#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5i n GLY 5 N 0.00 -1.11 3.22 0.23 0.00 -1.26 -5.11 105.19 101.16 1l5i n GLY 5 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1l5i n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l5i s ARG 6 N -4.46 0.96 -0.66 1.61 0.52 -1.26 -5.10 118.95 110.57 1l5i s ARG 6 Ca 0.39 -1.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.04 1l5i s ARG 6 Cb -0.01 -0.62 0.02 0.00 0.52 0.00 0.00 34.95 34.86 1l5i s ARG 6 CO 0.27 0.09 1.31 0.12 0.02 0.00 0.00 175.30 177.11 1l5i s PHE 7 N -2.77 2.34 -0.16 -0.53 5.36 -1.26 -4.96 117.98 115.99 1l5i s PHE 7 Ca 0.11 0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1l5i s PHE 7 Cb -0.01 -4.53 0.05 0.00 -0.34 0.00 0.00 43.02 38.19 1l5i s PHE 7 CO 0.01 -1.94 -0.00 0.45 -1.46 0.00 0.00 175.22 172.28 1l5i s SER 8 N 3.85 2.68 -0.14 6.13 0.15 -1.26 -4.21 113.70 120.90 1l5i s SER 8 Ca 0.42 -0.65 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 1l5i s SER 8 Cb -0.08 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1l5i s SER 8 CO 0.20 -0.24 0.00 -0.63 1.20 0.00 0.00 173.24 173.77 1l5i s ILE 9 N 1.78 4.29 -0.17 6.45 1.01 -1.14 -4.91 121.20 128.52 1l5i s ILE 9 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1l5i s ILE 9 Cb -0.16 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1l5i s ILE 9 CO -0.07 0.53 0.03 -0.54 0.00 0.00 0.00 174.94 174.88 1l5i s LYS 10 N -0.10 0.67 0.15 2.79 1.02 -1.26 0.97 119.74 123.98 1l5i s LYS 10 Ca 0.04 -0.33 -0.24 0.00 0.02 0.00 0.00 55.97 55.46 1l5i s LYS 10 Cb -0.13 -1.91 0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1l5i s LYS 10 CO 0.02 -0.58 0.73 0.00 -0.92 0.00 0.00 175.35 174.61 1l5i s ALA 11 N 1.87 -1.58 0.06 5.17 0.00 -0.92 -4.96 121.76 121.41 1l5i s ALA 11 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 1l5i s ALA 11 Cb -0.16 0.74 -0.26 0.00 0.00 0.00 0.00 23.12 23.44 1l5i s ALA 11 CO -0.07 -0.84 1.07 -0.22 0.00 0.00 0.00 175.76 175.69 1l5i h LYS 12 N 2.00 0.18 -6.52 0.00 3.64 -1.83 0.17 116.57 114.21 1l5i h LYS 12 Ca -0.27 -0.31 -0.68 0.00 -1.27 0.00 0.00 60.65 58.12 1l5i h LYS 12 Cb 1.27 0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 33.01 1l5i h LYS 12 CO 0.32 1.09 -0.77 -0.80 -2.27 0.00 0.00 179.45 177.02 1l5i s ASN 13 N -6.93 4.10 0.02 4.20 0.01 -1.26 -0.35 114.94 114.73 1l5i s ASN 13 Ca -0.04 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.78 1l5i s ASN 13 Cb 0.08 -0.75 -0.02 0.00 0.41 0.00 0.00 41.25 40.97 1l5i s ASN 13 CO 0.86 0.24 -0.11 -0.31 -1.51 0.00 0.00 177.10 176.27 1l5i s TYR 14 N -1.00 0.97 -0.17 2.20 2.02 0.11 -1.34 117.35 120.13 1l5i s TYR 14 Ca 0.17 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1l5i s TYR 14 Cb -0.11 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1l5i s TYR 14 CO 0.08 -0.00 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.79 1l5i s PHE 15 N -0.68 2.73 -0.14 2.71 0.08 0.97 -1.60 117.98 122.04 1l5i s PHE 15 Ca 0.00 -1.54 -0.05 0.00 0.12 0.00 0.00 56.93 55.46 1l5i s PHE 15 Cb -0.06 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1l5i s PHE 15 CO 0.00 -0.74 0.04 -0.51 -0.10 0.00 0.00 175.22 173.92 1l5i s LEU 16 N 1.13 3.74 -0.17 -0.37 2.01 -0.55 -1.53 118.68 122.94 1l5i s LEU 16 Ca 0.01 0.11 0.01 0.00 0.01 0.00 0.00 54.13 54.27 1l5i s LEU 16 Cb -0.14 -1.91 0.03 0.00 0.01 0.00 0.00 46.19 44.18 1l5i s LEU 16 CO -0.09 0.26 -0.13 -0.89 1.01 0.00 0.00 176.35 176.50 1l5i s THR 17 N -0.14 1.64 -0.45 5.49 2.01 -1.01 -1.92 115.64 121.28 1l5i s THR 17 Ca 0.06 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1l5i s THR 17 Cb -0.12 -1.60 0.10 0.00 0.01 0.00 0.00 72.50 70.89 1l5i s THR 17 CO 0.01 0.36 0.31 -0.31 -0.69 0.00 0.00 174.62 174.30 1l5i s TYR 18 N 1.43 3.38 0.21 4.92 1.51 -0.92 -1.62 117.35 126.27 1l5i s TYR 18 Ca 0.03 -1.69 -0.30 0.00 -1.01 0.00 0.00 57.07 54.09 1l5i s TYR 18 Cb -0.14 -3.24 -0.08 0.00 -0.11 0.00 0.00 41.96 38.39 1l5i s TYR 18 CO -0.10 -0.92 1.10 -1.25 -1.11 0.00 0.00 175.55 173.27 1l5i s PRO 19 N 1.40 4.61 -1.66 -1.71 0.04 -1.26 -2.33 135.00 134.07 1l5i s PRO 19 Ca 0.04 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1l5i s PRO 19 Cb -0.25 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO 0.01 0.11 0.32 1.17 0.04 0.00 0.00 177.00 178.65 1l5i n LYS 20 N 2.02 -0.82 -3.68 4.56 4.81 -0.36 -4.86 118.16 119.83 1l5i n LYS 20 Ca 0.02 0.11 -0.37 0.00 -0.87 0.00 0.00 58.31 57.20 1l5i n LYS 20 Cb 0.46 -4.03 -0.11 0.00 0.02 0.00 0.00 35.03 31.36 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1l5i n ASP 22 N 4.85 1.84 -4.74 0.00 -0.08 -1.26 -4.46 116.55 112.69 1l5i n ASP 22 Ca -0.15 -2.12 -0.41 0.00 -1.51 0.00 0.00 54.79 50.60 1l5i n ASP 22 Cb 0.52 -0.32 -0.03 0.00 2.34 0.00 0.00 41.12 43.62 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1l5i s LEU 23 N -0.97 4.44 0.58 -2.67 2.96 -1.26 -5.02 118.68 116.74 1l5i s LEU 23 Ca 0.17 2.35 -0.05 0.00 -0.22 0.00 0.00 54.13 56.38 1l5i s LEU 23 Cb 0.11 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1l5i s LEU 23 CO 0.09 -0.43 0.89 0.42 -1.32 0.00 0.00 176.35 176.00 1l5i s THR 24 N -0.18 3.63 0.25 3.68 -4.23 -1.26 -4.95 115.64 112.58 1l5i s THR 24 Ca 0.53 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 61.16 1l5i s THR 24 Cb -0.35 -3.44 0.09 0.00 1.34 0.00 0.00 72.50 70.14 1l5i s THR 24 CO 0.39 -0.44 1.74 0.07 -0.54 0.00 0.00 174.62 175.84 1l5i h LYS 25 N -0.15 0.00 -0.09 3.99 -0.00 -1.96 -1.07 116.57 117.29 1l5i h LYS 25 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.18 1l5i h LYS 25 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1l5i h LYS 25 CO 0.60 0.43 0.00 0.93 -0.00 0.00 0.00 179.45 181.42 1l5i h GLU 26 N 0.00 0.16 -0.32 0.07 5.08 -1.97 1.37 114.58 118.97 1l5i h GLU 26 Ca -0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1l5i h GLU 26 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1l5i h GLU 26 CO 0.06 0.41 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.51 1l5i h ASN 27 N -0.11 0.60 -0.00 1.42 -0.26 -1.93 0.25 115.58 115.54 1l5i h ASN 27 Ca 0.03 -0.35 -0.10 0.00 -0.56 0.00 0.00 56.30 55.32 1l5i h ASN 27 Cb 0.34 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1l5i h ASN 27 CO 0.00 0.81 -0.28 0.00 -1.06 0.00 0.00 177.43 176.91 1l5i h ALA 28 N 0.81 1.12 -0.25 -0.83 0.00 -1.14 0.38 119.26 119.34 1l5i h ALA 28 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1l5i h ALA 28 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1l5i h ALA 28 CO 0.03 0.55 -0.17 1.25 0.00 0.00 0.00 179.25 180.91 1l5i h LEU 29 N 0.38 0.58 -0.24 0.00 7.12 0.21 0.68 115.31 124.04 1l5i h LEU 29 Ca 0.05 -0.43 -0.06 0.00 0.13 0.00 0.00 57.88 57.57 1l5i h LEU 29 Cb 0.68 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1l5i h LEU 29 CO 0.05 0.89 -0.08 0.28 -0.13 0.00 0.00 178.44 179.45 1l5i h SER 30 N 0.28 0.49 -0.15 1.25 0.02 -0.26 0.70 113.55 115.88 1l5i h SER 30 Ca 0.05 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1l5i h SER 30 Cb 0.69 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1l5i h SER 30 CO 0.05 0.77 0.00 1.56 -1.14 0.00 0.00 176.83 178.07 1l5i h GLN 31 N 0.21 0.27 -0.30 3.45 4.20 -0.23 0.44 115.11 123.16 1l5i h GLN 31 Ca 0.06 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1l5i h GLN 31 Cb 0.57 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1l5i h GLN 31 CO 0.03 0.49 0.06 0.82 -0.67 0.00 0.00 178.83 179.56 1l5i h ILE 32 N 0.02 1.22 -0.74 2.54 1.08 0.39 0.47 117.51 122.49 1l5i h ILE 32 Ca 0.04 -0.76 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1l5i h ILE 32 Cb 0.37 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1l5i h ILE 32 CO 0.01 0.25 0.33 0.74 -0.69 0.00 0.00 178.15 178.79 1l5i h THR 33 N 0.31 1.24 -0.00 -0.27 2.02 0.49 -0.32 112.91 116.38 1l5i h THR 33 Ca 0.09 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1l5i h THR 33 Cb 0.31 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1l5i h THR 33 CO 