#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 -0.83 2.91 0.46 0.00 -1.26 -5.07 105.19 101.40 1l5i n GLY 5 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.38 1.28 -0.64 1.61 0.52 -1.26 -5.09 118.95 112.99 1l5i s ARG 6 Ca 0.05 -0.20 -0.27 0.00 -0.52 0.00 0.00 55.73 54.79 1l5i s ARG 6 Cb -0.01 -1.30 0.02 0.00 0.52 0.00 0.00 34.95 34.17 1l5i s ARG 6 CO 0.33 -0.17 1.42 0.12 0.02 0.00 0.00 175.30 177.01 1l5i s PHE 7 N 1.37 2.21 -0.17 -0.53 5.36 -1.26 -4.95 117.98 120.00 1l5i s PHE 7 Ca -0.02 0.32 -0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1l5i s PHE 7 Cb -0.14 -4.44 0.05 0.00 -0.34 0.00 0.00 43.02 38.15 1l5i s PHE 7 CO -0.03 -2.04 0.00 -1.54 -1.46 0.00 0.00 175.22 170.15 1l5i s SER 8 N 4.62 2.74 -0.14 6.13 1.04 -1.26 -4.21 113.70 122.62 1l5i s SER 8 Ca 0.47 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 1l5i s SER 8 Cb -0.10 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 1l5i s SER 8 CO 0.21 -0.25 0.01 -0.63 0.98 0.00 0.00 173.24 173.56 1l5i s ILE 9 N 1.78 4.38 -0.19 -1.02 1.01 -1.15 -4.90 121.20 121.11 1l5i s ILE 9 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1l5i s ILE 9 Cb -0.16 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1l5i s ILE 9 CO -0.07 0.52 0.04 -0.54 0.00 0.00 0.00 174.94 174.88 1l5i s LYS 10 N -0.07 0.64 0.15 2.79 1.02 -1.26 0.97 119.74 123.98 1l5i s LYS 10 Ca 0.04 -0.39 -0.24 0.00 0.02 0.00 0.00 55.97 55.40 1l5i s LYS 10 Cb -0.13 -2.06 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1l5i s LYS 10 CO 0.02 -0.63 0.73 0.00 -0.92 0.00 0.00 175.35 174.55 1l5i s ALA 11 N 1.87 -1.57 -0.10 5.17 0.00 -0.95 -4.95 121.76 121.23 1l5i s ALA 11 Ca -0.01 0.38 0.15 0.00 0.00 0.00 0.00 51.96 52.48 1l5i s ALA 11 Cb -0.17 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.60 1l5i s ALA 11 CO -0.08 -0.85 1.02 1.57 0.00 0.00 0.00 175.76 177.42 1l5i h LYS 12 N 2.00 0.00 -5.93 0.00 2.10 -1.82 0.14 116.57 113.05 1l5i h LYS 12 Ca -0.27 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.70 1l5i h LYS 12 Cb 1.27 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 32.32 1l5i h LYS 12 CO 0.32 0.43 -0.83 -0.80 -2.00 0.00 0.00 179.45 176.56 1l5i s ASN 13 N -6.07 3.52 0.01 7.07 0.01 -1.26 -0.31 114.94 117.90 1l5i s ASN 13 Ca -0.01 -0.39 0.05 0.00 -0.71 0.00 0.00 52.86 51.80 1l5i s ASN 13 Cb 0.08 -1.02 -0.02 0.00 0.41 0.00 0.00 41.25 40.71 1l5i s ASN 13 CO 0.80 0.25 -0.17 -0.31 -1.51 0.00 0.00 177.10 176.16 1l5i s TYR 14 N -0.19 1.48 -0.17 2.20 2.02 0.05 -1.20 117.35 121.55 1l5i s TYR 14 Ca -0.02 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1l5i s TYR 14 Cb -0.13 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1l5i s TYR 14 CO 0.03 0.01 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.77 1l5i s PHE 15 N -0.58 2.74 -0.18 2.71 0.08 0.16 -1.86 117.98 121.06 1l5i s PHE 15 Ca 0.05 -1.50 -0.07 0.00 0.12 0.00 0.00 56.93 55.53 1l5i s PHE 15 Cb -0.07 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1l5i s PHE 15 CO 0.00 -0.72 0.05 -0.51 -0.10 0.00 0.00 175.22 173.94 1l5i s LEU 16 N 1.10 3.70 -0.19 -0.37 2.01 -0.79 -1.97 118.68 122.16 1l5i s LEU 16 Ca 0.00 0.03 0.01 0.00 0.01 0.00 0.00 54.13 54.18 1l5i s LEU 16 Cb -0.14 -1.93 0.03 0.00 0.01 0.00 0.00 46.19 44.16 1l5i s LEU 16 CO -0.08 0.16 -0.17 -0.89 1.01 0.00 0.00 176.35 176.38 1l5i s THR 17 N 0.43 1.97 -0.45 5.49 2.01 -1.01 -2.19 115.64 121.89 1l5i s THR 17 Ca 0.02 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1l5i