#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 2.02 -0.91 5.15 0.11 -1.26 -4.96 120.40 120.55 1i17 s VAL 2 Ca 0.00 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 1i17 s VAL 2 Cb 0.00 -3.01 0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1i17 s VAL 2 CO 0.00 0.00 1.38 0.00 -3.33 0.00 0.00 175.10 173.16 1i17 s ALA 3 N -0.10 2.73 0.08 1.54 0.00 -1.26 -4.84 121.76 119.91 1i17 s ALA 3 Ca 0.63 -1.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 1i17 s ALA 3 Cb -0.48 -4.42 -0.21 0.00 0.00 0.00 0.00 23.12 18.01 1i17 s ALA 3 CO 0.50 -3.49 1.21 1.05 0.00 0.00 0.00 175.76 175.03 1i17 h GLU 4 N 9.89 0.67 -3.28 0.00 4.11 -2.00 -3.35 114.58 120.62 1i17 h GLU 4 Ca 0.01 -0.71 -0.68 0.00 0.07 0.00 0.00 59.36 58.05 1i17 h GLU 4 Cb 1.03 0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1i17 h GLU 4 CO 1.37 1.30 3.66 -1.71 0.07 0.00 0.00 179.01 183.70 1i17 n ASN 5 N -3.84 7.39 -4.92 3.06 4.05 -1.26 -4.82 115.26 114.91 1i17 n ASN 5 Ca -0.10 -2.65 -0.27 0.00 0.45 0.00 0.00 54.58 52.01 1i17 n ASN 5 Cb 0.87 -1.59 -0.03 0.00 1.23 0.00 0.00 39.78 40.27 1i17 n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i17 s ARG 6 N 2.47 3.55 -0.29 1.20 1.70 -1.26 -4.99 118.95 121.33 1i17 s ARG 6 Ca 0.63 -0.21 -0.40 0.00 -0.47 0.00 0.00 55.73 55.29 1i17 s ARG 6 Cb 0.17 -2.72 -0.15 0.00 -0.57 0.00 0.00 34.95 31.68 1i17 s ARG 6 CO -0.07 0.26 1.81 -2.30 -1.08 0.00 0.00 175.30 173.92 1i17 n PRO 7 N -1.07 1.13 0.00 3.89 -0.02 -1.26 -1.44 135.00 136.24 1i17 n PRO 7 Ca -0.04 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1i17 n PRO 7 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 4.56 2.11 3.73 -1.23 0.00 0.61 -4.58 105.19 110.39 1i17 n GLY 8 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.26 2.45 -1.74 4.61 0.00 -0.52 -4.18 120.51 120.88 1i17 n ALA 9 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.45 1i17 n ALA 9 Cb 0.00 -2.46 0.06 0.00 0.00 0.00 0.00 19.45 17.06 1i17 n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i17 s PHE 10 N 0.21 2.12 -0.43 0.00 0.08 -1.26 -0.68 117.98 118.01 1i17 s PHE 10 Ca 0.67 1.45 0.02 0.00 0.12 0.00 0.00 56.93 59.19 1i17 s PHE 10 Cb -0.51 -3.73 0.12 0.00 -0.57 0.00 0.00 43.02 38.32 1i17 s PHE 10 CO 0.46 -2.96 0.18 0.42 -0.10 0.00 0.00 175.22 173.22 1i17 s ILE 11 N -1.36 2.72 -1.17 0.64 1.01 0.03 -4.76 121.20 118.31 1i17 s ILE 11 Ca 0.80 -2.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1i17 s ILE 11 Cb -0.39 -2.91 0.22 0.00 0.01 0.00 0.00 42.46 39.39 1i17 s ILE 11 CO 0.42 -0.70 1.29 0.29 0.00 0.00 0.00 174.94 176.24 1i17 n LYS 12 N 3.92 3.46 0.13 2.79 5.02 -1.26 -1.01 118.16 131.22 1i17 n LYS 12 Ca 0.04 -4.14 -0.02 0.00 -2.02 0.00 0.00 58.31 52.17 1i17 n LYS 12 Cb 0.39 -2.81 0.15 0.00 -0.02 0.00 0.00 35.03 32.74 1i17 n LYS 12 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1i17 h GLN 13 N 6.87 0.00 -0.31 1.97 4.20 -1.94 -3.48 115.11 122.43 1i17 h GLN 13 Ca 0.25 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 1i17 h GLN 13 Cb 0.87 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1i17 h GLN 13 CO 1.14 0.64 -0.09 0.41 -0.67 0.00 0.00 178.83 180.27 1i17 n GLY 14 N 0.33 0.61 3.74 3.46 0.00 -1.26 -5.03 105.19 107.04 1i17 n GLY 14 Ca -0.01 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.79 4.46 -0.74 1.61 3.52 -1.26 -4.42 118.95 119.33 1i17 s ARG 15 Ca 0.00 1.97 -0.26 0.00 -0.13 0.00 0.00 55.73 57.31 1i17 s ARG 15 Cb 0.00 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1i17 