0.00 0.29 -0.06 0.59 0.37 0.00 0.00 175.52 176.72 1l5i n ASN 34 N -4.31 0.07 -4.65 4.18 5.03 0.15 -4.76 115.26 110.98 1l5i n ASN 34 Ca 0.07 0.31 -0.43 0.00 0.87 0.00 0.00 54.58 55.40 1l5i n ASN 34 Cb 0.15 -0.38 -0.02 0.00 -1.02 0.00 0.00 39.78 38.51 1l5i n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1l5i s LEU 35 N -2.93 4.11 0.63 3.41 1.02 0.16 -5.01 118.68 120.08 1l5i s LEU 35 Ca 0.16 1.63 -0.09 0.00 0.02 0.00 0.00 54.13 55.84 1l5i s LEU 35 Cb 0.19 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.85 1l5i s LEU 35 CO 0.54 -0.86 1.00 -1.58 0.02 0.00 0.00 176.35 175.46 1l5i s GLN 36 N 3.74 3.16 0.08 1.70 -0.44 -1.26 -4.95 119.66 121.68 1l5i s GLN 36 Ca 0.57 0.41 -0.09 0.00 -2.50 0.00 0.00 55.36 53.75 1l5i s GLN 36 Cb -0.22 -2.13 -0.00 0.00 -1.64 0.00 0.00 33.01 29.02 1l5i s GLN 36 CO 0.18 -0.74 0.19 -0.08 0.50 0.00 0.00 175.29 175.34 1l5i s THR 37 N -3.16 0.14 -1.59 -0.34 -1.32 -1.26 -5.02 115.64 103.09 1l5i s THR 37 Ca 0.55 -1.13 0.23 0.00 -1.21 0.00 0.00 61.69 60.13 1l5i s THR 37 Cb -0.11 -1.25 0.47 0.00 -1.51 0.00 0.00 72.50 70.11 1l5i s THR 37 CO 0.50 -0.62 1.76 -0.81 -2.21 0.00 0.00 174.62 173.23 1l5i n PRO 38 N 0.10 0.44 0.00 7.08 -0.04 -1.26 -4.59 135.00 136.73 1l5i n PRO 38 Ca -0.16 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1l5i n PRO 38 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1l5i n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 39 N -1.21 0.00 -3.63 0.52 5.66 -1.26 -5.11 114.28 109.25 1l5i n THR 39 Ca 0.13 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.04 1l5i n THR 39 Cb 0.15 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.87 1l5i n THR 39 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l5i s ASN 40 N 0.64 -0.37 -0.25 1.09 2.47 -1.26 -4.99 114.94 112.26 1l5i s ASN 40 Ca 0.00 0.69 -0.19 0.00 0.42 0.00 0.00 52.86 53.78 1l5i s ASN 40 Cb 0.00 0.69 -0.02 0.00 -1.45 0.00 0.00 41.25 40.47 1l5i s ASN 40 CO 0.00 -0.15 0.58 -0.54 -3.72 0.00 0.00 177.10 173.27 1l5i s LYS 41 N 0.05 4.10 -0.17 0.43 1.02 -1.26 -1.81 119.74 122.11 1l5i s LYS 41 Ca 0.03 0.46 -0.13 0.00 0.02 0.00 0.00 55.97 56.35 1l5i s LYS 41 Cb -0.05 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.55 1l5i s LYS 41 CO -0.07 -0.36 -0.15 -0.11 -0.92 0.00 0.00 175.35 173.73 1l5i n LEU 42 N 5.55 1.85 -4.10 3.17 7.94 -0.48 -4.89 117.00 126.04 1l5i n LEU 42 Ca -0.02 0.53 -0.09 0.00 -1.11 0.00 0.00 56.01 55.32 1l5i n LEU 42 Cb 0.49 -0.86 -0.10 0.00 0.53 0.00 0.00 43.42 43.48 1l5i n LEU 42 CO 0.42 -0.25 -0.37 0.12 -1.11 0.00 0.00 177.39 176.20 1l5i s PHE 43 N -2.40 0.62 -0.05 1.96 5.36 -1.05 -1.90 117.98 120.51 1l5i s PHE 43 Ca -0.21 -0.95 -0.01 0.00 -0.96 0.00 0.00 56.93 54.80 1l5i s PHE 43 Cb 0.04 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.33 1l5i s PHE 43 CO 0.34 -0.28 0.02 0.42 -1.46 0.00 0.00 175.22 174.27 1l5i s ILE 44 N -3.48 0.15 -0.17 3.12 1.01 0.16 -2.18 121.20 119.81 1l5i s ILE 44 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1l5i s ILE 44 Cb 0.05 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1l5i s ILE 44 CO -0.07 0.21 -0.11 -0.75 0.00 0.00 0.00 174.94 174.22 1l5i s LYS 45 N 1.91 3.32 -0.15 2.79 2.47 0.13 -0.30 119.74 129.91 1l5i s LYS 45 Ca 0.03 -0.68 -0.01 0.00 -1.56 0.00 0.00 55.97 53.75 1l5i s LYS 45 Cb -0.12 -2.77 0.04 0.00 -1.46 0.00 0.00 37.83 33.52 1l5i s LYS 45 CO -0.04 -0.01 -0.05 0.42 0.16 0.00 0.00 175.35 175.84 1l5i s ILE 46 N 0.92 1.02 -0.02 5.43 1.01 -0.90 0.59 121.20 129.25 1l5i s ILE 46 Ca -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1l5i s ILE 46 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1l5i s ILE 46 CO -0.00 0.17 -0.12 0.00 0.00 0.00 0.00 174.94 174.98 1l5i s ARG 48 N -0.01 3.59 -0.09 0.00 6.06 -1.26 0.01 118.95 127.25 1l5i s ARG 48 Ca -0.00 -0.04 -0.05 0.00 -2.50 0.00 0.00 55.73 53.13 1l5i s ARG 48 Cb -0.08 -3.10 0.04 0.00 0.06 0.00 0.00 34.95 31.87 1l5i s ARG 48 CO 0.00 0.66 0.21 -2.00 -2.50 