#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 2.49 0.00 1.55 0.11 -1.26 -4.92 120.40 118.37 1i17 s VAL 2 Ca 0.00 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1i17 s VAL 2 Cb 0.00 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 1i17 s VAL 2 CO 0.00 0.01 1.33 0.00 -3.33 0.00 0.00 175.10 173.11 1i17 n ALA 3 N -0.62 3.11 0.10 1.54 0.00 -1.26 -3.94 120.51 119.44 1i17 n ALA 3 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 1i17 n ALA 3 Cb 0.45 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 1.37 0.57 -2.93 0.00 4.39 -2.01 -3.33 114.58 112.63 1i17 h GLU 4 Ca 0.00 -0.79 -0.70 0.00 0.34 0.00 0.00 59.36 58.21 1i17 h GLU 4 Cb 0.77 0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1i17 h GLU 4 CO 0.00 1.36 3.33 -1.71 -1.16 0.00 0.00 179.01 180.83 1i17 n ASN 5 N -3.75 8.26 -4.89 1.42 5.15 -1.25 -4.83 115.26 115.35 1i17 n ASN 5 Ca -0.13 -2.78 -0.31 0.00 -0.60 0.00 0.00 54.58 50.77 1i17 n ASN 5 Cb 1.00 -1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 38.70 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i17 s ARG 6 N 1.11 3.69 -0.04 1.20 1.70 -1.25 -4.99 118.95 120.37 1i17 s ARG 6 Ca 0.63 0.06 -0.30 0.00 -0.47 0.00 0.00 55.73 55.65 1i17 s ARG 6 Cb 0.18 -2.71 -0.09 0.00 -0.57 0.00 0.00 34.95 31.76 1i17 s ARG 6 CO -0.07 0.33 2.02 -0.35 -1.08 0.00 0.00 175.30 176.15 1i17 n PRO 7 N -0.34 2.56 0.00 3.89 -0.04 -1.26 -1.04 135.00 138.78 1i17 n PRO 7 Ca -0.01 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1i17 n PRO 7 Cb 0.53 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1i17 n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i17 n GLY 8 N 4.81 2.10 3.74 0.55 0.00 0.56 -4.58 105.19 112.37 1i17 n GLY 8 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1i17 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i17 s ALA 9 N -2.14 3.77 0.60 4.61 0.00 -0.20 -4.26 121.76 124.13 1i17 s ALA 9 Ca 0.00 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 1i17 s ALA 9 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1i17 s ALA 9 CO 0.00 -0.94 1.33 -0.06 0.00 0.00 0.00 175.76 176.09 1i17 s PHE 10 N 0.23 2.16 -0.38 0.00 0.08 -1.26 -0.75 117.98 118.05 1i17 s PHE 10 Ca 0.65 1.42 0.03 0.00 0.12 0.00 0.00 56.93 59.15 1i17 s PHE 10 Cb -0.47 -3.76 0.11 0.00 -0.57 0.00 0.00 43.02 38.32 1i17 s PHE 10 CO 0.44 -2.97 0.12 0.42 -0.10 0.00 0.00 175.22 173.13 1i17 s ILE 11 N -1.34 2.09 -0.92 0.64 1.01 0.08 -4.77 121.20 117.99 1i17 s ILE 11 Ca 0.77 -2.46 -0.17 0.00 0.00 0.00 0.00 60.65 58.80 1i17 s ILE 11 Cb -0.39 -2.52 0.16 0.00 0.01 0.00 0.00 42.46 39.71 1i17 s ILE 11 CO 0.44 -0.68 1.06 -0.54 0.00 0.00 0.00 174.94 175.22 1i17 s LYS 12 N 0.69 3.64 0.30 2.79 1.02 -1.26 -1.19 119.74 125.73 1i17 s LYS 12 Ca 0.13 -1.99 0.16 0.00 0.02 0.00 0.00 55.97 54.29 1i17 s LYS 12 Cb -0.21 -4.81 0.16 0.00 -0.52 0.00 0.00 37.83 32.45 1i17 s LYS 12 CO -0.08 -1.65 1.49 1.96 -0.92 0.00 0.00 175.35 176.15 1i17 h GLN 13 N 8.47 0.00 0.00 1.68 4.20 -1.94 -3.48 115.11 124.04 1i17 h GLN 13 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1i17 h GLN 13 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1i17 h GLN 13 CO 1.03 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 180.04 1i17 n GLY 14 N 1.11 0.68 3.71 3.46 0.00 -1.26 -5.04 105.19 107.86 1i17 n GLY 14 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.14 4.31 0.18 1.61 3.52 -1.26 -4.59 118.95 122.58 1i17 s ARG 15 Ca 0.00 2.03 -0.30 0.00 -0.13 0.00 0.00 55.73 57.32 1i17 s ARG 15 Cb 0.00 