s ARG 15 CO 0.00 -0.12 1.45 0.21 -0.81 0.00 0.00 175.30 176.03 1i17 s LYS 16 N -0.54 3.08 1.08 5.12 2.20 -1.26 -4.89 119.74 124.52 1i17 s LYS 16 Ca 0.53 -0.12 -0.17 0.00 -0.36 0.00 0.00 55.97 55.84 1i17 s LYS 16 Cb -0.35 -4.36 0.24 0.00 -1.51 0.00 0.00 37.83 31.85 1i17 s LYS 16 CO 0.40 -2.33 1.19 -0.51 -0.36 0.00 0.00 175.35 173.75 1i17 s LEU 17 N 6.57 1.62 -0.39 5.43 1.43 -1.26 -5.08 118.68 127.00 1i17 s LEU 17 Ca 0.44 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1i17 s LEU 17 Cb -0.08 -2.46 0.12 0.00 0.03 0.00 0.00 46.19 43.80 1i17 s LEU 17 CO 0.14 -3.41 0.16 -0.62 0.23 0.00 0.00 176.35 172.85 1i17 s ASP 18 N -4.28 4.08 -0.04 2.29 2.15 -1.26 -5.04 116.67 114.56 1i17 s ASP 18 Ca 0.71 -2.28 0.01 0.00 0.43 0.00 0.00 52.55 51.42 1i17 s ASP 18 Cb -0.08 -1.18 0.02 0.00 -0.30 0.00 0.00 42.92 41.38 1i17 s ASP 18 CO 0.55 -0.33 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.55 1i17 s ILE 19 N 0.76 0.46 -1.11 4.11 1.01 -1.26 -5.09 121.20 120.07 1i17 s ILE 19 Ca 0.14 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 1i17 s ILE 19 Cb -0.21 -0.49 0.13 0.00 0.01 0.00 0.00 42.46 41.89 1i17 s ILE 19 CO -0.09 0.20 1.38 -0.62 0.00 0.00 0.00 174.94 175.82 1i17 s ASP 20 N 0.88 6.84 0.19 3.58 2.15 -1.26 -4.82 116.67 124.22 1i17 s ASP 20 Ca -0.11 -2.45 -0.11 0.00 0.43 0.00 0.00 52.55 50.30 1i17 s ASP 20 Cb -0.14 -2.44 0.11 0.00 -0.30 0.00 0.00 42.92 40.14 1i17 s ASP 20 CO -0.00 -0.99 1.78 -0.26 -0.17 0.00 0.00 175.17 175.53 1i17 h PHE 21 N 8.02 0.94 0.00 -5.34 0.04 -1.98 -3.50 116.94 115.12 1i17 h PHE 21 Ca 0.27 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1i17 h PHE 21 Cb 0.93 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1i17 h PHE 21 CO 1.19 0.69 0.00 0.41 -0.60 0.00 0.00 178.31 180.00 1i17 n GLY 22 N -0.99 3.42 0.37 -1.45 0.00 -1.26 -4.85 105.19 100.43 1i17 n GLY 22 Ca 0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.01 0.25 4.61 0.00 -1.99 0.18 119.26 122.31 1i17 h ALA 23 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1i17 h ALA 23 Cb 0.00 0.91 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1i17 h ALA 23 CO 0.00 -0.68 -0.12 0.93 0.00 0.00 0.00 179.25 179.38 1i17 h GLU 24 N -0.10 -0.33 -0.41 0.00 5.08 -2.00 -2.95 114.58 113.87 1i17 h GLU 24 Ca 0.27 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1i17 h GLU 24 Cb 0.57 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1i17 h GLU 24 CO -0.81 -0.18 -0.19 0.78 -1.00 0.00 0.00 179.01 177.61 1i17 h GLY 25 N -0.40 0.86 0.73 -3.84 0.00 -1.65 -1.38 103.07 97.40 1i17 h GLY 25 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.59 1i17 h GLY 25 CO 0.06 0.66 -0.16 3.43 0.00 0.00 0.00 176.54 180.52 1i17 h ASN 26 N 0.70 -0.45 -0.35 0.19 2.35 -0.75 0.38 115.58 117.65 1i17 h ASN 26 Ca 0.10 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1i17 h ASN 26 Cb 0.70 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1i17 h ASN 26 CO 0.05 -0.24 0.21 0.03 -1.65 0.00 0.00 177.43 175.83 1i17 h ARG 27 N -0.32 0.41 0.52 0.81 3.08 -1.42 -1.38 114.38 116.08 1i17 h ARG 27 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1i17 h ARG 27 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1i17 h ARG 27 CO -0.09 0.27 -0.28 -0.92 -1.07 0.00 0.00 179.97 177.89 1i17 h TYR 28 N 0.42 -0.73 -0.09 3.04 3.20 -1.10 -2.95 116.97 118.76 1i17 h TYR 28 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1i17 h TYR 28 Cb -0.01 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1i17 