0.00 0.00 175.30 171.68 1l5i s GLU 49 N -1.64 0.19 -0.13 5.12 2.56 -0.58 -4.92 118.70 119.30 1l5i s GLU 49 Ca 0.26 0.41 -0.10 0.00 0.00 0.00 0.00 54.97 55.54 1l5i s GLU 49 Cb -0.13 -0.05 -0.05 0.00 2.00 0.00 0.00 34.13 35.90 1l5i s GLU 49 CO 0.15 -0.12 0.21 -0.51 -0.56 0.00 0.00 175.26 174.43 1l5i s LEU 50 N 0.84 4.32 0.38 2.70 2.01 -1.26 -1.38 118.68 126.29 1l5i s LEU 50 Ca -0.06 0.49 -0.06 0.00 0.01 0.00 0.00 54.13 54.51 1l5i s LEU 50 Cb -0.07 -2.22 -0.05 0.00 0.01 0.00 0.00 46.19 43.86 1l5i s LEU 50 CO -0.05 0.27 0.68 -1.00 1.01 0.00 0.00 176.35 177.26 1l5i s HIS 51 N -0.35 3.50 -1.35 0.29 3.76 -0.96 -4.93 115.29 115.26 1l5i s HIS 51 Ca 0.15 0.77 0.26 0.00 -0.15 0.00 0.00 55.06 56.09 1l5i s HIS 51 Cb -0.13 -2.23 1.26 0.00 1.11 0.00 0.00 32.58 32.60 1l5i s HIS 51 CO 0.04 -0.04 1.86 0.39 -0.85 0.00 0.00 174.74 176.14 1l5i n GLU 52 N -1.51 0.30 0.00 1.40 1.02 -1.26 -2.36 120.64 118.23 1l5i n GLU 52 Ca -0.00 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.33 1l5i n GLU 52 Cb 0.55 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 31.13 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l5i n ASN 53 N -1.33 0.34 0.00 1.62 3.02 -1.26 -4.87 115.26 112.78 1l5i n ASN 53 Ca 0.11 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1l5i n ASN 53 Cb 0.22 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1l5i n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l5i n GLY 54 N 1.26 0.78 3.68 7.41 0.00 -0.99 -5.03 105.19 112.29 1l5i n GLY 54 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1l5i n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l5i s GLU 55 N -0.45 4.16 -0.08 1.61 4.04 -1.26 -4.94 118.70 121.78 1l5i s GLU 55 Ca 0.00 0.05 -0.30 0.00 0.04 0.00 0.00 54.97 54.76 1l5i s GLU 55 Cb 0.00 -3.51 -0.03 0.00 0.02 0.00 0.00 34.13 30.61 1l5i s GLU 55 CO 0.00 0.05 1.24 -1.25 -1.84 0.00 0.00 175.26 173.45 1l5i s PRO 56 N 1.06 4.31 0.22 -4.83 0.04 -1.26 -2.26 135.00 132.28 1l5i s PRO 56 Ca 0.15 1.69 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1l5i s PRO 56 Cb -0.14 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 1l5i s PRO 56 CO 0.06 -0.53 -0.18 -1.58 0.04 0.00 0.00 177.00 174.80 1l5i s HIS 57 N 2.62 2.39 0.01 0.56 2.46 -0.48 0.65 115.29 123.49 1l5i s HIS 57 Ca 0.56 -0.32 0.02 0.00 0.47 0.00 0.00 55.06 55.80 1l5i s HIS 57 Cb -0.24 -1.13 -0.01 0.00 -0.13 0.00 0.00 32.58 31.07 1l5i s HIS 57 CO 0.20 0.58 -0.07 -1.17 -2.47 0.00 0.00 174.74 171.81 1l5i s LEU 58 N -3.02 2.09 0.04 8.88 0.20 -0.99 -1.53 118.68 124.35 1l5i s LEU 58 Ca 0.25 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.90 1l5i s LEU 58 Cb -0.07 -0.28 -0.03 0.00 -0.43 0.00 0.00 46.19 45.38 1l5i s LEU 58 CO 0.13 -0.01 -0.20 -1.00 -0.29 0.00 0.00 176.35 174.99 1l5i s HIS 59 N -0.51 2.51 -0.04 5.38 3.76 0.10 -2.16 115.29 124.34 1l5i s HIS 59 Ca -0.01 -0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 54.58 1l5i s HIS 59 Cb -0.05 -1.45 0.02 0.00 1.11 0.00 0.00 32.58 32.21 1l5i s HIS 59 CO 0.00 0.23 0.09 0.42 -0.85 0.00 0.00 174.74 174.63 1l5i s ILE 60 N -0.90 -0.01 -0.18 0.60 1.01 -0.81 -0.84 121.20 120.07 1l5i s ILE 60 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1l5i s ILE 60 Cb -0.10 -0.14 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1l5i s ILE 60 CO 0.04 0.02 0.05 -0.22 0.00 0.00 0.00 174.94 174.83 1l5i s LEU 61 N 0.31 0.92 0.14 2.97 1.98 0.20 -1.48 118.68 123.72 1l5i s LEU 61 Ca -0.02 -0.75 0.09 0.00 -2.89 0.00 0.00 54.13 50.56 1l5i s LEU 61 Cb -0.03 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 46.29 1l5i s LEU 61 CO -0.01 -0.32 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.36 1l5i s ILE 62 N 1.94 3.01 -0.11 6.68 1.01 -0.63 0.19 121.20 133.29 1l5i s ILE 62 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.10 1l5i s ILE 62 Cb -0.17 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1l5i s ILE 62 CO -0.08 0.03 0.02 0.00 0.00 0.00 0.00 174.94 174.91 1l5i