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.94 1i17 s ARG 15 CO 0.00 -0.48 1.28 0.21 -0.81 0.00 0.00 175.30 175.50 1i17 s LYS 16 N 1.56 4.42 0.57 5.12 2.20 -1.26 -4.86 119.74 127.48 1i17 s LYS 16 Ca 0.64 1.99 0.07 0.00 -0.36 0.00 0.00 55.97 58.31 1i17 s LYS 16 Cb -0.35 -3.22 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1i17 s LYS 16 CO 0.29 -0.22 0.58 1.28 -0.36 0.00 0.00 175.35 176.92 1i17 n LEU 17 N 2.77 0.00 -3.77 5.43 4.77 -1.26 -5.13 117.00 119.82 1i17 n LEU 17 Ca 0.06 -2.74 -0.30 0.00 -0.03 0.00 0.00 56.01 53.00 1i17 n LEU 17 Cb 0.43 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1i17 n LEU 17 CO 0.57 -0.64 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.04 1i17 s ASP 18 N -4.41 4.10 -0.02 -1.43 2.15 -1.26 -5.05 116.67 110.76 1i17 s ASP 18 Ca 0.44 -1.76 0.00 0.00 0.43 0.00 0.00 52.55 51.67 1i17 s ASP 18 Cb -0.03 -0.97 0.01 0.00 -0.30 0.00 0.00 42.92 41.63 1i17 s ASP 18 CO 0.28 -0.40 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.24 1i17 s ILE 19 N 1.46 0.14 -0.87 4.11 1.01 -1.26 -5.10 121.20 120.69 1i17 s ILE 19 Ca 0.10 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1i17 s ILE 19 Cb -0.18 -0.19 0.09 0.00 0.01 0.00 0.00 42.46 42.19 1i17 s ILE 19 CO -0.22 0.09 1.17 -0.62 0.00 0.00 0.00 174.94 175.36 1i17 s ASP 20 N 0.56 6.46 0.22 3.58 2.15 -1.26 -4.84 116.67 123.54 1i17 s ASP 20 Ca -0.05 -1.55 0.06 0.00 0.43 0.00 0.00 52.55 51.44 1i17 s ASP 20 Cb -0.08 -2.45 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1i17 s ASP 20 CO -0.01 -1.31 1.50 -0.26 -0.17 0.00 0.00 175.17 174.92 1i17 h PHE 21 N 9.31 0.15 0.00 -5.34 0.04 -1.98 -3.51 116.94 115.62 1i17 h PHE 21 Ca 0.03 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1i17 h PHE 21 Cb 1.03 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1i17 h PHE 21 CO 1.14 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 180.06 1i17 n GLY 22 N 0.55 3.31 0.42 -1.45 0.00 -1.26 -4.80 105.19 101.96 1i17 n GLY 22 Ca -0.02 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.47 -0.29 4.61 0.00 -1.99 0.16 119.26 121.28 1i17 h ALA 23 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1i17 h ALA 23 Cb 0.00 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1i17 h ALA 23 CO 0.00 -0.93 0.12 0.93 0.00 0.00 0.00 179.25 179.37 1i17 h GLU 24 N -0.06 0.43 -0.70 0.00 4.39 -2.00 -2.79 114.58 113.86 1i17 h GLU 24 Ca 0.18 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 1i17 h GLU 24 Cb 0.46 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1i17 h GLU 24 CO -0.90 0.45 0.21 0.78 -1.16 0.00 0.00 179.01 178.39 1i17 h GLY 25 N 0.32 1.16 0.81 -3.84 0.00 -1.59 -1.01 103.07 98.92 1i17 h GLY 25 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.76 1i17 h GLY 25 CO -0.01 0.64 -0.11 3.43 0.00 0.00 0.00 176.54 180.48 1i17 h ASN 26 N 1.03 -0.31 -0.37 0.19 2.35 -0.69 0.12 115.58 117.90 1i17 h ASN 26 Ca 0.23 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1i17 h ASN 26 Cb 0.30 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1i17 h ASN 26 CO -0.01 -0.17 0.20 0.03 -1.65 0.00 0.00 177.43 175.84 1i17 h ARG 27 N -0.23 0.40 0.24 0.81 3.08 -1.37 -1.62 114.38 115.70 1i17 h ARG 27 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1i17 h ARG 27 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1i17 h ARG 27 CO -0.06 0.27 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.02 1i17 h TYR 28 N 0.42 -0.43 0.01 3.04 3.20 -0.97 -2.43 116.97 119.81 1i17 h TYR 28 Ca 0.15 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i17 