s THR 17 Cb -0.13 -1.84 0.10 0.00 0.01 0.00 0.00 72.50 70.64 1l5i s THR 17 CO 0.01 0.42 0.30 -0.31 -0.69 0.00 0.00 174.62 174.35 1l5i s TYR 18 N 1.30 3.41 0.25 4.92 1.51 -1.00 -0.96 117.35 126.79 1l5i s TYR 18 Ca 0.03 -1.81 -0.30 0.00 -1.01 0.00 0.00 57.07 53.98 1l5i s TYR 18 Cb -0.14 -3.27 -0.09 0.00 -0.11 0.00 0.00 41.96 38.35 1l5i s TYR 18 CO -0.11 -0.94 1.09 -1.25 -1.11 0.00 0.00 175.55 173.23 1l5i s PRO 19 N 1.36 4.64 -1.67 -1.71 0.04 -1.26 -2.43 135.00 133.97 1l5i s PRO 19 Ca 0.05 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 1l5i s PRO 19 Cb -0.25 -3.22 0.09 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO -0.00 0.19 0.23 1.63 0.04 0.00 0.00 177.00 179.10 1l5i n LYS 20 N 1.55 -0.85 -3.79 4.56 5.02 -0.56 -4.87 118.16 119.21 1l5i n LYS 20 Ca -0.00 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 56.04 1l5i n LYS 20 Cb 0.45 -4.01 -0.12 0.00 -0.02 0.00 0.00 35.03 31.33 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5i n ASP 22 N 4.79 1.99 -4.74 0.00 2.03 -1.26 -4.41 116.55 114.95 1l5i n ASP 22 Ca -0.16 -2.15 -0.41 0.00 0.52 0.00 0.00 54.79 52.59 1l5i n ASP 22 Cb 0.51 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1l5i s LEU 23 N -0.99 4.42 0.56 -2.67 2.96 -1.26 -5.01 118.68 116.70 1l5i s LEU 23 Ca 0.18 2.42 -0.07 0.00 -0.22 0.00 0.00 54.13 56.44 1l5i s LEU 23 Cb 0.12 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1l5i s LEU 23 CO 0.09 -0.51 0.90 0.42 -1.32 0.00 0.00 176.35 175.93 1l5i s THR 24 N -0.06 4.28 0.31 3.68 -4.23 -1.26 -4.93 115.64 113.43 1l5i s THR 24 Ca 0.55 0.26 0.12 0.00 -1.18 0.00 0.00 61.69 61.45 1l5i s THR 24 Cb -0.36 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 69.85 1l5i s THR 24 CO 0.40 -0.73 1.73 0.07 -0.54 0.00 0.00 174.62 175.54 1l5i h LYS 25 N -0.09 0.00 -0.12 3.99 2.10 -1.96 -0.95 116.57 119.54 1l5i h LYS 25 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1l5i h LYS 25 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1l5i h LYS 25 CO 0.62 0.48 0.02 0.93 -2.00 0.00 0.00 179.45 179.49 1l5i h GLU 26 N 0.00 0.21 -0.35 0.07 4.39 -1.97 1.36 114.58 118.28 1l5i h GLU 26 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1l5i h GLU 26 Cb 0.86 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1l5i h GLU 26 CO 0.06 0.40 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.38 1l5i h ASN 27 N -0.02 0.63 0.10 1.42 -0.26 -1.92 0.21 115.58 115.74 1l5i h ASN 27 Ca 0.04 -0.32 -0.09 0.00 -0.56 0.00 0.00 56.30 55.36 1l5i h ASN 27 Cb 0.29 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1l5i h ASN 27 CO 0.00 0.80 -0.31 0.00 -1.06 0.00 0.00 177.43 176.86 1l5i h ALA 28 N 0.85 1.17 -0.22 -0.83 0.00 -1.08 0.34 119.26 119.49 1l5i h ALA 28 Ca 0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1l5i h ALA 28 Cb 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1l5i h ALA 28 CO 0.02 0.54 -0.17 1.25 0.00 0.00 0.00 179.25 180.90 1l5i h LEU 29 N 0.28 0.53 -0.27 0.00 7.12 0.22 0.61 115.31 123.79 1l5i h LEU 29 Ca 0.04 -0.45 -0.07 0.00 0.13 0.00 0.00 57.88 57.53 1l5i h LEU 29 Cb 0.70 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1l5i h LEU 29 CO 0.05 0.87 -0.09 0.28 -0.13 0.00 0.00 178.44 179.41 1l5i h SER 30 N 0.20 0.55 -0.14 1.25 0.02 -0.33 0.61 113.55 115.71 1l5i h SER 30 Ca 0.04 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1l5i h SER 30 Cb 0.69 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1l5i