 h ASN 61 CO -0.29 0.35 0.08 0.00 -1.65 0.00 0.00 177.43 175.92 1i17 h ALA 62 N 1.28 0.16 -0.31 -0.83 0.00 -0.50 -2.87 119.26 116.20 1i17 h ALA 62 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1i17 h ALA 62 Cb 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1i17 h ALA 62 CO -0.13 -0.32 -0.09 1.15 0.00 0.00 0.00 179.25 179.86 1i17 h THR 63 N 0.14 0.67 -0.24 0.00 2.02 -0.62 -0.50 112.91 114.39 1i17 h THR 63 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.26 1i17 h THR 63 Cb 0.03 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 1i17 h THR 63 CO -0.01 0.00 -0.51 1.56 0.37 0.00 0.00 175.52 176.94 1i17 h GLN 64 N -0.01 -0.44 -0.76 6.66 4.20 -1.13 -1.88 115.11 121.74 1i17 h GLN 64 Ca 0.15 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1i17 h GLN 64 Cb 0.24 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1i17 h GLN 64 CO -0.32 -0.30 0.45 0.00 -0.67 0.00 0.00 178.83 177.99 1i17 h ALA 65 N -0.29 1.04 -0.43 3.87 0.00 -1.26 -3.05 119.26 119.13 1i17 h ALA 65 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1i17 h ALA 65 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1i17 h ALA 65 CO -0.47 0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.78 1i17 h ALA 66 N 1.38 0.91 -0.80 0.00 0.00 -0.84 -3.36 119.26 116.54 1i17 h ALA 66 Ca 0.34 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 1i17 h ALA 66 Cb 0.18 -0.17 -0.43 0.00 0.00 0.00 0.00 17.79 17.38 1i17 h ALA 66 CO -0.18 0.63 -0.84 0.09 0.00 0.00 0.00 179.25 178.95 1i17 n ASN 67 N -4.14 4.56 -0.22 0.00 3.02 -0.73 -4.87 115.26 112.88 1i17 n ASN 67 Ca 0.01 -3.58 0.01 0.00 -0.03 0.00 0.00 54.58 50.99 1i17 n ASN 67 Cb 0.40 -0.37 0.12 0.00 -0.61 0.00 0.00 39.78 39.33 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 2.27 0.49 -0.95 3.52 4.20 -1.69 -2.20 115.11 120.74 1i17 h GLN 68 Ca 0.31 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.07 1i17 h GLN 68 Cb 1.45 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 29.05 1i17 h GLN 68 CO 0.71 0.32 0.61 0.00 -0.67 0.00 0.00 178.83 179.81 1i17 h ALA 69 N 1.42 1.49 0.68 3.87 0.00 -1.91 -0.72 119.26 124.09 1i17 h ALA 69 Ca 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1i17 h ALA 69 Cb 0.38 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1i17 h ALA 69 CO -0.29 0.35 -0.33 0.93 0.00 0.00 0.00 179.25 179.92 1i17 h GLU 70 N 1.06 -0.88 0.00 0.00 4.39 -1.82 -3.11 114.58 114.22 1i17 h GLU 70 Ca 0.42 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.17 1i17 h GLU 70 Cb 0.25 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1i17 h GLU 70 CO -0.17 -0.56 -0.06 0.74 -1.16 0.00 0.00 179.01 177.80 1i17 h PHE 71 N -1.15 0.00 0.59 4.33 0.04 -1.28 0.19 116.94 119.66 1i17 h PHE 71 Ca -0.09 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1i17 h PHE 71 Cb 0.73 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.89 1i17 h PHE 71 CO 0.00 0.06 -0.28 0.77 -0.60 0.00 0.00 178.31 178.26 1i17 h SER 72 N 0.00 -0.67 0.24 2.17 0.02 -1.22 -3.36 113.55 110.73 1i17 h SER 72 Ca -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1i17 h SER 72 Cb 0.11 