h TYR 28 Cb 0.03 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1i17 h TYR 28 CO -0.08 -0.26 -0.14 -0.92 -1.64 0.00 0.00 178.16 175.12 1i17 h TYR 29 N -0.41 -0.35 -0.99 -3.82 3.20 -0.96 -1.24 116.97 112.41 1i17 h TYR 29 Ca -0.02 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1i17 h TYR 29 Cb 0.35 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 1i17 h TYR 29 CO -0.10 -0.20 0.62 0.00 -1.64 0.00 0.00 178.16 176.84 1i17 h ALA 30 N 0.70 1.96 0.00 1.82 0.00 -1.22 0.82 119.26 123.35 1i17 h ALA 30 Ca 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1i17 h ALA 30 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i17 h ALA 30 CO -0.12 -0.32 -0.66 0.00 0.00 0.00 0.00 179.25 178.14 1i17 h ALA 31 N 1.63 0.71 0.00 0.00 0.00 -1.17 -3.41 119.26 117.01 1i17 h ALA 31 Ca 0.56 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i17 h ALA 31 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i17 h ALA 31 CO -0.31 0.50 -0.04 0.09 0.00 0.00 0.00 179.25 179.50 1i17 n ASN 32 N -3.07 1.03 -0.21 0.00 3.02 -0.49 -4.90 115.26 110.64 1i17 n ASN 32 Ca -0.00 -1.66 0.28 0.00 -0.03 0.00 0.00 54.58 53.17 1i17 n ASN 32 Cb 0.70 -0.05 0.69 0.00 -0.61 0.00 0.00 39.78 40.52 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 0.10 -1.00 3.10 -0.00 -1.12 -1.87 116.97 116.18 1i17 h TYR 33 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 58.73 58.99 1i17 h TYR 33 Cb 0.81 -0.03 -0.07 0.00 0.00 0.00 0.00 36.73 37.44 1i17 h TYR 33 CO 0.01 0.02 0.67 0.11 -0.00 0.00 0.00 178.16 178.96 1i17 h TRP 34 N 0.07 0.46 -0.10 0.10 5.08 -1.87 -2.19 115.95 117.49 1i17 h TRP 34 Ca 0.46 0.02 -0.12 0.00 1.08 0.00 0.00 58.89 60.32 1i17 h TRP 34 Cb 1.72 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 27.73 1i17 h TRP 34 CO -0.00 0.07 -0.48 1.96 -1.28 0.00 0.00 178.44 178.71 1i17 h GLN 35 N 0.30 0.25 -7.21 0.12 4.20 -1.74 -3.44 115.11 107.59 1i17 h GLN 35 Ca 0.53 -0.13 -0.48 0.00 0.06 0.00 0.00 58.65 58.63 1i17 h GLN 35 Cb 1.53 0.01 0.03 0.00 0.30 0.00 0.00 27.48 29.34 1i17 h GLN 35 CO -0.19 0.67 0.38 -0.06 -0.67 0.00 0.00 178.83 178.97 1i17 s PHE 36 N -4.01 3.40 0.13 2.96 0.40 -0.83 -5.06 117.98 114.98 1i17 s PHE 36 Ca -0.04 1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 57.44 1i17 s PHE 36 Cb 0.13 -2.82 -0.07 0.00 0.51 0.00 0.00 43.02 40.77 1i17 s PHE 36 CO 0.78 -0.50 1.17 -1.25 0.70 0.00 0.00 175.22 176.13 1i17 s PRO 37 N -4.16 4.50 0.00 0.24 0.04 -1.26 -4.61 135.00 129.75 1i17 s PRO 37 Ca 0.59 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1i17 s PRO 37 Cb -0.11 -3.29 -0.26 0.00 0.04 0.00 0.00 34.50 30.88 1i17 s PRO 37 CO 0.34 -0.11 0.84 0.22 0.04 0.00 0.00 177.00 178.33 1i17 h ASP 38 N 5.80 0.28 -4.23 6.66 3.58 -1.48 -3.48 116.42 123.55 1i17 h ASP 38 Ca -0.43 -0.42 -0.45 0.00 0.42 0.00 0.00 57.03 56.15 1i17 h ASP 38 Cb 1.21 -0.09 -0.14 0.00 1.72 0.00 0.00 39.33 42.03 1i17 h ASP 38 CO 0.76 1.35 -0.55 -0.83 -2.88 0.00 0.00 179.24 177.09 1i17 s GLY 39 N -4.99 2.18 -0.04 -0.78 0.00 -0.73 -4.99 107.32 97.95 1i17 s GLY 39 Ca -0.08 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 42.95 1i17 s GLY 39 CO 0.84 -1.66 -0.00 -0.42 0.00 0.00 0.00 173.10 171.85 1i17 s ILE 40 N -3.49 0.27 -0.77 0.90 1.01 -1.26 -0.74 121.20 117.13 1i17 s ILE 40 Ca 0.33 0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.81 1i17 s ILE 40 Cb 0.05 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1i17 s ILE 40 CO 0.17 0.20 1.78 -0.47 0.00 0.00 0.00 174.94 176.62 1i17 s TYR 41 N 1.37 