h SER 30 CO 0.04 0.81 0.01 1.56 -1.14 0.00 0.00 176.83 178.11 1l5i h GLN 31 N 0.29 0.25 -0.33 3.45 4.20 -0.31 0.41 115.11 123.07 1l5i h GLN 31 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1l5i h GLN 31 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1l5i h GLN 31 CO 0.03 0.46 0.09 0.82 -0.67 0.00 0.00 178.83 179.56 1l5i h ILE 32 N -0.00 1.22 -0.72 2.54 1.08 0.25 0.39 117.51 122.27 1l5i h ILE 32 Ca 0.04 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.76 1l5i h ILE 32 Cb 0.35 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 1l5i h ILE 32 CO 0.01 0.24 0.32 0.74 -0.69 0.00 0.00 178.15 178.77 1l5i h THR 33 N 0.38 1.24 -0.00 -0.27 2.02 0.31 -0.17 112.91 116.41 1l5i h THR 33 Ca 0.10 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1l5i h THR 33 Cb 0.28 0.34 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 0.00 175.52 176.71 1l5i n ASN 34 N -4.31 0.12 -4.65 4.18 5.03 0.14 -4.76 115.26 111.00 1l5i n ASN 34 Ca 0.07 0.05 -0.43 0.00 0.87 0.00 0.00 54.58 55.14 1l5i n ASN 34 Cb 0.15 -0.29 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 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 -2.77 4.13 0.66 3.41 1.02 0.14 -5.01 118.68 120.26 1l5i s LEU 35 Ca 0.21 1.63 -0.10 0.00 0.02 0.00 0.00 54.13 55.89 1l5i s LEU 35 Cb 0.19 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.87 1l5i s LEU 35 CO 0.51 -0.83 1.04 -1.10 0.02 0.00 0.00 176.35 176.00 1l5i s GLN 36 N 3.65 3.06 0.10 1.70 -0.21 -1.26 -4.96 119.66 121.74 1l5i s GLN 36 Ca 0.56 0.45 -0.08 0.00 0.02 0.00 0.00 55.36 56.31 1l5i s GLN 36 Cb -0.21 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.71 1l5i s GLN 36 CO 0.17 -0.85 0.18 -0.08 -2.12 0.00 0.00 175.29 172.59 1l5i s THR 37 N -3.24 0.14 -0.06 -0.19 -1.32 -1.26 -5.04 115.64 104.67 1l5i s THR 37 Ca 0.56 -1.27 0.23 0.00 -1.21 0.00 0.00 61.69 60.00 1l5i s THR 37 Cb -0.11 -1.43 0.24 0.00 -1.51 0.00 0.00 72.50 69.69 1l5i s THR 37 CO 0.51 -0.63 1.72 1.55 -2.21 0.00 0.00 174.62 175.56 1l5i h PRO 38 N 2.76 0.00 0.00 7.08 0.13 -1.99 -3.42 132.00 136.56 1l5i h PRO 38 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1l5i h PRO 38 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l5i h PRO 38 CO 0.56 0.21 0.00 -2.37 -0.23 0.00 0.00 178.00 176.17 1l5i n THR 39 N -3.25 0.00 -3.63 1.56 5.66 -1.26 -5.12 114.28 108.24 1l5i n THR 39 Ca 0.01 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.96 1l5i n THR 39 Cb 0.50 -0.04 -0.06 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.96 -0.17 -0.28 1.09 2.47 -1.26 -4.97 114.94 110.85 1l5i s ASN 40 Ca 0.00 0.27 -0.20 0.00 0.42 0.00 0.00 52.86 53.35 1l5i s ASN 40 Cb 0.00 0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 40.03 1l5i s ASN 40 CO 0.00 -0.10 0.61 -0.54 -3.72 0.00 0.00 177.10 173.35 1l5i s LYS 41 N -0.44 4.00 -0.14 0.43 1.02 -1.26 -1.84 119.74 121.51 1l5i s LYS 41 Ca 0.06 0.39 -0.09 0.00 0.02 0.00 0.00 55.97 56.34 1l5i s LYS 41 Cb -0.03 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1l5i s LYS 41 CO -0.09 -0.48 -0.17 1.25 -0.92 0.00 0.00 175.35 174.94 1l5i h LEU 42 N 9.01 0.00 -8.30 3.17 5.85 -1.55 -3.47 115.31 120.02 1l5i h LEU 42 Ca -0.27 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.24 1l5i h LEU 42 Cb 1.12 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.99 1l5i h LEU 42 CO 0.78 0.76 -0.70 0.12 -0.34 0.00 0.00 178.44 179.05 1l5i s PHE 43 N -2.23 0.70 -0.09 1.25 5.36 -1.12 -2.57 117.98 119.28 