s GLN 63 N -2.37 0.56 0.34 2.79 1.03 -0.93 -0.72 119.66 120.37 1l5i s GLN 63 Ca 0.21 -0.05 -0.04 0.00 0.04 0.00 0.00 55.36 55.51 1l5i s GLN 63 Cb -0.10 -1.36 -0.05 0.00 0.03 0.00 0.00 33.01 31.54 1l5i s GLN 63 CO 0.12 -0.43 0.60 -0.06 -2.54 0.00 0.00 175.29 172.99 1l5i s PHE 64 N 1.96 3.49 0.39 9.60 0.40 0.52 -1.39 117.98 132.96 1l5i s PHE 64 Ca 0.03 0.64 0.07 0.00 -0.60 0.00 0.00 56.93 57.07 1l5i s PHE 64 Cb -0.14 -2.12 0.80 0.00 0.51 0.00 0.00 43.02 42.07 1l5i s PHE 64 CO -0.06 0.07 2.00 1.49 0.70 0.00 0.00 175.22 179.43 1l5i h GLU 65 N 1.26 0.50 -5.86 0.44 4.22 -1.66 -3.43 114.58 110.05 1l5i h GLU 65 Ca -0.48 -0.05 -0.51 0.00 0.08 0.00 0.00 59.36 58.40 1l5i h GLU 65 Cb 1.20 -0.10 -0.18 0.00 0.50 0.00 0.00 28.75 30.17 1l5i h GLU 65 CO 0.64 0.40 -0.78 0.20 -2.18 0.00 0.00 179.01 177.30 1l5i s GLY 66 N -3.76 1.37 -0.16 1.92 0.00 -1.26 -5.05 107.32 100.38 1l5i s GLY 66 Ca -0.08 -1.49 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 1l5i s GLY 66 CO 0.74 -1.55 2.15 0.28 0.00 0.00 0.00 173.10 174.72 1l5i n LYS 67 N 0.24 2.14 -3.39 2.90 5.02 -1.26 -4.68 118.16 119.13 1l5i n LYS 67 Ca -0.13 0.65 -0.37 0.00 -2.02 0.00 0.00 58.31 56.45 1l5i n LYS 67 Cb 0.57 -3.12 -0.06 0.00 -0.02 0.00 0.00 35.03 32.40 1l5i n LYS 67 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1l5i s TYR 68 N 7.20 3.69 -0.45 2.13 5.04 0.05 -4.79 117.35 130.22 1l5i s TYR 68 Ca 0.98 1.08 -0.14 0.00 -2.44 0.00 0.00 57.07 56.55 1l5i s TYR 68 Cb -0.40 -2.37 0.06 0.00 0.35 0.00 0.00 41.96 39.60 1l5i s TYR 68 CO 0.38 0.53 0.35 1.21 -1.34 0.00 0.00 175.55 176.69 1l5i s ASN 69 N -1.39 6.06 -1.02 4.32 3.04 -1.26 -2.18 114.94 122.51 1l5i s ASN 69 Ca 0.31 -1.25 -0.03 0.00 0.04 0.00 0.00 52.86 51.94 1l5i s ASN 69 Cb -0.17 -2.15 0.30 0.00 -1.54 0.00 0.00 41.25 37.69 1l5i s ASN 69 CO 0.18 -0.58 1.37 0.00 -3.04 0.00 0.00 177.10 175.03 1l5i n THR 71 N 1.29 2.69 -3.51 0.00 5.66 -1.26 -2.88 114.28 116.27 1l5i n THR 71 Ca 0.26 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.78 1l5i n THR 71 Cb 0.34 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.45 1l5i n THR 71 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l5i s ASN 72 N -0.73 -1.08 -0.25 1.09 2.47 -1.26 -4.73 114.94 110.45 1l5i s ASN 72 Ca 0.43 1.29 -0.02 0.00 0.42 0.00 0.00 52.86 54.98 1l5i s ASN 72 Cb 0.36 2.16 0.07 0.00 -1.45 0.00 0.00 41.25 42.39 1l5i s ASN 72 CO 0.08 -0.21 2.40 0.00 -3.72 0.00 0.00 177.10 175.65 1l5i n GLN 73 N 5.37 1.82 -0.00 0.43 6.02 -1.26 -3.59 117.38 126.17 1l5i n GLN 73 Ca -0.09 -1.38 0.02 0.00 -0.01 0.00 0.00 57.00 55.53 1l5i n GLN 73 Cb 0.50 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1l5i n ARG 74 N 0.97 0.09 0.07 -1.09 1.74 -1.26 -4.47 116.66 112.71 1l5i n ARG 74 Ca 0.30 -0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 57.16 1l5i n ARG 74 Cb 0.60 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 1l5i n ARG 74 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1l5i h PHE 75 N 0.00 0.91 -0.28 -1.55 3.57 -2.01 -3.12 116.94 114.46 1l5i h PHE 75 Ca -0.00 -0.53 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1l5i h PHE 75 Cb 0.14 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1l5i h PHE 75 CO 0.00 1.37 0.00 1.19 -2.23 0.00 0.00 178.31 178.64 1l5i n PHE 76 N -3.79 0.48 -1.94 0.41 3.72 -1.26 -4.85 117.46 110.23 1l5i n PHE 76 Ca -0.11 -0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 56.66 1l5i n PHE 76 Cb 0.92 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.37 1l5i n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1l5i s ASP 77 N -0.85 5.70 -0.10 4.37 1.01 -1.18 -4.47 116.67 121.15 1l5i s ASP 77 Ca 0.20 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.69 1l5i s ASP 77 Cb 0.11 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1l5i s ASP 77 CO 0.12 -1.87 -0.04 -0.76 0.21 0.00 0.00 175.17 172.82 1l5i s LEU 78 N 7.57 3.29 0.27 1.23 1.43 -0.95 -4.99 118.68 126.53 1l5i s LEU 78 Ca 0.82 