h TYR 28 CO -0.07 -0.44 -0.08 -0.92 -1.64 0.00 0.00 178.16 175.01 1i17 h TYR 29 N -0.74 -0.19 -0.96 -3.82 3.20 -0.90 -1.01 116.97 112.54 1i17 h TYR 29 Ca -0.07 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.08 1i17 h TYR 29 Cb 0.59 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1i17 h TYR 29 CO -0.06 -0.12 0.67 0.00 -1.64 0.00 0.00 178.16 177.01 1i17 h ALA 30 N 0.97 2.75 0.00 1.82 0.00 -1.26 0.76 119.26 124.30 1i17 h ALA 30 Ca 0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1i17 h ALA 30 Cb 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1i17 h ALA 30 CO -0.15 -1.04 -1.51 0.00 0.00 0.00 0.00 179.25 176.56 1i17 n ALA 31 N -2.67 2.21 -0.33 0.00 0.00 -0.97 -4.68 120.51 114.06 1i17 n ALA 31 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1i17 n ALA 31 Cb 0.97 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1i17 n ALA 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i17 n ASN 32 N -2.70 1.19 -0.38 0.00 3.02 -0.42 -4.88 115.26 111.09 1i17 n ASN 32 Ca -0.08 -1.53 0.31 0.00 -0.03 0.00 0.00 54.58 53.25 1i17 n ASN 32 Cb 0.74 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 40.53 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 0.44 -0.97 3.10 -0.00 -1.13 -1.94 116.97 116.47 1i17 h TYR 33 Ca 0.00 0.02 0.24 0.00 -0.00 0.00 0.00 58.73 58.98 1i17 h TYR 33 Cb 0.56 -0.12 -0.07 0.00 -0.00 0.00 0.00 36.73 37.09 1i17 h TYR 33 CO 0.00 -0.04 0.64 0.11 -0.00 0.00 0.00 178.16 178.87 1i17 h TRP 34 N 0.19 0.54 -0.41 0.10 5.08 -1.87 -2.40 115.95 117.18 1i17 h TRP 34 Ca 0.68 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.51 1i17 h TRP 34 Cb 2.12 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 28.11 1i17 h TRP 34 CO -0.00 0.10 -0.33 1.96 -1.28 0.00 0.00 178.44 178.89 1i17 h GLN 35 N 0.37 0.95 -7.21 0.12 4.20 -1.72 -3.42 115.11 108.40 1i17 h GLN 35 Ca 0.52 -0.48 -0.51 0.00 0.06 0.00 0.00 58.65 58.25 1i17 h GLN 35 Cb 1.37 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.26 1i17 h GLN 35 CO -0.21 1.14 0.37 -0.06 -0.67 0.00 0.00 178.83 179.40 1i17 s PHE 36 N -4.48 2.57 0.35 2.96 0.40 -0.90 -5.04 117.98 113.84 1i17 s PHE 36 Ca -0.11 1.56 -0.27 0.00 -0.60 0.00 0.00 56.93 57.51 1i17 s PHE 36 Cb 0.11 -3.18 -0.09 0.00 0.51 0.00 0.00 43.02 40.37 1i17 s PHE 36 CO 0.88 -1.77 1.11 -1.25 0.70 0.00 0.00 175.22 174.89 1i17 s PRO 37 N -4.15 4.33 -0.16 0.24 0.04 -1.26 -4.37 135.00 129.67 1i17 s PRO 37 Ca 0.67 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.47 1i17 s PRO 37 Cb -0.21 -2.85 -0.23 0.00 0.04 0.00 0.00 34.50 31.26 1i17 s PRO 37 CO 0.43 -0.05 0.20 -3.47 0.04 0.00 0.00 177.00 174.15 1i17 n ASP 38 N 0.49 1.55 -3.88 6.66 2.03 -0.18 -4.98 116.55 118.25 1i17 n ASP 38 Ca 0.02 0.11 -0.21 0.00 0.52 0.00 0.00 54.79 55.23 1i17 n ASP 38 Cb 0.47 -0.31 -0.09 0.00 -0.72 0.00 0.00 41.12 40.47 1i17 n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1i17 s GLY 39 N -5.77 2.31 -0.06 0.27 0.00 -0.84 -4.99 107.32 98.24 1i17 s GLY 39 Ca -0.21 -1.66 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 1i17 s GLY 39 CO 0.74 -1.64 -0.02 -0.42 0.00 0.00 0.00 173.10 171.76 1i17 s ILE 40 N -3.43 0.44 -0.98 0.90 1.01 -1.26 -0.79 121.20 117.10 1i17 s ILE 40 Ca 0.33 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 1i17 s ILE 40 Cb 0.04 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1i17 s ILE 40 CO 0.19 0.24 1.84 -0.47 0.00 0.00 0.00 174.94 176.74 1i17 s TYR 41 N 1.48 2.01 -0.14 3.97 5.04 0.14 -4.90 117.35 