1l5i s PHE 43 Ca -0.15 -0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 54.95 1l5i s PHE 43 Cb 0.02 -0.44 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1l5i s PHE 43 CO 0.22 -0.20 0.05 0.42 -1.46 0.00 0.00 175.22 174.25 1l5i s ILE 44 N -3.12 0.07 -0.22 3.12 1.01 0.91 -2.46 121.20 120.52 1l5i s ILE 44 Ca 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1l5i s ILE 44 Cb 0.02 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 42.09 1l5i s ILE 44 CO -0.05 0.06 -0.11 -0.75 0.00 0.00 0.00 174.94 174.09 1l5i s LYS 45 N 2.09 2.93 -0.23 2.79 2.47 0.22 -1.41 119.74 128.60 1l5i s LYS 45 Ca 0.04 -0.90 0.01 0.00 -1.56 0.00 0.00 55.97 53.56 1l5i s LYS 45 Cb -0.13 -2.83 0.04 0.00 -1.46 0.00 0.00 37.83 33.44 1l5i s LYS 45 CO -0.05 -0.31 -0.13 0.42 0.16 0.00 0.00 175.35 175.43 1l5i s ILE 46 N 1.32 2.31 -0.04 5.43 1.01 -0.96 0.40 121.20 130.67 1l5i s ILE 46 Ca 0.02 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 59.49 1l5i s ILE 46 Cb -0.15 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1l5i s ILE 46 CO -0.07 0.24 -0.19 0.00 0.00 0.00 0.00 174.94 174.91 1l5i s ARG 48 N -0.12 3.19 -0.04 0.00 3.52 -1.26 -0.20 118.95 124.04 1l5i s ARG 48 Ca -0.01 -0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1l5i s ARG 48 Cb -0.11 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1l5i s ARG 48 CO 0.02 0.70 0.08 -2.00 -0.81 0.00 0.00 175.30 173.30 1l5i s GLU 49 N -1.31 0.04 -0.15 5.12 2.56 -0.90 -4.94 118.70 119.12 1l5i s GLU 49 Ca 0.18 0.23 -0.09 0.00 0.00 0.00 0.00 54.97 55.29 1l5i s GLU 49 Cb -0.12 -0.15 -0.05 0.00 2.00 0.00 0.00 34.13 35.82 1l5i s GLU 49 CO 0.08 -0.13 0.17 -0.51 -0.56 0.00 0.00 175.26 174.32 1l5i s LEU 50 N 0.84 4.31 0.44 2.70 2.01 -1.26 -1.43 118.68 126.30 1l5i s LEU 50 Ca -0.07 0.42 -0.14 0.00 0.01 0.00 0.00 54.13 54.35 1l5i s LEU 50 Cb -0.09 -2.15 -0.08 0.00 0.01 0.00 0.00 46.19 43.89 1l5i s LEU 50 CO -0.03 0.29 0.87 -1.00 1.01 0.00 0.00 176.35 177.48 1l5i s HIS 51 N -0.37 3.44 -1.34 0.29 3.76 -0.45 -4.94 115.29 115.68 1l5i s HIS 51 Ca 0.13 1.29 0.21 0.00 -0.15 0.00 0.00 55.06 56.54 1l5i s HIS 51 Cb -0.12 -2.63 1.01 0.00 1.11 0.00 0.00 32.58 31.95 1l5i s HIS 51 CO 0.02 -0.20 1.66 -0.85 -0.85 0.00 0.00 174.74 174.53 1l5i n GLU 52 N -1.26 0.24 0.00 1.40 0.28 -1.26 -1.87 120.64 118.16 1l5i n GLU 52 Ca 0.05 0.10 0.14 0.00 -0.16 0.00 0.00 57.16 57.29 1l5i n GLU 52 Cb 0.54 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 32.51 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1l5i n ASN 53 N -1.33 0.79 0.00 -1.84 3.02 -1.26 -4.88 115.26 109.76 1l5i n ASN 53 Ca 0.09 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1l5i n ASN 53 Cb 0.18 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.21 0.74 3.69 7.41 0.00 -0.78 -5.04 105.19 112.42 1l5i n GLY 54 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.38 4.18 0.16 1.61 -1.05 -1.25 -4.93 118.70 117.04 1l5i s GLU 55 Ca 0.00 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 1l5i s GLU 55 Cb 0.00 -3.50 -0.07 0.00 -0.44 0.00 0.00 34.13 30.12 1l5i s GLU 55 CO 0.00 0.09 1.13 -1.25 0.95 0.00 0.00 175.26 176.18 1l5i s PRO 56 N 0.93 4.55 0.11 -4.83 0.04 -1.26 -1.34 135.00 133.20 1l5i s PRO 56 Ca 0.15 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1l5i s PRO 56 Cb -0.14 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1l5i s PRO 56 CO 0.05 0.00 -0.18 -1.58 0.04 0.00 0.00 177.00 175.34 1l5i s HIS 57 N -0.01 1.60 -0.01 0.56 2.46 -0.51 -1.50 115.29 117.86 1l5i s HIS 57 Ca 0.51 -0.47 0.05 0.00 0.47 0.00 0.00 55.06 55.62 1l5i s HIS 57 Cb -0.30 -0.85 -0.01 0.00 -0.13 0.00 0.00 32.58 31.29 1l5i s HIS 57 CO 0.34 0.19 -0.15 -1.17 -2.47 0.00 0.00 174.74 171.48 1l5i s LEU 58 N -2.14 2.02 0.00 8.88 1.98 -1.02 -2.12 118.68 126.29 1l5i s LEU 58 Ca 0.07 -0.27 0.07 0.00 -2.89 0.00 0.00 54.13 51.11 1l5i s LEU 58 Cb -0.08 -0.77 -0.02 0.00 0.66 0.00 0.00 46.19 45.98 1l5i s LEU 58 CO 0.04 0.18 -0.23 -1.00 -1.89 0.00 0.00 176.35 173.45 1l5i s HIS 59 N -0.34 2.02 -0.04 5.38 3.76 0.72 -2.36 115.29 124.44 1l5i s HIS 59 Ca 0.05 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1l5i s HIS 59 Cb -0.06 -1.27 0.01 0.00 1.11 0.00 0.00 32.58 32.37 1l5i s HIS 59 CO -0.01 0.01 0.10 0.42 -0.85 0.00 0.00 174.74 174.42 1l5i s ILE 60 N -0.61 -0.00 -0.18 0.60 1.01 -0.93 -1.03 121.20 120.05 1l5i s ILE 60 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1l5i s ILE 60 Cb -0.09 -0.15 0.06 0.00 0.01 0.00 0.00 42.46 42.29 1l5i s ILE 60 CO -0.00 0.00 0.08 -0.22 0.00 0.00 0.00 174.94 174.80 1l5i s LEU 61 N 0.11 0.60 0.08 2.97 1.98 0.16 -1.89 118.68 122.71 1l5i s LEU 61 Ca -0.00 -0.71 0.08 0.00 -2.89 0.00 0.00 54.13 50.61 1l5i s LEU 61 Cb -0.01 -0.35 -0.04 0.00 0.66 0.00 0.00 46.19 46.45 1l5i s LEU 61 CO -0.00 -0.34 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.29 1l5i s ILE 62 N 2.05 2.70 -0.12 6.68 1.01 -0.78 -0.61 121.20 132.14 1l5i s ILE 62 Ca 0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 1l5i s ILE 62 Cb -0.16 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1l5i s ILE 62 CO -0.10 0.21 0.03 0.00 0.00 0.00 0.00 174.94 175.08 1l5i s GLN 63 N -1.79 0.52 0.37 2.79 -2.07 -1.03 -0.77 119.66 117.67 1l5i s GLN 63 Ca 0.16 -0.05 -0.05 0.00 -1.82 0.00 0.00 55.36 53.60 1l5i s GLN 63 Cb -0.10 -1.37 -0.05 0.00 -1.09 0.00 0.00 33.01 30.40 1l5i s GLN 63 CO 0.07 -0.45 0.65 -0.06 -1.32 0.00 0.00 175.29 174.19 1l5i s PHE 64 N 1.97 3.50 0.41 9.60 0.40 0.57 -1.40 117.98 133.03 1l5i s PHE 64 Ca 0.03 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1l5i s PHE 64 Cb -0.14 -2.18 0.86 0.00 0.51 0.00 0.00 43.02 42.07 1l5i s PHE 64 CO -0.06 -0.01 2.04 1.49 0.70 0.00 0.00 175.22 179.38 1l5i h GLU 65 N 1.02 0.49 -5.89 0.44 4.81 -1.68 -3.43 114.58 110.35 1l5i h GLU 65 Ca -0.48 -0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 1l5i h GLU 65 Cb 1.20 -0.11 -0.17 0.00 0.63 0.00 0.00 28.75 30.31 1l5i h GLU 65 CO 0.64 0.35 -0.77 0.20 -0.73 0.00 0.00 179.01 178.70 1l5i s GLY 66 N -3.74 1.45 -0.20 1.92 0.00 -1.26 -5.04 107.32 100.43 1l5i s GLY 66 Ca -0.08 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 42.79 1l5i s GLY 66 CO 0.73 -1.62 2.19 0.28 0.00 0.00 0.00 173.10 174.68 1l5i n LYS 67 N 0.07 1.97 -3.18 2.90 5.02 -1.26 -4.64 118.16 119.05 1l5i n LYS 67 Ca -0.11 0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 56.35 1l5i n LYS 67 Cb 0.58 -3.14 -0.06 0.00 -0.02 0.00 0.00 35.03 32.39 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 7.80 3.78 -0.46 2.13 5.04 0.47 -4.75 117.35 131.36 1l5i s TYR 68 Ca 1.00 1.33 -0.17 0.00 -2.44 0.00 0.00 57.07 56.79 1l5i s TYR 68 Cb -0.40 -2.61 0.04 0.00 0.35 0.00 0.00 41.96 39.35 1l5i s TYR 68 CO 0.37 0.47 0.48 1.21 -1.34 0.00 0.00 175.55 176.75 1l5i s ASN 69 N -0.71 6.19 -0.94 4.32 3.04 -1.26 -2.24 114.94 123.35 1l5i s ASN 69 Ca 0.32 -0.91 -0.01 0.00 0.04 0.00 0.00 52.86 52.30 1l5i s ASN 69 Cb -0.20 -2.23 