1.87 -0.19 3.97 5.04 0.07 -4.92 117.35 124.55 1i17 s TYR 41 Ca -0.05 0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 54.92 1i17 s TYR 41 Cb -0.13 -4.19 0.06 0.00 0.35 0.00 0.00 41.96 38.04 1i17 s TYR 41 CO -0.02 -2.05 0.49 -0.47 -1.34 0.00 0.00 175.55 172.16 1i17 s TYR 42 N 8.66 -0.64 -0.54 4.97 5.04 -1.26 -0.32 117.35 133.25 1i17 s TYR 42 Ca 0.62 1.42 0.04 0.00 -2.44 0.00 0.00 57.07 56.72 1i17 s TYR 42 Cb -0.09 0.28 0.17 0.00 0.35 0.00 0.00 41.96 42.67 1i17 s TYR 42 CO 0.09 -0.33 0.41 -1.21 -1.34 0.00 0.00 175.55 173.17 1i17 s GLU 43 N 0.91 1.60 0.34 4.97 2.02 -1.26 -4.96 118.70 122.32 1i17 s GLU 43 Ca -0.05 -2.65 0.13 0.00 0.02 0.00 0.00 54.97 52.42 1i17 s GLU 43 Cb -0.06 -2.32 0.62 0.00 0.10 0.00 0.00 34.13 32.47 1i17 s GLU 43 CO -0.08 -1.34 1.75 0.78 0.02 0.00 0.00 175.26 176.40 1i17 h GLY 44 N 5.56 0.00 -4.99 -1.39 0.00 -1.99 -3.45 103.07 96.81 1i17 h GLY 44 Ca 0.21 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.99 1i17 h GLY 44 CO 0.53 0.00 1.01 0.00 0.00 0.00 0.00 176.54 178.08 1i17 n SER 46 N 4.80 -0.48 -3.83 0.00 2.88 -1.26 -5.16 113.62 110.57 1i17 n SER 46 Ca 0.18 0.48 -0.09 0.00 -1.33 0.00 0.00 58.87 58.10 1i17 n SER 46 Cb 0.34 0.66 -0.07 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.90 0.64 -1.46 -1.05 -1.26 -5.07 118.70 109.40 1i17 s GLU 47 Ca 0.00 -0.93 0.32 0.00 -0.15 0.00 0.00 54.97 54.21 1i17 s GLU 47 Cb 0.00 0.37 1.78 0.00 -0.44 0.00 0.00 34.13 35.84 1i17 s GLU 47 CO 0.00 -0.30 2.06 0.00 0.95 0.00 0.00 175.26 177.97 1i17 h ALA 48 N 2.67 1.50 -0.04 -0.84 0.00 -2.02 -0.57 119.26 119.96 1i17 h ALA 48 Ca -0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1i17 h ALA 48 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1i17 h ALA 48 CO 0.54 -0.30 -0.18 -0.91 0.00 0.00 0.00 179.25 178.40 1i17 h ASN 49 N 0.00 0.06 -2.79 0.00 2.35 -1.98 -3.42 115.58 109.80 1i17 h ASN 49 Ca 0.05 -0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.26 1i17 h ASN 49 Cb 0.54 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.92 1i17 h ASN 49 CO -0.00 0.25 0.91 -0.69 -1.65 0.00 0.00 177.43 176.25 1i17 s VAL 50 N -4.64 3.08 0.35 2.81 1.01 -0.22 -5.03 120.40 117.75 1i17 s VAL 50 Ca -0.04 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1i17 s VAL 50 Cb 0.16 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1i17 s VAL 50 CO 0.71 0.02 0.19 -0.89 0.00 0.00 0.00 175.10 175.13 1i17 s THR 51 N 2.08 3.10 0.10 3.92 2.01 -1.26 -4.95 115.64 120.65 1i17 s THR 51 Ca 0.70 -1.60 -0.23 0.00 0.31 0.00 0.00 61.69 60.88 1i17 s THR 51 Cb -0.39 -3.03 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 1i17 s THR 51 CO 0.31 -0.16 1.72 0.50 -0.69 0.00 0.00 174.62 176.29 1i17 h LYS 52 N 1.44 -0.08 -0.70 4.92 3.64 -1.98 -0.50 116.57 123.32 1i17 h LYS 52 Ca -0.44 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1i17 h LYS 52 Cb 1.25 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.00 1i17 h LYS 52 CO 0.62 -0.05 0.24 0.93 -2.27 0.00 0.00 179.45 178.92 1i17 h GLU 53 N -0.08 0.37 0.40 1.90 5.08 -1.99 -0.05 114.58 120.20 1i17 h GLU 53 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1i17 h GLU 53 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1i17 h GLU 53 CO -0.07 0.24 -0.28 0.52 -1.00 0.00 0.00 179.01 178.43 1i17 h MET 54 N 0.38 -0.64 0.18 2.33 2.86 -1.90 -2.90 114.93 115.24 1i17 h MET 54 Ca 0.38 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1i17 h MET 54 Cb 0.56 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1i17 h MET 54 CO -0.40 -0.43 -0.14 1.25 1.06 0.00 0.00 176.91 178.25 1i17 h LEU 55 N -0.66 -0.36 -0.21 1.22 6.46 -0.33 -0.70 115.31 120.73 1i17 h LEU 55 Ca -0.04 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1i17 h LEU 55 Cb 0.56 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1i17 h LEU 55 CO 0.02 -0.22 0.06 0.58 -0.62 0.00 0.00 178.44 178.26 1i17 h VAL 56 N -0.33 0.93 -0.06 1.05 2.07 -1.13 0.14 116.25 118.92 1i17 h VAL 56 Ca -0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1i17 h VAL 56 Cb 0.30 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1i17 h VAL 56 CO -0.01 0.03 -0.04 0.74 0.02 0.00 0.00 177.57 178.31 1i17 h THR 57 N 0.15 0.89 -0.93 2.57 2.02 -1.47 -1.99 112.91 114.15 1i17 h THR 57 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1i17 h THR 57 Cb 0.07 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1i17 h THR 57 CO -0.11 0.00 0.55 0.28 0.37 0.00 0.00 175.52 176.62 1i17 h SER 58 N -0.04 1.12 -0.10 4.18 0.02 -0.85 -1.90 113.55 115.99 1i17 h SER 58 Ca 0.04 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1i17 h SER 58 Cb 0.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1i17 h SER 58 CO -0.08 0.86 0.02 0.00 -1.14 0.00 0.00 176.83 176.49 1i17 h VAL 60 N 0.06 0.74 -0.45 0.00 2.07 -1.15 0.39 116.25 117.90 1i17 h VAL 60 Ca 0.04 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1i17 h VAL 60 Cb 0.04 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1i17 h VAL 60 CO -0.06 0.01 0.25 0.78 0.02 0.00 0.00 177.57 178.56 1i17 h ASN 61 N 0.04 0.38 -0.26 0.57 2.35 -1.14 -1.25 115.58 116.27 1i17 h ASN 61 Ca 0.14 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i17 h ASN 61 Cb 0.20 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1i17 h ASN 61 CO -0.27 0.27 0.16 0.00 -1.65 0.00 0.00 177.43 175.94 1i17 h ALA 62 N 1.22 0.34 -0.33 -0.83 0.00 -0.47 -2.34 119.26 116.85 1i17 h ALA 62 Ca 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1i17 h ALA 62 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1i17 h ALA 62 CO -0.11 -0.16 0.06 1.15 0.00 0.00 0.00 179.25 180.19 1i17 h THR 63 N 0.33 0.83 -0.01 0.00 2.02 -0.71 0.11 112.91 115.47 1i17 h THR 63 Ca 0.09 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1i17 h THR 63 Cb 0.02 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1i17 h THR 63 CO -0.02 0.03 -0.53 1.56 0.37 0.00 0.00 175.52 176.93 1i17 h GLN 64 N 0.17 -0.63 -0.77 6.66 4.20 -1.16 -2.03 115.11 121.55 1i17 h GLN 64 Ca 0.16 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1i17 h GLN 64 Cb 0.18 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1i17 h GLN 64 CO -0.21 -0.42 0.44 0.00 -0.67 0.00 0.00 178.83 177.97 1i17 h ALA 65 N -0.44 1.07 -0.34 3.87 0.00 -1.10 -2.91 119.26 119.41 1i17 h ALA 65 Ca 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1i17 h ALA 65 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i17 h ALA 65 CO -0.36 0.11 -0.19 0.00 0.00 0.00 0.00 179.25 178.81 1i17 h ALA 66 N 1.41 0.48 -0.77 0.00 0.00 -0.88 -3.36 119.26 116.13 1i17 h ALA 66 Ca 0.36 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1i17 h ALA 66 Cb 0.26 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 17.56 1i17 h ALA 66 CO -0.21 0.42 -0.46 0.09 0.00 0.00 0.00 179.25 179.09 1i17 n ASN 67 N -4.31 5.32 -0.17 0.00 3.02 -0.77 -4.86 115.26 113.50 1i17 n ASN 67 Ca -0.03 -3.76 -0.02 0.00 -0.03 0.00 0.00 54.58 50.75 1i17 n ASN 67 Cb 0.41 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.08 0.13 -0.34 3.52 4.20 -1.68 -2.66 115.11 120.36 1i17 h GLN 