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1i17 h SER 72 CO 0.01 -0.35 -0.12 0.03 -1.14 0.00 0.00 176.83 175.26 1i17 h ARG 73 N -0.99 -0.32 -2.01 3.45 3.08 -1.42 -3.21 114.38 112.97 1i17 h ARG 73 Ca -0.08 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1i17 h ARG 73 Cb 0.66 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 1i17 h ARG 73 CO 0.13 -0.03 -0.26 0.39 -1.07 0.00 0.00 179.97 179.13 1i17 n GLU 74 N -5.12 1.67 0.19 0.04 -0.58 0.03 -3.30 120.64 113.58 1i17 n GLU 74 Ca -0.09 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1i17 n GLU 74 Cb 0.23 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1i17 n GLU 74 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i17 n LYS 75 N 2.18 0.00 0.13 3.49 4.81 -1.21 -4.01 118.16 123.56 1i17 n LYS 75 Ca 0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.60 1i17 n LYS 75 Cb 0.78 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.77 1i17 n LYS 75 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1i17 h GLN 76 N 0.00 -0.43 0.00 1.64 1.08 -1.56 -3.32 115.11 112.52 1i17 h GLN 76 Ca 0.00 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1i17 h GLN 76 Cb 0.00 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1i17 h GLN 76 CO 0.00 -0.29 -0.25 0.22 -0.95 0.00 0.00 178.83 177.56 1i17 h ASP 77 N -0.45 0.00 -1.13 1.46 3.58 -1.85 -3.44 116.42 114.59 1i17 h ASP 77 Ca 0.02 -0.20 -0.64 0.00 0.42 0.00 0.00 57.03 56.63 1i17 h ASP 77 Cb 0.45 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.41 1i17 h ASP 77 CO -0.10 0.73 1.71 -0.44 -2.88 0.00 0.00 179.24 178.25 1i17 s SER 78 N -5.82 6.64 0.05 2.28 0.01 -1.25 -4.90 113.70 110.71 1i17 s SER 78 Ca -0.09 -1.88 -0.23 0.00 1.31 0.00 0.00 55.95 55.06 1i17 s SER 78 Cb 0.01 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.56 1i17 s SER 78 CO 0.22 -1.34 1.36 0.50 0.41 0.00 0.00 173.24 174.38 1i17 h LYS 79 N 8.89 -0.65 -0.06 12.44 3.64 -1.87 -3.20 116.57 135.76 1i17 h LYS 79 Ca 0.29 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1i17 h LYS 79 Cb 0.96 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1i17 h LYS 79 CO 1.42 -0.43 -0.29 1.25 -2.27 0.00 0.00 179.45 179.13 1i17 h LEU 80 N -0.67 0.11 -0.71 5.20 5.85 -1.92 -3.34 115.31 119.83 1i17 h LEU 80 Ca -0.05 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.77 1i17 h LEU 80 Cb 0.58 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 1i17 h LEU 80 CO -0.02 0.40 0.25 -0.74 -0.34 0.00 0.00 178.44 177.99 1i17 h HIS 81 N 0.10 0.42 -0.43 1.25 2.76 -1.84 -2.86 115.15 114.55 1i17 h HIS 81 Ca 0.01 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1i17 h HIS 81 Cb 0.56 -0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.36 1i17 h HIS 81 CO 0.00 0.04 -0.54 1.96 -1.30 0.00 0.00 177.93 178.09 1i17 h GLN 82 N 0.39 -0.36 -0.48 5.26 1.08 -1.70 0.55 115.11 119.86 1i17 h GLN 82 Ca 0.38 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.68 1i17 h GLN 82 Cb 0.57 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.99 1i17 h GLN 82 CO -0.40 -0.24 -0.45 -0.09 -0.95 0.00 0.00 178.83 176.70 1i17 h ARG 83 N -0.37 -0.28 0.38 1.46 