0.29 0.00 -1.54 0.00 0.00 41.25 37.57 1l5i s ASN 69 CO 0.20 -0.69 1.27 0.00 -3.04 0.00 0.00 177.10 174.84 1l5i n THR 71 N 1.12 2.59 -3.38 0.00 5.66 -1.26 -2.92 114.28 116.08 1l5i n THR 71 Ca 0.28 -1.40 0.02 0.00 -3.05 0.00 0.00 64.05 59.89 1l5i n THR 71 Cb 0.35 -0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 68.44 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 -0.62 -1.01 -0.04 1.09 2.47 -1.26 -4.72 114.94 110.85 1l5i s ASN 72 Ca 0.40 1.03 -0.05 0.00 0.42 0.00 0.00 52.86 54.67 1l5i s ASN 72 Cb 0.34 2.01 -0.21 0.00 -1.45 0.00 0.00 41.25 41.94 1l5i s ASN 72 CO 0.07 -0.19 3.36 0.00 -3.72 0.00 0.00 177.10 176.62 1l5i n GLN 73 N 5.34 1.92 -0.00 0.43 10.64 -1.26 -3.45 117.38 130.99 1l5i n GLN 73 Ca -0.07 -1.00 0.01 0.00 -1.83 0.00 0.00 57.00 54.10 1l5i n GLN 73 Cb 0.51 -1.89 -0.02 0.00 -0.86 0.00 0.00 30.24 27.98 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1l5i n ARG 74 N 2.24 1.00 0.06 2.61 1.74 -1.26 -4.48 116.66 118.56 1l5i n ARG 74 Ca 0.38 -0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 57.26 1l5i n ARG 74 Cb 0.84 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 31.14 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 -2.00 -3.11 116.94 114.49 1l5i h PHE 75 Ca -0.01 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 60.97 1l5i h PHE 75 Cb 0.35 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1l5i h PHE 75 CO 0.00 1.35 0.00 1.19 -2.23 0.00 0.00 178.31 178.62 1l5i n PHE 76 N -3.80 0.48 -2.07 0.41 3.72 -1.26 -4.84 117.46 110.10 1l5i n PHE 76 Ca -0.10 -0.21 -0.41 0.00 -0.05 0.00 0.00 57.45 56.67 1l5i n PHE 76 Cb 0.90 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 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 5.76 -0.11 4.37 1.01 -1.18 -4.43 116.67 121.25 1l5i s ASP 77 Ca 0.20 0.91 -0.03 0.00 0.71 0.00 0.00 52.55 54.33 1l5i s ASP 77 Cb 0.11 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1l5i s ASP 77 CO 0.12 -1.88 0.01 -0.76 0.21 0.00 0.00 175.17 172.87 1l5i s LEU 78 N 7.35 3.61 0.31 1.23 1.43 -1.00 -4.98 118.68 126.63 1l5i s LEU 78 Ca 0.72 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1l5i s LEU 78 Cb -0.18 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1l5i s LEU 78 CO 0.29 0.32 -0.07 0.68 0.23 0.00 0.00 176.35 177.80 1l5i s VAL 79 N -0.50 1.85 -0.25 -1.59 -7.23 -1.26 0.45 120.40 111.87 1l5i s VAL 79 Ca 0.09 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 57.87 1l5i s VAL 79 Cb -0.12 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 1l5i s VAL 79 CO 0.02 -0.24 0.84 -0.55 -0.31 0.00 0.00 175.10 174.86 1l5i s SER 80 N -3.51 6.83 0.00 4.85 0.15 0.37 -4.90 113.70 117.48 1l5i s SER 80 Ca 0.31 1.01 0.23 0.00 0.70 0.00 0.00 55.95 58.20 1l5i s SER 80 Cb 0.04 -2.44 1.13 0.00 -1.71 0.00 0.00 66.02 63.03 1l5i s SER 80 CO 0.14 -0.55 1.74 -0.81 1.20 0.00 0.00 173.24 174.96 1l5i n PRO 81 N 6.08 0.28 -0.01 5.44 -0.04 -1.26 -2.65 135.00 142.84 1l5i n PRO 81 Ca 0.06 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1l5i n PRO 81 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.31 0.06 -4.20 0.52 -2.24 -1.26 -5.01 114.28 100.84 1l5i n THR 82 Ca 0.10 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1l5i n THR 82 Cb 0.19 0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.61 0.64 -0.66 -0.78 3.52 -1.08 -5.03 118.95 112.94 1l5i s ARG 83 Ca -0.04 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 1l5i s ARG 83 Cb 0.06 -0.55 -0.16 0.00 -1.56 0.00 0.00 34.95 32.74 1l5i s ARG 83 CO 0.39 0.13 2.98 0.45 -0.81 0.00 0.00 175.30 178.44 1l5i n SER 84 N 2.09 6.00 -4.12 -2.12 2.88 -1.26 -3.70 113.62 113.38 1l5i n SER 84 Ca -0.18 -2.42 -0.27 0.00 -1.33 0.00 0.00 58.87 54.67 1l5i n SER 84 Cb 0.56 -1.32 -0.16 0.00 -0.75 0.00 0.00 64.21 62.53 1l5i n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l5i s ALA 85 N 1.86 1.59 0.02 -1.46 0.00 -1.26 -5.02 121.76 117.49 1l5i s ALA 85 Ca 0.59 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1l5i s ALA 85 Cb 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1l5i s ALA 85 CO -0.02 0.24 0.14 -1.01 0.00 0.00 0.00 175.76 175.11 1l5i s HIS 86 N 0.25 3.41 -0.06 0.00 3.76 -1.26 -0.48 115.29 120.92 1l5i s HIS 86 Ca -0.09 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 1l5i s HIS 86 Cb -0.14 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.79 1l5i s HIS 86 CO 0.04 0.59 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.29 1l5i s PHE 87 N -1.33 1.73 -0.43 1.40 0.08 0.17 -4.97 117.98 114.63 1l5i s PHE 87 Ca 0.28 -0.56 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 1l5i s PHE 87 Cb -0.12 -1.19 0.11 0.00 -0.57 0.00 0.00 43.02 41.25 1l5i s PHE 87 CO 0.19 -0.22 0.27 -1.58 -0.10 0.00 0.00 175.22 173.78 1l5i s HIS 88 N 0.24 3.46 0.68 0.36 5.65 -1.26 -2.37 115.29 122.05 1l5i s HIS 88 Ca -0.08 -1.99 -0.11 0.00 0.25 0.00 0.00 55.06 53.12 1l5i s HIS 88 Cb -0.13 -3.24 0.00 0.00 -1.18 0.00 0.00 32.58 28.02 1l5i s HIS 88 CO 0.03 -0.95 1.06 -1.25 -0.65 0.00 0.00 174.74 172.98 1l5i s PRO 89 N 1.30 2.99 -0.25 2.88 0.04 -1.26 -4.86 135.00 135.83 1l5i s PRO 89 Ca 0.06 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 61.84 1l5i s PRO 89 Cb -0.24 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1l5i s PRO 89 CO -0.01 -1.06 0.74 -0.80 0.04 0.00 0.00 177.00 175.90 1l5i s ASN 90 N -3.71 6.70 -0.17 6.66 -0.87 -0.13 -4.79 114.94 118.63 1l5i s ASN 90 Ca 0.58 0.85 -0.22 0.00 -1.57 0.00 0.00 52.86 52.51 1l5i s ASN 90 Cb -0.14 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 1l5i s ASN 90 CO 0.53 -0.46 0.65 -0.63 -2.57 0.00 0.00 177.10 174.62 1l5i s ILE 91 N 2.70 5.02 -0.03 0.60 1.01 -1.26 -2.41 121.20 126.83 1l5i s ILE 91 Ca 0.31 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1l5i s ILE 91 Cb -0.15 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1l5i s ILE 91 CO 0.08 0.14 -0.04 -1.10 0.00 0.00 0.00 174.94 174.02 1l5i s GLN 92 N 1.65 0.65 -0.37 2.79 -0.21 -0.83 -4.97 119.66 118.37 1l5i s GLN 92 Ca 0.31 -0.10 -0.16 0.00 0.02 0.00 0.00 55.36 55.43 1l5i s GLN 92 Cb -0.16 -0.68 -0.00 0.00 1.00 0.00 0.00 33.01 33.17 1l5i s GLN 92 CO 0.12 -0.03 0.38 0.20 -2.12 0.00 0.00 175.29 173.83 1l5i s GLY 93 N 0.65 1.90 -0.39 3.09 0.00 -1.26 -0.66 107.32 110.65 1l5i s GLY 93 Ca -0.08 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.09 1l5i s GLY 93 CO -0.00 1.03 0.84 0.00 0.00 0.00 0.00 173.10 174.97 1l5i s ALA 94 N 2.03 3.38 0.00 3.20 0.00 -0.34 -4.99 121.76 125.04 1l5i s ALA 94 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1l5i s ALA 94 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1l5i s ALA 94 CO 0.12 -1.65 0.00 1.63 0.00 0.00 0.00 175.76 175.86 1l5i n LYS 95 N 6.66 0.00 -5.10 0.00 5.02 -1.26 -4.13 118.16 119.35 1l5i n LYS 95 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1l5i n LYS 95 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.34 1l5i n LYS 95 