68 Ca 0.40 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.16 1i17 h GLN 68 Cb 1.39 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.09 1i17 h GLN 68 CO 0.90 0.08 0.02 0.00 -0.67 0.00 0.00 178.83 179.16 1i17 h ALA 69 N 1.46 0.32 0.19 3.87 0.00 -1.90 -0.94 119.26 122.27 1i17 h ALA 69 Ca 0.27 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1i17 h ALA 69 Cb 0.40 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1i17 h ALA 69 CO -0.43 -0.38 -0.36 0.93 0.00 0.00 0.00 179.25 179.01 1i17 h GLU 70 N 0.13 -0.61 0.06 0.00 4.39 -1.89 -1.31 114.58 115.34 1i17 h GLU 70 Ca 0.16 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1i17 h GLU 70 Cb 0.21 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1i17 h GLU 70 CO -0.25 -0.41 -0.09 0.74 -1.16 0.00 0.00 179.01 177.84 1i17 h PHE 71 N -0.64 -0.24 -0.25 4.33 0.04 -1.46 -2.53 116.94 116.19 1i17 h PHE 71 Ca 0.01 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1i17 h PHE 71 Cb 0.64 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 1i17 h PHE 71 CO -0.28 -0.15 -0.03 0.77 -0.60 0.00 0.00 178.31 178.02 1i17 h SER 72 N -0.19 -0.17 0.12 2.17 0.02 -1.04 -0.47 113.55 113.98 1i17 h SER 72 Ca 0.02 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1i17 h SER 72 Cb 0.20 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1i17 h SER 72 CO -0.05 -0.05 -0.06 0.03 -1.14 0.00 0.00 176.83 175.55 1i17 h ARG 73 N 0.03 -0.16 0.70 3.45 3.08 -1.25 -3.34 114.38 116.89 1i17 h ARG 73 Ca 0.12 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1i17 h ARG 73 Cb 0.17 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1i17 h ARG 73 CO -0.23 -0.11 -0.33 0.93 -1.07 0.00 0.00 179.97 179.15 1i17 h GLU 74 N -0.17 -0.90 -0.76 0.04 4.39 -1.31 -3.39 114.58 112.47 1i17 h GLU 74 Ca -0.01 0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.89 1i17 h GLU 74 Cb 0.14 0.20 -0.14 0.00 -0.10 0.00 0.00 28.75 28.85 1i17 h GLU 74 CO 0.02 -0.60 -0.23 1.17 -1.16 0.00 0.00 179.01 178.21 1i17 n LYS 75 N -5.39 -0.11 0.33 2.33 4.81 -0.20 -0.45 118.16 119.49 1i17 n LYS 75 Ca -0.12 1.18 0.23 0.00 -0.87 0.00 0.00 58.31 58.73 1i17 n LYS 75 Cb 0.37 -1.77 1.20 0.00 0.02 0.00 0.00 35.03 34.85 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 0.00 0.00 1.64 1.08 -1.76 -3.33 115.11 112.74 1i17 h GLN 76 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1i17 h GLN 76 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1i17 h GLN 76 CO -0.78 0.00 -0.48 -3.47 -0.95 0.00 0.00 178.83 173.15 1i17 n ASP 77 N -3.06 0.90 -2.52 1.46 2.03 -0.81 -4.94 116.55 109.62 1i17 n ASP 77 Ca -0.03 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.07 1i17 n ASP 77 Cb 0.08 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.37 1i17 n ASP 77 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1i17 n SER 78 N -2.39 6.27 -0.02 1.67 2.88 0.40 -4.73 113.62 117.70 1i17 n SER 78 Ca 0.00 -2.47 -0.10 0.00 -1.33 0.00 0.00 58.87 54.97 1i17 n SER 78 Cb 0.24 -1.41 -0.04 0.00 -0.75 0.00 0.00 64.21 62.26 1i17 n SER 78 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1i17 h LYS 79 N 3.95 0.15 -0.53 -1.46 1.57 -1.81 -2.25 116.57 116.19 1i17 h LYS 79 Ca 0.43 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1i17 h LYS 79 Cb 0.98 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1i17 h LYS 79 CO 0.83 0.10 0.33 1.25 -0.57 0.00 0.00 179.45 181.39 1i17 h LEU 80 N 0.15 0.56 -0.22 2.94 5.85 -1.95 -2.99 115.31 119.65 1i17 h LEU 80 Ca 0.06 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1i17 