9.65 -1.77 0.16 114.38 123.60 1i17 h ARG 83 Ca 0.09 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1i17 h ARG 83 Cb 0.59 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1i17 h ARG 83 CO -0.61 -0.19 -0.18 0.28 2.80 0.00 0.00 179.97 182.07 1i17 h VAL 84 N -0.29 0.64 -0.10 0.20 2.07 -1.54 -2.48 116.25 114.74 1i17 h VAL 84 Ca 0.15 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1i17 h VAL 84 Cb 0.58 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1i17 h VAL 84 CO -0.63 0.04 -0.09 0.25 0.02 0.00 0.00 177.57 177.16 1i17 h LEU 85 N -0.60 -0.27 -0.66 2.57 5.85 -0.68 -1.43 115.31 120.08 1i17 h LEU 85 Ca -0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1i17 h LEU 85 Cb 0.44 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1i17 h LEU 85 CO 0.08 -0.12 0.42 -0.50 -0.34 0.00 0.00 178.44 177.99 1i17 h TRP 86 N -0.10 0.84 -0.17 1.25 4.06 -1.02 -0.22 115.95 120.59 1i17 h TRP 86 Ca 0.07 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1i17 h TRP 86 Cb 0.20 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 1i17 h TRP 86 CO -0.20 0.54 -0.04 -0.09 -3.56 0.00 0.00 178.44 175.09 1i17 h ARG 87 N 0.89 0.01 -0.05 0.49 9.65 -1.22 -0.55 114.38 123.60 1i17 h ARG 87 Ca 0.24 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 1i17 h ARG 87 Cb -0.08 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 1i17 h ARG 87 CO -0.05 0.00 -0.20 1.25 2.80 0.00 0.00 179.97 183.77 1i17 h LEU 88 N 0.01 -0.60 -0.38 3.80 6.46 -0.94 -0.38 115.31 123.28 1i17 h LEU 88 Ca 0.08 0.09 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1i17 h LEU 88 Cb 0.12 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 1i17 h LEU 88 CO -0.17 -0.26 -0.21 0.40 -0.62 0.00 0.00 178.44 177.58 1i17 h ILE 89 N -0.30 0.41 -0.57 4.05 2.04 -0.90 -1.45 117.51 120.80 1i17 h ILE 89 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1i17 h ILE 89 Cb 0.40 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1i17 h ILE 89 CO -0.22 0.00 0.37 0.11 0.00 0.00 0.00 178.15 178.41 1i17 h LYS 90 N -0.15 0.72 -0.22 2.37 1.57 -0.75 0.80 116.57 120.92 1i17 h LYS 90 Ca 0.19 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1i17 h LYS 90 Cb 0.43 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1i17 h LYS 90 CO -0.47 0.48 -0.15 0.93 -0.57 0.00 0.00 179.45 179.67 1i17 h GLU 91 N 0.74 -0.14 0.20 3.15 4.39 -0.68 -0.02 114.58 122.22 1i17 h GLU 91 Ca 0.22 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1i17 h GLU 91 Cb -0.04 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1i17 h GLU 91 CO -0.07 -0.09 -0.19 0.82 -1.16 0.00 0.00 179.01 178.32 1i17 h ILE 92 N -0.15 0.57 -0.99 3.13 2.04 -0.93 -0.98 117.51 120.21 1i17 h ILE 92 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1i17 h ILE 92 Cb 0.33 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1i17 h ILE 92 CO -0.30 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.48 1i17 h SER 94 N 1.10 0.48 -0.97 0.00 0.02 -0.87 -3.32 113.55 109.99 1i17 h SER 94 Ca 0.45 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1i17 h SER 94 Cb 0.27 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1i17 