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 1l5i s LEU 78 Cb -0.22 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 1l5i s LEU 78 CO 0.32 0.31 -0.06 0.68 0.23 0.00 0.00 176.35 177.83 1l5i s VAL 79 N -0.49 1.60 -0.27 -1.59 -7.23 -1.26 0.39 120.40 111.55 1l5i s VAL 79 Ca 0.08 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 1l5i s VAL 79 Cb -0.12 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 1l5i s VAL 79 CO 0.02 -0.31 0.83 -0.55 -0.31 0.00 0.00 175.10 174.78 1l5i s SER 80 N -3.43 6.79 0.00 4.85 0.15 -0.33 -4.90 113.70 116.83 1l5i s SER 80 Ca 0.29 0.92 0.23 0.00 0.70 0.00 0.00 55.95 58.09 1l5i s SER 80 Cb 0.04 -2.43 1.31 0.00 -1.71 0.00 0.00 66.02 63.22 1l5i s SER 80 CO 0.11 -0.57 1.77 -0.81 1.20 0.00 0.00 173.24 174.94 1l5i n PRO 81 N 6.13 0.58 -0.01 5.44 -0.04 -1.26 -2.52 135.00 143.32 1l5i n PRO 81 Ca 0.05 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1l5i n PRO 81 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1l5i n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1l5i n THR 82 N -1.11 0.04 -4.20 0.52 -2.24 -1.26 -5.01 114.28 101.02 1l5i n THR 82 Ca 0.15 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 1l5i n THR 82 Cb 0.12 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.44 1l5i n THR 82 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l5i s ARG 83 N -2.45 0.63 -0.70 -0.78 3.52 -1.05 -5.03 118.95 113.09 1l5i s ARG 83 Ca -0.03 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1l5i s ARG 83 Cb 0.04 -0.55 -0.16 0.00 -1.56 0.00 0.00 34.95 32.73 1l5i s ARG 83 CO 0.29 0.13 2.96 0.43 -0.81 0.00 0.00 175.30 178.30 1l5i n SER 84 N 2.16 6.07 -4.00 -2.12 7.64 -1.26 -3.82 113.62 118.29 1l5i n SER 84 Ca -0.18 -2.42 -0.27 0.00 1.01 0.00 0.00 58.87 57.02 1l5i n SER 84 Cb 0.56 -1.32 -0.17 0.00 -1.01 0.00 0.00 64.21 62.27 1l5i n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l5i s ALA 85 N 1.90 1.44 0.10 -0.43 0.00 -1.26 -5.04 121.76 118.47 1l5i s ALA 85 Ca 0.59 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1l5i s ALA 85 Cb 0.22 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 1l5i s ALA 85 CO -0.03 -0.12 0.37 -1.01 0.00 0.00 0.00 175.76 174.97 1l5i s HIS 86 N 1.10 3.52 -0.07 0.00 3.76 -1.26 -1.19 115.29 121.15 1l5i s HIS 86 Ca -0.06 0.63 0.03 0.00 -0.15 0.00 0.00 55.06 55.52 1l5i s HIS 86 Cb -0.14 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.50 1l5i s HIS 86 CO -0.02 0.48 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.13 1l5i s PHE 87 N -1.53 1.75 -0.44 1.40 0.08 0.16 -4.97 117.98 114.43 1l5i s PHE 87 Ca 0.37 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 1l5i s PHE 87 Cb -0.13 -1.23 0.11 0.00 -0.57 0.00 0.00 43.02 41.20 1l5i s PHE 87 CO 0.21 -0.28 0.28 -1.58 -0.10 0.00 0.00 175.22 173.75 1l5i s HIS 88 N 0.45 3.45 0.66 0.36 5.65 -1.26 -2.24 115.29 122.35 1l5i s HIS 88 Ca -0.13 -1.95 -0.13 0.00 0.25 0.00 0.00 55.06 53.10 1l5i s HIS 88 Cb -0.15 -3.28 -0.01 0.00 -1.18 0.00 0.00 32.58 27.96 1l5i s HIS 88 CO 0.05 -0.96 1.06 -1.25 -0.65 0.00 0.00 174.74 172.99 1l5i s PRO 89 N 1.31 3.10 -0.23 2.88 0.04 -1.26 -4.87 135.00 135.97 1l5i s PRO 89 Ca 0.06 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 1l5i s PRO 89 Cb -0.24 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1l5i s PRO 89 CO -0.01 -0.98 0.57 -0.80 0.04 0.00 0.00 177.00 175.82 1l5i s ASN 90 N -3.45 6.56 -0.11 6.66 -0.87 -0.64 -4.82 114.94 118.27 1l5i s ASN 90 Ca 0.60 0.68 -0.21 0.00 -1.57 0.00 0.00 52.86 52.36 1l5i s ASN 90 Cb -0.14 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.25 38.74 1l5i s ASN 90 CO 0.48 -0.28 0.62 -0.63 -2.57 0.00 0.00 177.10 174.72 1l5i s ILE 91 N 2.11 5.09 -0.03 0.60 1.01 -1.26 -2.40 121.20 126.32 1l5i s ILE 91 Ca 0.25 1.24 0.01 0.00 0.00 0.00 0.00 60.65 62.15 1l5i s ILE 91 Cb -0.16 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1l5i s ILE 91 CO 0.09 0.24 -0.04 -1.10 0.00 0.00 0.00 174.94 174.14 1l5i s GLN 