h LEU 80 Cb 0.02 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 1i17 h LEU 80 CO -0.05 0.40 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.49 1i17 h HIS 81 N 0.67 -0.59 -0.31 1.25 2.76 -1.84 -2.28 115.15 114.81 1i17 h HIS 81 Ca 0.20 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 1i17 h HIS 81 Cb -0.03 0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.15 1i17 h HIS 81 CO -0.05 -0.30 -0.30 1.96 -1.30 0.00 0.00 177.93 177.93 1i17 h GLN 82 N -0.24 -0.27 -0.05 5.26 1.08 -1.31 0.11 115.11 119.69 1i17 h GLN 82 Ca 0.13 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.38 1i17 h GLN 82 Cb 0.44 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 1i17 h GLN 82 CO -0.36 -0.18 -0.39 -0.09 -0.95 0.00 0.00 178.83 176.86 1i17 h ARG 83 N -0.28 -0.49 -0.02 1.46 2.43 -1.34 0.14 114.38 116.28 1i17 h ARG 83 Ca 0.15 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1i17 h ARG 83 Cb 0.52 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1i17 h ARG 83 CO -0.47 -0.33 -0.04 0.28 -1.51 0.00 0.00 179.97 177.90 1i17 h VAL 84 N -0.51 0.88 -0.21 0.20 2.07 -1.19 -2.03 116.25 115.44 1i17 h VAL 84 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1i17 h VAL 84 Cb 0.62 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1i17 h VAL 84 CO -0.33 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.43 1i17 h LEU 85 N -0.07 -0.26 -0.61 2.57 5.85 -0.61 -1.76 115.31 120.42 1i17 h LEU 85 Ca 0.03 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1i17 h LEU 85 Cb 0.11 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1i17 h LEU 85 CO -0.06 -0.10 0.37 -0.50 -0.34 0.00 0.00 178.44 177.80 1i17 h TRP 86 N -0.04 0.80 -0.57 1.25 4.06 -0.90 0.60 115.95 121.15 1i17 h TRP 86 Ca 0.11 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.13 1i17 h TRP 86 Cb 0.20 -0.26 -0.06 0.00 -1.00 0.00 0.00 29.16 28.04 1i17 h TRP 86 CO -0.25 0.54 0.26 -0.09 -3.56 0.00 0.00 178.44 175.34 1i17 h ARG 87 N 0.82 0.47 -0.02 0.49 9.65 -1.11 -0.22 114.38 124.45 1i17 h ARG 87 Ca 0.22 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1i17 h ARG 87 Cb -0.03 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1i17 h ARG 87 CO -0.04 0.31 0.01 1.25 2.80 0.00 0.00 179.97 184.29 1i17 h LEU 88 N 0.48 0.03 -0.53 3.80 5.85 -1.09 -1.62 115.31 122.23 1i17 h LEU 88 Ca 0.27 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1i17 h LEU 88 Cb 0.25 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1i17 h LEU 88 CO -0.23 0.25 -0.08 0.40 -0.34 0.00 0.00 178.44 178.44 1i17 h ILE 89 N -0.18 0.51 -0.34 4.05 2.04 -0.67 -0.79 117.51 122.12 1i17 h ILE 89 Ca 0.01 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1i17 h ILE 89 Cb 0.23 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1i17 h ILE 89 CO 0.00 0.01 0.11 0.50 0.00 0.00 0.00 178.15 178.76 1i17 h LYS 90 N 0.04 0.24 -0.39 2.37 3.64 -1.02 0.19 116.57 121.64 1i17 h LYS 90 Ca 0.26 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1i17 h LYS 90 Cb 0.40 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1i17 h LYS 90 CO -0.51 0.16 -0.14 1.49 -2.27 0.00 0.00 179.45 178.18 1i17 h GLU 91 N 0.24 -0.06 0.13 1.90 4.57 -0.35 0.98 114.58 122.00 1i17 h GLU 91 Ca 0.15 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1i17 h GLU 91 Cb 0.14 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1i17 h GLU 91 CO -0.17 -0.04 -0.14 0.82 -1.18 0.00 0.00 179.01 178.30 1i17 h ILE 92 N -0.06 0.68 -0.52 2.32 2.04 -0.89 -0.79 117.51 120.28 1i17 h ILE 92 