124.95 1i17 s TYR 41 Ca -0.02 0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.75 1i17 s TYR 41 Cb -0.13 -4.20 0.05 0.00 0.35 0.00 0.00 41.96 38.03 1i17 s TYR 41 CO -0.03 -1.72 0.33 -0.47 -1.34 0.00 0.00 175.55 172.32 1i17 s TYR 42 N 8.93 -0.46 -0.53 4.97 5.04 -1.26 -0.28 117.35 133.75 1i17 s TYR 42 Ca 0.64 1.03 0.07 0.00 -2.44 0.00 0.00 57.07 56.37 1i17 s TYR 42 Cb -0.04 0.16 0.25 0.00 0.35 0.00 0.00 41.96 42.67 1i17 s TYR 42 CO -0.01 -0.28 0.64 0.39 -1.34 0.00 0.00 175.55 174.96 1i17 n GLU 43 N 4.11 1.71 0.15 4.97 1.02 -1.26 -4.96 120.64 126.38 1i17 n GLU 43 Ca -0.23 -4.04 0.04 0.00 -0.02 0.00 0.00 57.16 52.91 1i17 n GLU 43 Cb 0.54 -1.81 0.45 0.00 -0.02 0.00 0.00 31.44 30.61 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 4.15 0.19 -7.02 0.62 0.00 -1.99 -3.44 103.07 95.59 1i17 h GLY 44 Ca 0.15 -0.10 -0.62 0.00 0.00 0.00 0.00 47.33 46.75 1i17 h GLY 44 CO 0.67 0.10 1.48 0.00 0.00 0.00 0.00 176.54 178.78 1i17 n SER 46 N 11.13 0.46 -3.77 0.00 7.64 -1.26 -5.14 113.62 122.68 1i17 n SER 46 Ca 0.36 0.15 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 1i17 n SER 46 Cb 0.35 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.88 0.56 1.43 -1.05 -1.26 -5.07 118.70 112.19 1i17 s GLU 47 Ca 0.00 -0.74 0.29 0.00 -0.15 0.00 0.00 54.97 54.36 1i17 s GLU 47 Cb 0.00 0.37 1.47 0.00 -0.44 0.00 0.00 34.13 35.53 1i17 s GLU 47 CO 0.00 -0.30 1.93 0.00 0.95 0.00 0.00 175.26 177.84 1i17 h ALA 48 N 2.85 2.40 0.00 -0.84 0.00 -1.93 -0.81 119.26 120.93 1i17 h ALA 48 Ca -0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1i17 h ALA 48 Cb 1.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1i17 h ALA 48 CO 0.50 -0.78 -0.19 -0.91 0.00 0.00 0.00 179.25 177.87 1i17 h ASN 49 N 0.00 0.00 -2.53 0.00 2.35 -1.89 -3.41 115.58 110.10 1i17 h ASN 49 Ca 0.27 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.46 1i17 h ASN 49 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1i17 h ASN 49 CO -0.00 0.19 1.21 -0.69 -1.65 0.00 0.00 177.43 176.49 1i17 s VAL 50 N -4.33 3.43 0.71 2.81 1.01 -0.31 -4.99 120.40 118.73 1i17 s VAL 50 Ca -0.03 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1i17 s VAL 50 Cb 0.14 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 33.19 1i17 s VAL 50 CO 0.65 -0.16 1.00 0.42 0.00 0.00 0.00 175.10 177.01 1i17 s THR 51 N 5.53 2.28 0.06 3.92 -4.23 -1.26 -4.93 115.64 117.00 1i17 s THR 51 Ca 0.80 -0.41 -0.26 0.00 -1.18 0.00 0.00 61.69 60.65 1i17 s THR 51 Cb -0.31 -2.88 -0.17 0.00 1.34 0.00 0.00 72.50 70.49 1i17 s THR 51 CO 0.33 0.00 1.57 0.50 -0.54 0.00 0.00 174.62 176.48 1i17 h LYS 52 N -0.57 -0.24 -1.01 3.99 3.64 -1.95 -1.27 116.57 119.15 1i17 h LYS 52 Ca -0.42 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.11 1i17 h LYS 52 Cb 1.29 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 33.08 1i17 h LYS 52 CO 0.51 -0.07 0.63 1.05 -2.27 0.00 0.00 179.45 179.30 1i17 h GLU 53 N -0.37 0.95 0.69 1.90 4.11 -1.99 -0.19 114.58 119.68 1i17 h GLU 53 Ca -0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 1i17 h GLU 53 Cb 0.29 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1i17 h GLU 53 CO 0.04 0.63 -0.42 0.52 0.07 0.00 0.00 179.01 179.85 1i17 h MET 54 N 0.98 -1.01 0.27 1.06 2.86 -1.93 -2.97 114.93 114.18 1i17 h MET 54 Ca 0.51 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 58.21 1i17 h MET 54 Cb 0.52 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1i17 h MET 54 CO -0.28 -0.67 -0.15 1.25 1.06 0.00 0.00 176.91 