h SER 94 CO -0.20 0.52 0.64 0.00 -1.14 0.00 0.00 176.83 176.65 1i17 h ALA 95 N 0.98 1.31 0.00 3.77 0.00 -0.40 -3.28 119.26 121.64 1i17 h ALA 95 Ca 0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1i17 h ALA 95 Cb 0.19 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1i17 h ALA 95 CO -0.01 0.64 -0.08 0.36 0.00 0.00 0.00 179.25 180.17 1i17 n LYS 96 N -4.39 1.29 -2.00 0.00 2.85 -1.03 -4.95 118.16 109.93 1i17 n LYS 96 Ca 0.11 -0.64 -0.40 0.00 -1.05 0.00 0.00 58.31 56.34 1i17 n LYS 96 Cb 0.01 -1.81 -0.00 0.00 -0.65 0.00 0.00 35.03 32.58 1i17 n LYS 96 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1i17 s HIS 97 N 1.68 2.77 0.19 5.58 -3.43 -1.24 -4.92 115.29 115.92 1i17 s HIS 97 Ca 0.43 1.37 -0.30 0.00 -0.80 0.00 0.00 55.06 55.76 1i17 s HIS 97 Cb 0.20 -3.74 -0.08 0.00 -1.43 0.00 0.00 32.58 27.54 1i17 s HIS 97 CO 0.00 -2.27 0.96 0.00 -2.00 0.00 0.00 174.74 171.44 1i17 h ASP 99 N 4.70 1.07 0.59 0.00 3.58 -2.02 -3.19 116.42 121.16 1i17 h ASP 99 Ca -0.44 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1i17 h ASP 99 Cb 1.21 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1i17 h ASP 99 CO 0.70 0.88 0.00 2.22 -2.88 0.00 0.00 179.24 180.15 1i17 n PHE 100 N -4.33 0.63 -1.63 0.28 1.16 -1.26 -4.84 117.46 107.47 1i17 n PHE 100 Ca 0.09 0.26 -0.46 0.00 -1.87 0.00 0.00 57.45 55.47 1i17 n PHE 100 Cb 0.11 -0.91 -0.04 0.00 -1.61 0.00 0.00 39.48 37.03 1i17 n PHE 100 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 1i17 n TRP 101 N -2.08 2.20 -2.28 2.97 8.01 -1.21 -4.94 117.44 120.12 1i17 n TRP 101 Ca 0.02 -0.10 -0.33 0.00 -1.31 0.00 0.00 57.50 55.78 1i17 n TRP 101 Cb 0.19 -2.70 -0.02 0.00 -2.01 0.00 0.00 31.31 26.77 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1i17 s LEU 102 N 5.64 3.62 0.20 -0.99 1.02 -1.26 -4.99 118.68 121.91 1i17 s LEU 102 Ca 0.96 1.75 -0.09 0.00 0.02 0.00 0.00 54.13 56.77 1i17 s LEU 102 Cb -0.55 -4.53 0.12 0.00 0.02 0.00 0.00 46.19 41.25 1i17 s LEU 102 CO 0.45 -0.88 1.74 -0.08 0.02 0.00 0.00 176.35 177.60 1i17 h GLU 103 N 0.84 1.11 -3.74 1.70 4.81 -2.00 -3.42 114.58 113.87 1i17 h GLU 103 Ca -0.47 -0.23 -0.44 0.00 -0.13 0.00 0.00 59.36 58.09 1i17 h GLU 103 Cb 1.21 -0.17 -0.38 0.00 0.63 0.00 0.00 28.75 30.04 1i17 h GLU 103 CO 0.59 0.94 -0.77 0.50 -0.73 0.00 0.00 179.01 179.54 1i17 s ARG 104 N -5.45 0.65 0.54 1.92 3.00 -1.26 -5.16 118.95 113.18 1i17 s ARG 104 Ca -0.12 0.08 -0.03 0.00 -1.00 0.00 0.00 55.73 54.66 1i17 s ARG 104 Cb 0.15 -0.97 0.01 0.00 0.00 0.00 0.00 34.95 34.14 1i17 s ARG 104 CO 0.83 -0.28 0.80 0.20 0.00 0.00 0.00 175.30 176.85 1i17 s GLY 105 N 1.87 1.63 -0.02 8.12 0.00 -1.26 -5.14 107.32 112.52 1i17 s GLY 105 Ca 0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1i17 s GLY 105 CO -0.05 -0.70 0.14 0.00 0.00 0.00 0.00 173.10 172.49 1i17 s ALA 106 N -2.81 -0.33 -2.00 3.20 0.00 -1.26 -5.20 121.76 113.36 1i17 s ALA 106 Ca 0.53 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.65 1i17 s ALA 106 Cb -0.10 -0.01 0.72 0.00 0.00 0.00 0.00 23.12 23.72 1i17 s ALA 106 CO 0.41 -0.16 1.15 0.00 0.00 0.00 0.00 175.76 177.16