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1i17 h ILE 92 Cb 0.35 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1i17 h ILE 92 CO -0.43 0.00 0.23 0.00 0.00 0.00 0.00 178.15 177.95 1i17 h SER 94 N 0.45 0.98 0.13 0.00 0.02 -0.72 -3.28 113.55 111.12 1i17 h SER 94 Ca 0.24 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1i17 h SER 94 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1i17 h SER 94 CO -0.20 0.73 -0.06 0.00 -1.14 0.00 0.00 176.83 176.16 1i17 h ALA 95 N 1.44 -0.17 -2.31 3.77 0.00 -0.49 -3.43 119.26 118.07 1i17 h ALA 95 Ca 0.30 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.53 1i17 h ALA 95 Cb -0.09 0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i17 h ALA 95 CO -0.06 -0.47 1.26 0.36 0.00 0.00 0.00 179.25 180.33 1i17 n LYS 96 N -5.05 2.78 -4.47 0.00 2.85 -0.90 -4.99 118.16 108.39 1i17 n LYS 96 Ca -0.09 1.01 -0.20 0.00 -1.05 0.00 0.00 58.31 57.98 1i17 n LYS 96 Cb 0.18 -3.03 -0.14 0.00 -0.65 0.00 0.00 35.03 31.40 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 4.80 1.12 0.00 5.58 -3.43 -1.26 -4.97 115.29 117.12 1i17 s HIS 97 Ca 0.90 -0.26 -0.26 0.00 -0.80 0.00 0.00 55.06 54.64 1i17 s HIS 97 Cb -0.43 -0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 29.98 1i17 s HIS 97 CO 0.42 -0.00 0.83 0.00 -2.00 0.00 0.00 174.74 173.98 1i17 h ASP 99 N 6.34 1.01 0.64 0.00 3.58 -2.02 -2.91 116.42 123.05 1i17 h ASP 99 Ca -0.42 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1i17 h ASP 99 Cb 1.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1i17 h ASP 99 CO 0.74 0.71 0.00 2.22 -2.88 0.00 0.00 179.24 180.02 1i17 n PHE 100 N -4.43 0.73 -1.70 0.28 1.16 -1.26 -4.88 117.46 107.37 1i17 n PHE 100 Ca 0.12 0.30 -0.44 0.00 -1.87 0.00 0.00 57.45 55.55 1i17 n PHE 100 Cb 0.07 -0.98 -0.04 0.00 -1.61 0.00 0.00 39.48 36.93 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 -2.17 2.55 -4.04 2.97 8.01 -1.10 -4.85 117.44 118.80 1i17 n TRP 101 Ca 0.02 0.13 -0.10 0.00 -1.31 0.00 0.00 57.50 56.24 1i17 n TRP 101 Cb 0.20 -2.62 -0.07 0.00 -2.01 0.00 0.00 31.31 26.81 1i17 n TRP 101 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 1i17 s LEU 102 N 1.11 0.80 -0.90 -0.99 0.05 -1.26 -5.10 118.68 112.40 1i17 s LEU 102 Ca 0.77 -1.03 -0.24 0.00 0.05 0.00 0.00 54.13 53.67 1i17 s LEU 102 Cb -0.58 1.17 0.01 0.00 -2.05 0.00 0.00 46.19 44.74 1i17 s LEU 102 CO 0.35 -0.96 1.59 -1.61 -0.55 0.00 0.00 176.35 175.16 1i17 s GLU 103 N -4.04 3.16 0.67 1.48 2.02 -1.26 -5.01 118.70 115.73 1i17 s GLU 103 Ca 0.25 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.51 1i17 s GLU 103 Cb 0.03 -4.97 0.01 0.00 0.10 0.00 0.00 34.13 29.30 1i17 s GLU 103 CO 0.06 -2.55 1.16 1.03 0.02 0.00 0.00 175.26 174.99 1i17 s ARG 104 N 5.84 2.59 -0.03 1.61 0.52 -1.26 -5.08 118.95 123.15 1i17 s ARG 104 Ca 0.52 1.61 0.01 0.00 -0.52 0.00 0.00 55.73 57.34 1i17 s ARG 104 Cb -0.04 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1i17 s ARG 104 CO 0.00 -1.45 -0.01 0.20 0.02 0.00 0.00 175.30 174.06 1i17 s GLY 105 N -2.18 0.25 0.02 -3.53 0.00 -1.26 -5.16 107.32 95.45 1i17 s GLY 105 Ca 0.72 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 45.43 1i17 s GLY 105 CO 0.41 0.49 0.24 0.00 0.00 0.00 0.00 173.10 174.25 1i17 s ALA 106 N 0.87 -0.55 -2.00 3.20 0.00 -1.26 -5.31 121.76 116.71 1i17 s ALA 106 Ca -0.09 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 51.96 1i17 s ALA 106 Cb -0.12 0.20 0.59 0.00 0.00 0.00 0.00 23.12 23.79 1i17 s ALA 106 CO -0.01 -0.31 1.04 0.00 0.00 0.00 0.00 175.76 176.47