178.12 1i17 h LEU 55 N -1.05 -0.38 -0.40 1.22 6.46 -0.46 -0.56 115.31 120.14 1i17 h LEU 55 Ca -0.09 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1i17 h LEU 55 Cb 0.85 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1i17 h LEU 55 CO 0.09 -0.25 0.16 0.58 -0.62 0.00 0.00 178.44 178.40 1i17 h VAL 56 N -0.40 0.91 -0.21 1.05 2.07 -1.19 0.10 116.25 118.59 1i17 h VAL 56 Ca -0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1i17 h VAL 56 Cb 0.33 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1i17 h VAL 56 CO 0.04 0.06 0.09 0.74 0.02 0.00 0.00 177.57 178.52 1i17 h THR 57 N 0.34 1.15 -0.78 2.57 2.02 -1.48 -2.85 112.91 113.88 1i17 h THR 57 Ca 0.18 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1i17 h THR 57 Cb 0.14 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1i17 h THR 57 CO -0.16 0.15 0.51 0.28 0.37 0.00 0.00 175.52 176.67 1i17 h SER 58 N 0.20 0.86 -0.10 4.18 0.02 -0.72 -2.22 113.55 115.78 1i17 h SER 58 Ca 0.07 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1i17 h SER 58 Cb 0.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1i17 h SER 58 CO -0.01 0.60 -0.04 0.00 -1.14 0.00 0.00 176.83 176.25 1i17 h VAL 60 N -0.02 0.75 -0.50 0.00 2.07 -1.25 0.36 116.25 117.65 1i17 h VAL 60 Ca 0.05 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1i17 h VAL 60 Cb 0.10 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1i17 h VAL 60 CO -0.11 0.00 0.28 0.78 0.02 0.00 0.00 177.57 178.54 1i17 h ASN 61 N 0.02 0.43 -0.15 0.57 2.35 -1.19 -1.08 115.58 116.54 1i17 h ASN 61 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1i17 h ASN 61 Cb 0.19 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1i17 h ASN 61 CO -0.26 0.30 0.09 0.00 -1.65 0.00 0.00 177.43 175.91 1i17 h ALA 62 N 1.24 0.19 -0.33 -0.83 0.00 -0.48 -2.42 119.26 116.64 1i17 h ALA 62 Ca 0.21 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1i17 h ALA 62 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1i17 h ALA 62 CO -0.12 -0.29 -0.03 1.15 0.00 0.00 0.00 179.25 179.95 1i17 h THR 63 N 0.16 0.72 -0.01 0.00 2.02 -0.68 -0.09 112.91 115.04 1i17 h THR 63 Ca 0.05 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1i17 h THR 63 Cb 0.04 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1i17 h THR 63 CO -0.01 0.01 -0.47 1.56 0.37 0.00 0.00 175.52 176.98 1i17 h GLN 64 N 0.05 -0.59 -0.99 6.66 4.20 -1.16 -1.60 115.11 121.68 1i17 h GLN 64 Ca 0.16 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.97 1i17 h GLN 64 Cb 0.23 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1i17 h GLN 64 CO -0.30 -0.39 0.64 0.00 -0.67 0.00 0.00 178.83 178.11 1i17 h ALA 65 N -0.18 1.41 -0.09 3.87 0.00 -1.04 -2.97 119.26 120.26 1i17 h ALA 65 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1i17 h ALA 65 Cb 0.69 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1i17 h ALA 65 CO -0.34 0.45 -0.73 0.00 0.00 0.00 0.00 179.25 178.62 1i17 h ALA 66 N 1.46 0.21 -0.73 0.00 0.00 -0.89 -3.38 119.26 115.93 1i17 h ALA 66 Ca 0.42 -0.59 -0.51 0.00 0.00 0.00 0.00 54.91 54.23 1i17 h ALA 66 Cb 0.15 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.61 1i17 h ALA 66 CO -0.16 0.55 -0.30 0.09 0.00 0.00 0.00 179.25 179.43 1i17 n ASN 67 N -4.04 5.16 -0.08 0.00 3.02 -0.62 -4.84 115.26 113.86 1i17 n ASN 67 Ca -0.09 -3.77 -0.07 0.00 -0.03 0.00 0.00 54.58 50.62 1i17 n ASN 67 Cb 0.72 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.94 -0.17 -0.54 3.52 4.20 -1.71 -2.52 115.11 119.83 1i17 h GLN 