92 N 0.98 0.61 -0.37 2.79 -0.21 -0.58 -4.95 119.66 117.92 1l5i s GLN 92 Ca 0.32 -0.10 -0.19 0.00 0.02 0.00 0.00 55.36 55.40 1l5i s GLN 92 Cb -0.16 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.21 1l5i s GLN 92 CO 0.14 -0.02 0.58 0.20 -2.12 0.00 0.00 175.29 174.07 1l5i s GLY 93 N 0.58 1.78 -0.38 3.09 0.00 -1.26 -0.02 107.32 111.10 1l5i s GLY 93 Ca -0.07 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.41 1l5i s GLY 93 CO -0.00 1.39 0.84 0.00 0.00 0.00 0.00 173.10 175.33 1l5i s ALA 94 N 2.57 3.40 1.00 3.20 0.00 -0.45 -5.00 121.76 126.48 1l5i s ALA 94 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1l5i s ALA 94 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1l5i s ALA 94 CO 0.15 -1.60 0.00 0.36 0.00 0.00 0.00 175.76 174.66 1l5i n LYS 95 N 6.61 1.95 -3.29 0.00 2.85 -1.26 -4.00 118.16 121.02 1l5i n LYS 95 Ca 0.04 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.94 1l5i n LYS 95 Cb 0.48 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.80 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1l5i s SER 96 N -1.97 6.95 0.00 -5.58 1.04 -1.26 -4.84 113.70 108.05 1l5i s SER 96 Ca 0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1l5i s SER 96 Cb 0.00 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1l5i s SER 96 CO 0.00 0.16 0.00 -0.24 0.98 0.00 0.00 173.24 174.14 1l5i n SER 97 N 1.16 0.00 0.00 7.02 2.88 -1.26 -4.97 113.62 118.46 1l5i n SER 97 Ca -0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.62 1l5i n SER 97 Cb 0.51 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.69 1l5i n SER 97 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1l5i n SER 98 N 0.00 0.00 -0.15 -3.46 3.41 -1.26 -3.65 113.62 108.51 1l5i n SER 98 Ca 0.00 0.06 0.28 0.00 -0.26 0.00 0.00 58.87 58.94 1l5i n SER 98 Cb 0.00 -0.35 0.59 0.00 -0.26 0.00 0.00 64.21 64.19 1l5i n SER 98 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1l5i h ASP 99 N 0.00 0.00 -0.28 4.04 2.03 -2.00 1.70 116.42 121.92 1l5i h ASP 99 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1l5i h ASP 99 Cb 0.35 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 1l5i h ASP 99 CO 0.00 0.00 -0.08 -0.37 -1.03 0.00 0.00 179.24 177.76 1l5i h VAL 100 N 0.00 1.28 -0.84 4.15 -1.51 -1.99 -1.99 116.25 115.35 1l5i h VAL 100 Ca 0.42 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 1l5i h VAL 100 Cb 2.30 1.44 -0.04 0.00 -2.13 0.00 0.00 31.29 32.86 1l5i h VAL 100 CO -0.00 0.35 0.48 0.50 -1.23 0.00 0.00 177.57 177.67 1l5i h LYS 101 N 0.29 1.16 -0.52 5.19 1.63 0.22 0.18 116.57 124.73 1l5i h LYS 101 Ca 0.07 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1l5i h LYS 101 Cb 0.56 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 1l5i h LYS 101 CO 0.03 0.84 0.28 1.03 -3.45 0.00 0.00 179.45 178.18 1l5i h SER 102 N 1.17 0.43 0.18 4.20 0.87 -1.19 0.22 113.55 119.43 1l5i h SER 102 Ca 0.30 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.76 1l5i h SER 102 Cb -0.00 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1l5i h SER 102 CO -0.05 0.30 -0.45 0.22 -0.53 0.00 0.00 176.83 176.32 1l5i h TYR 103 N 0.55 0.39 -0.33 2.24 3.20 -0.75 -2.75 116.97 119.53 1l5i h TYR 103 Ca 0.22 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1l5i h TYR 103 Cb 0.09 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1l5i h TYR 103 CO -0.09 0.72 -0.23 0.82 -1.64 0.00 0.00 178.16 177.74 1l5i h ILE 104 N 0.27 1.27 0.00 1.81 2.04 0.28 -1.98 117.51 121.19 1l5i h ILE 104 Ca 0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1l5i h ILE 104 Cb 0.90 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1l5i h ILE 104 CO 0.07 0.42 -0.20 0.44 0.00 0.00 0.00 178.15 178.88 1l5i h ASP 105 N 0.57 0.00 -0.11 1.72 3.32 -0.34 -3.33 116.42 118.25 1l5i h ASP 105 Ca 0.08 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.49 1l5i h ASP 105 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1l5i h ASP 105 CO 0.05 0.20 2.46 0.29 -1.72 0.00 