68 Ca 0.40 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.20 1i17 h GLN 68 Cb 1.36 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.12 1i17 h GLN 68 CO 0.89 -0.12 0.19 0.00 -0.67 0.00 0.00 178.83 179.12 1i17 h ALA 69 N 0.98 0.67 -0.02 3.87 0.00 -1.91 -0.27 119.26 122.58 1i17 h ALA 69 Ca 0.16 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1i17 h ALA 69 Cb 0.43 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1i17 h ALA 69 CO -0.42 -0.21 -0.17 0.93 0.00 0.00 0.00 179.25 179.37 1i17 h GLU 70 N 0.37 -0.26 0.56 0.00 4.39 -1.86 -1.39 114.58 116.39 1i17 h GLU 70 Ca 0.26 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1i17 h GLU 70 Cb 0.30 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1i17 h GLU 70 CO -0.27 -0.18 -0.27 0.74 -1.16 0.00 0.00 179.01 177.87 1i17 h PHE 71 N -0.27 -0.70 -0.38 4.33 0.04 -1.27 -3.04 116.94 115.65 1i17 h PHE 71 Ca 0.06 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.88 1i17 h PHE 71 Cb 0.35 0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.67 1i17 h PHE 71 CO -0.23 -0.41 -0.01 0.77 -0.60 0.00 0.00 178.31 177.82 1i17 h SER 72 N -0.80 -0.18 -0.08 2.17 0.02 -0.98 0.48 113.55 114.18 1i17 h SER 72 Ca -0.08 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1i17 h SER 72 Cb 0.60 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1i17 h SER 72 CO 0.13 -0.05 -0.13 0.03 -1.14 0.00 0.00 176.83 175.67 1i17 h ARG 73 N 0.09 -0.17 0.40 3.45 3.08 -1.34 -3.29 114.38 116.60 1i17 h ARG 73 Ca 0.19 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1i17 h ARG 73 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1i17 h ARG 73 CO -0.32 -0.12 -0.19 0.93 -1.07 0.00 0.00 179.97 179.20 1i17 h GLU 74 N -0.18 -0.52 -1.15 0.04 4.39 -1.37 -3.39 114.58 112.40 1i17 h GLU 74 Ca 0.07 0.04 0.36 0.00 0.34 0.00 0.00 59.36 60.16 1i17 h GLU 74 Cb 0.28 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.92 1i17 h GLU 74 CO -0.18 -0.35 0.72 -0.22 -1.16 0.00 0.00 179.01 177.81 1i17 h LYS 75 N -0.78 0.23 -0.41 2.33 3.64 -1.00 0.17 116.57 120.74 1i17 h LYS 75 Ca -0.06 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1i17 h LYS 75 Cb 0.41 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1i17 h LYS 75 CO 0.09 0.15 0.36 1.96 -2.27 0.00 0.00 179.45 179.74 1i17 h GLN 76 N 0.23 0.00 0.00 1.90 1.08 -1.75 -3.37 115.11 113.20 1i17 h GLN 76 Ca 0.73 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.93 1i17 h GLN 76 Cb 2.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1i17 h GLN 76 CO -0.44 0.00 -0.16 -3.47 -0.95 0.00 0.00 178.83 173.80 1i17 n ASP 77 N -4.02 0.66 -4.18 1.46 2.03 -0.45 -5.02 116.55 107.03 1i17 n ASP 77 Ca 0.07 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.98 1i17 n ASP 77 Cb 0.55 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.66 3.86 0.16 1.67 2.88 0.47 -4.87 113.62 116.14 1i17 n SER 78 Ca 0.00 -2.81 -0.08 0.00 -1.33 0.00 0.00 58.87 54.65 1i17 n SER 78 Cb 0.08 -1.61 -0.04 0.00 -0.75 0.00 0.00 64.21 61.89 1i17 n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1i17 h LYS 79 N 7.60 -0.46 -0.82 -1.46 3.64 -1.85 -3.22 116.57 119.99 1i17 h LYS 79 Ca 0.43 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.82 1i17 h LYS 79 Cb 0.78 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1i17 h LYS 79 CO 1.62 -0.31 0.40 1.25 -2.27 0.00 0.00 179.45 180.14 1i17 h LEU 80 N -0.48 1.08 -0.49 5.20 5.85 -2.00 -3.22 115.31 121.25 1i17 h LEU 80 Ca -0.04 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1i17 h LEU 80 Cb 0.40 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1i17 h LEU 80 CO 0.01 0.91 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.22 1i17 h HIS 81 N 1.17 -0.14 -0.27 1.25 2.76 -1.98 -2.48 115.15 115.46 1i17 h HIS 81 Ca 0.28 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.56 1i17 h HIS 81 Cb 0.12 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.14 1i17 h HIS 81 CO 0.01 -0.16 -0.28 1.96 -1.30 0.00 0.00 177.93 178.16 1i17 h GLN 82 N 0.05 -0.27 -0.27 5.26 1.08 -1.57 0.89 115.11 120.29 1i17 h GLN 82 Ca 0.24 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.52 1i17 h GLN 82 Cb 0.37 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 1i17 h GLN 82 CO -0.46 -0.18 -0.35 0.00 -0.95 0.00 0.00 178.83 176.89 1i17 h ARG 83 N -0.28 -0.33 0.16 1.46 3.08 -1.58 -0.07 114.38 116.82 1i17 h ARG 83 Ca 0.14 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1i17 h ARG 83 Cb 0.50 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1i17 h ARG 83 CO -0.43 -0.22 -0.08 0.28 -1.07 0.00 0.00 179.97 178.45 1i17 h VAL 84 N -0.34 0.89 -0.14 2.04 2.07 -1.34 -2.55 116.25 116.88 1i17 h VAL 84 Ca 0.13 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1i17 h VAL 84 Cb 0.56 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1i17 h VAL 84 CO -0.46 0.05 -0.07 0.25 0.02 0.00 0.00 177.57 177.36 1i17 h LEU 85 N -0.32 -0.24 -0.75 2.57 5.85 -0.60 -0.86 115.31 120.97 1i17 h LEU 85 Ca -0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1i17 h LEU 85 Cb 0.25 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1i17 h LEU 85 CO 0.04 -0.10 0.45 -0.50 -0.34 0.00 0.00 178.44 177.99 1i17 h TRP 86 N -0.06 0.98 -0.25 1.25 4.06 -1.06 0.12 115.95 121.00 1i17 h TRP 86 Ca 0.08 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.07 1i17 h TRP 86 Cb 0.18 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 27.98 1i17 h TRP 86 CO -0.21 0.66 0.01 -0.09 -3.56 0.00 0.00 178.44 175.25 1i17 h ARG 87 N 1.02 0.09 -0.04 0.49 9.65 -1.20 -0.61 114.38 123.79 1i17 h ARG 87 Ca 0.27 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.16 1i17 h ARG 87 Cb -0.04 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1i17 h ARG 87 CO -0.05 0.06 -0.08 1.25 2.80 0.00 0.00 179.97 183.95 1i17 h LEU 88 N 0.10 -0.23 -0.53 3.80 6.46 -0.74 -0.02 115.31 124.15 1i17 h LEU 88 Ca 0.12 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1i17 h LEU 88 Cb 0.14 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.09 1i17 h LEU 88 CO -0.19 -0.11 -0.05 0.40 -0.62 0.00 0.00 178.44 177.87 1i17 h ILE 89 N -0.11 0.53 -0.33 4.05 2.04 -0.87 -1.00 117.51 121.81 1i17 h ILE 89 Ca 0.05 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1i17 h ILE 89 Cb 0.17 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1i17 h ILE 89 CO -0.11 0.01 0.19 0.50 0.00 0.00 0.00 178.15 178.75 1i17 h LYS 90 N 0.07 0.39 -0.60 2.37 3.64 -0.69 0.75 116.57 122.49 1i17 h LYS 90 Ca 0.27 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1i17 h LYS 90 Cb 0.41 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1i17 h LYS 90 CO -0.49 0.26 0.21 0.93 -2.27 0.00 0.00 179.45 178.09 1i17 h GLU 91 N 0.40 0.36 0.70 1.90 4.39 -0.46 0.62 114.58 122.49 1i17 h GLU 91 Ca 0.13 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1i17 h GLU 91 Cb 0.00 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1i17 h GLU 91 CO -0.06 0.24 -0.33 0.82 -1.16 0.00 0.00 179.01 178.51 1i17 h ILE 92 N 0.37 0.28 -0.23 