0.00 179.24 180.53 1l5i n LYS 106 N -3.70 2.11 -0.72 3.56 5.02 -0.75 -4.90 118.16 118.78 1l5i n LYS 106 Ca -0.01 -2.28 -0.08 0.00 -2.02 0.00 0.00 58.31 53.92 1l5i n LYS 106 Cb 0.32 -3.17 0.06 0.00 -0.02 0.00 0.00 35.03 32.22 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1l5i n ASP 107 N 7.74 0.12 0.00 4.39 9.92 -1.25 -5.01 116.55 132.46 1l5i n ASP 107 Ca 0.50 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1l5i n ASP 107 Cb 0.41 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l5i n GLY 108 N 2.46 1.86 3.16 0.44 0.00 -1.26 -4.92 105.19 106.93 1l5i n GLY 108 Ca 0.05 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1l5i n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1l5i n ASP 109 N 0.00 -4.34 -4.34 1.61 9.92 -1.26 -4.98 116.55 113.16 1l5i n ASP 109 Ca 0.00 -0.47 -0.18 0.00 -0.53 0.00 0.00 54.79 53.61 1l5i n ASP 109 Cb 0.00 -4.29 -0.10 0.00 -0.64 0.00 0.00 41.12 36.09 1l5i n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1l5i s VAL 110 N -3.28 0.97 -0.17 2.53 0.11 -1.26 -4.50 120.40 114.80 1l5i s VAL 110 Ca 0.31 -2.02 -0.01 0.00 -2.93 0.00 0.00 61.98 57.33 1l5i s VAL 110 Cb -0.14 -2.46 0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1l5i s VAL 110 CO 0.61 -0.22 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.91 1l5i s LEU 111 N -3.33 1.40 0.03 2.54 0.20 -0.64 -5.05 118.68 113.83 1l5i s LEU 111 Ca 0.31 -0.67 0.05 0.00 0.69 0.00 0.00 54.13 54.52 1l5i s LEU 111 Cb 0.07 -0.77 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1l5i s LEU 111 CO 0.10 -0.23 -0.11 -1.83 -0.29 0.00 0.00 176.35 174.00 1l5i s GLU 112 N 1.73 2.34 0.11 1.98 1.03 -1.26 -2.12 118.70 122.51 1l5i s GLU 112 Ca 0.00 -0.85 0.05 0.00 0.03 0.00 0.00 54.97 54.20 1l5i s GLU 112 Cb -0.16 -2.37 -0.04 0.00 -0.80 0.00 0.00 34.13 30.77 1l5i s GLU 112 CO -0.07 0.57 -0.12 -0.46 -1.33 0.00 0.00 175.26 173.85 1l5i s TRP 113 N -0.99 1.23 0.07 4.83 -0.00 0.60 -4.99 118.94 119.70 1l5i s TRP 113 Ca 0.17 -0.59 0.00 0.00 -0.00 0.00 0.00 56.10 55.67 1l5i s TRP 113 Cb -0.11 -0.66 0.00 0.00 -0.00 0.00 0.00 33.47 32.70 1l5i s TRP 113 CO 0.07 0.07 0.00 0.41 -0.00 0.00 0.00 176.95 177.51 1l5i n GLY 114 N 0.59 -1.81 3.02 5.86 0.00 -1.26 0.39 105.19 111.97 1l5i n GLY 114 Ca -0.16 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1l5i n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l5i s THR 115 N -0.74 1.60 0.45 2.61 2.01 -0.80 -4.75 115.64 116.02 1l5i s THR 115 Ca 0.00 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1l5i s THR 115 Cb 0.00 -1.51 -0.10 0.00 0.01 0.00 0.00 72.50 70.90 1l5i s THR 115 CO 0.00 0.44 0.96 0.12 -0.69 0.00 0.00 174.62 175.45 1l5i s PHE 116 N 1.47 3.32 -0.11 4.92 2.19 -1.26 -4.19 117.98 124.32 1l5i s PHE 116 Ca 0.04 1.59 -0.05 0.00 0.33 0.00 0.00 56.93 58.84 1l5i s PHE 116 Cb -0.13 -2.85 0.05 0.00 -1.31 0.00 0.00 43.02 38.78 1l5i s PHE 116 CO -0.11 -0.18 0.25 1.14 1.83 0.00 0.00 175.22 178.15 1l5i s GLN 117 N -3.33 0.21 -0.17 10.12 -2.07 -1.26 -5.06 119.66 118.10 1l5i s GLN 117 Ca 0.62 0.55 -0.20 0.00 -1.82 0.00 0.00 55.36 54.50 1l5i s GLN 117 Cb -0.09 -0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.68 1l5i s GLN 117 CO 0.16 -0.17 0.60 0.42 -1.32 0.00 0.00 175.29 174.99 1l5i s ILE 118 N 1.31 5.06 -0.29 3.63 1.09 -1.26 -5.02 121.20 125.72 1l5i s ILE 118 Ca -0.09 1.15 -0.29 0.00 -1.10 0.00 0.00 60.65 60.32 1l5i s ILE 118 Cb -0.10 -3.92 0.01 0.00 -1.06 0.00 0.00 42.46 37.38 1l5i s ILE 118 CO -0.09 0.17 1.22 -0.62 -0.10 0.00 0.00 174.94 175.52 1l5i s ASP 119 N 1.06 6.79 -0.39 3.58 -1.08 -1.26 -4.92 116.67 120.45 1l5i s ASP 119 Ca 0.29 1.20 0.10 0.00 -0.52 0.00 0.00 52.55 53.61 1l5i s ASP 119 Cb -0.16 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.06 1l5i s ASP 119 CO 0.11 -0.98 0.63 0.61 0.52 0.00 0.00 175.17 176.06 1l5i n GLY 120 N 4.09 3.30 0.00 2.66 0.00 -1.26 -5.13 105.19 108.85 1l5i n GLY 120 Ca 0.14 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19