3.13 2.04 -0.90 -3.01 117.51 119.19 1i17 h ILE 92 Ca 0.31 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.11 1i17 h ILE 92 Cb 0.40 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1i17 h ILE 92 CO -0.32 0.01 0.04 0.00 0.00 0.00 0.00 178.15 177.88 1i17 h SER 94 N 0.13 0.00 0.55 0.00 4.64 -0.97 -2.08 113.55 115.82 1i17 h SER 94 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1i17 h SER 94 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1i17 h SER 94 CO -0.15 0.02 -0.39 0.00 -0.87 0.00 0.00 176.83 175.44 1i17 h ALA 95 N 1.98 1.18 -2.28 5.18 0.00 -1.33 -3.45 119.26 120.54 1i17 h ALA 95 Ca -0.00 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 1i17 h ALA 95 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i17 h ALA 95 CO 0.00 0.49 1.20 0.15 0.00 0.00 0.00 179.25 181.10 1i17 s LYS 96 N -3.91 4.07 -0.00 0.00 1.02 -0.78 -5.00 119.74 115.13 1i17 s LYS 96 Ca -0.02 2.39 0.04 0.00 0.02 0.00 0.00 55.97 58.40 1i17 s LYS 96 Cb 0.13 -4.12 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 1i17 s LYS 96 CO 0.71 -1.02 -0.12 -3.38 -0.92 0.00 0.00 175.35 170.62 1i17 s HIS 97 N 4.63 1.09 -0.13 3.18 -3.43 -1.26 -4.88 115.29 114.49 1i17 s HIS 97 Ca 0.84 -0.22 -0.11 0.00 -0.80 0.00 0.00 55.06 54.76 1i17 s HIS 97 Cb -0.38 -0.69 -0.05 0.00 -1.43 0.00 0.00 32.58 30.03 1i17 s HIS 97 CO 0.37 -0.01 0.24 0.00 -2.00 0.00 0.00 174.74 173.33 1i17 h ASP 99 N 5.84 0.96 0.65 0.00 3.58 -2.01 -2.93 116.42 122.52 1i17 h ASP 99 Ca -0.47 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1i17 h ASP 99 Cb 1.19 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1i17 h ASP 99 CO 0.68 0.64 0.00 2.22 -2.88 0.00 0.00 179.24 179.90 1i17 n PHE 100 N -4.46 0.73 -1.78 0.28 1.16 -1.26 -4.90 117.46 107.23 1i17 n PHE 100 Ca 0.13 0.29 -0.41 0.00 -1.87 0.00 0.00 57.45 55.59 1i17 n PHE 100 Cb 0.14 -0.97 -0.01 0.00 -1.61 0.00 0.00 39.48 37.03 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 -3.30 2.62 0.07 2.97 0.51 -1.11 -4.88 118.94 115.82 1i17 s TRP 101 Ca 0.04 1.03 0.00 0.00 -2.12 0.00 0.00 56.10 55.05 1i17 s TRP 101 Cb 0.09 -4.06 -0.00 0.00 -0.81 0.00 0.00 33.47 28.69 1i17 s TRP 101 CO 0.36 -3.25 0.09 1.47 -0.51 0.00 0.00 176.95 175.11 1i17 n LEU 102 N 1.00 0.00 0.31 2.99 -0.00 -1.26 -5.07 117.00 114.97 1i17 n LEU 102 Ca 0.03 -0.63 0.20 0.00 -0.00 0.00 0.00 56.01 55.61 1i17 n LEU 102 Cb 0.38 0.48 0.95 0.00 -0.00 0.00 0.00 43.42 45.23 1i17 n LEU 102 CO 0.64 -0.13 1.09 -0.33 -0.00 0.00 0.00 177.39 178.66 1i17 h GLU 103 N 0.00 0.00 0.00 1.47 5.08 -2.00 -3.45 114.58 115.67 1i17 h GLU 103 Ca -0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.01 1i17 h GLU 103 Cb 0.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 1i17 h GLU 103 CO 0.08 0.00 -0.28 0.54 -1.00 0.00 0.00 179.01 178.35 1i17 n ARG 104 N -3.09 0.40 0.00 2.33 5.12 -1.26 -5.19 116.66 114.97 1i17 n ARG 104 Ca -0.01 -1.99 0.00 0.00 -1.93 0.00 0.00 57.85 53.92 1i17 n ARG 104 Cb 0.19 1.45 0.00 0.00 -1.16 0.00 0.00 32.46 32.94 1i17 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i17 n GLY 105 N -0.10 -0.55 3.77 -0.13 0.00 -1.26 -4.86 105.19 102.06 1i17 n GLY 105 Ca 0.02 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.83 3.49 0.00 4.61 0.00 -1.26 -4.80 121.76 119.96 1i17 s ALA 106 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1i17 s ALA 106 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1i17 s ALA 106 CO 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 175.76 174.90