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1l5i s SER 96 N -2.01 2.91 0.00 4.39 0.15 -1.26 -4.82 113.70 113.06 1l5i s SER 96 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1l5i s SER 96 Cb 0.00 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1l5i s SER 96 CO 0.00 0.28 0.00 -1.20 1.20 0.00 0.00 173.24 173.52 1l5i n SER 97 N 2.25 0.00 -0.01 5.45 7.64 -1.26 -4.97 113.62 122.72 1l5i n SER 97 Ca -0.16 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.87 1l5i n SER 97 Cb 0.52 0.00 0.73 0.00 -1.01 0.00 0.00 64.21 64.45 1l5i n SER 97 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1l5i n SER 98 N 0.00 0.05 -0.19 6.43 3.41 -1.26 -3.72 113.62 118.33 1l5i n SER 98 Ca 0.00 -0.14 0.29 0.00 -0.26 0.00 0.00 58.87 58.76 1l5i n SER 98 Cb 0.00 -0.27 0.59 0.00 -0.26 0.00 0.00 64.21 64.27 1l5i n SER 98 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1l5i h ASP 99 N 0.05 0.00 -0.32 4.04 1.82 -1.97 2.12 116.42 122.15 1l5i h ASP 99 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1l5i h ASP 99 Cb 0.31 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1l5i h ASP 99 CO 0.00 0.00 -0.14 -0.37 -1.61 0.00 0.00 179.24 177.12 1l5i h VAL 100 N 0.00 1.29 -0.35 2.25 -1.51 -1.99 -1.60 116.25 114.33 1l5i h VAL 100 Ca 0.47 -1.24 0.03 0.00 -1.23 0.00 0.00 66.70 64.73 1l5i h VAL 100 Cb 2.47 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 33.00 1l5i h VAL 100 CO -0.00 0.40 0.15 0.50 -1.23 0.00 0.00 177.57 177.39 1l5i h LYS 101 N 0.43 0.31 -0.22 5.19 3.11 0.32 0.50 116.57 126.21 1l5i h LYS 101 Ca 0.07 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1l5i h LYS 101 Cb 0.67 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1l5i h LYS 101 CO 0.04 0.21 0.04 0.77 -2.81 0.00 0.00 179.45 177.70 1l5i h SER 102 N 0.32 0.02 -0.40 4.20 0.02 -1.34 0.24 113.55 116.61 1l5i h SER 102 Ca 0.15 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1l5i h SER 102 Cb 0.10 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1l5i h SER 102 CO -0.13 0.04 0.13 0.22 -1.14 0.00 0.00 176.83 175.95 1l5i h TYR 103 N 0.13 0.68 -0.10 3.45 3.20 -0.69 -0.73 116.97 122.91 1l5i h TYR 103 Ca 0.10 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 1l5i h TYR 103 Cb 0.09 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1l5i h TYR 103 CO -0.14 0.57 -0.43 0.82 -1.64 0.00 0.00 178.16 177.34 1l5i h ILE 104 N 0.66 1.32 0.00 1.81 2.04 0.87 -2.31 117.51 121.89 1l5i h ILE 104 Ca 0.15 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.35 1l5i h ILE 104 Cb 0.21 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1l5i h ILE 104 CO -0.01 0.47 -0.48 -0.78 0.00 0.00 0.00 178.15 177.35 1l5i h ASP 105 N 0.19 0.00 0.00 1.72 3.58 0.43 -3.35 116.42 118.99 1l5i h ASP 105 Ca 0.02 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.85 1l5i h ASP 105 Cb 0.84 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.91 1l5i h ASP 105 CO 0.07 0.48 2.65 0.29 -2.88 0.00 0.00 179.24 179.84 1l5i n LYS 106 N -3.52 2.06 -2.08 0.28 5.02 -0.38 -4.90 118.16 114.65 1l5i n LYS 106 Ca -0.00 -1.97 -0.27 0.00 -2.02 0.00 0.00 58.31 54.04 1l5i n LYS 106 Cb 0.59 -2.91 0.07 0.00 -0.02 0.00 0.00 35.03 32.76 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l5i s ASP 107 N 4.12 4.77 0.00 4.39 1.11 -1.26 -5.00 116.67 124.80 1l5i s ASP 107 Ca 0.52 0.64 0.00 0.00 0.18 0.00 0.00 52.55 53.89 1l5i s ASP 107 Cb 0.14 -1.25 0.00 0.00 1.07 0.00 0.00 42.92 42.88 1l5i s ASP 107 CO 0.03 -1.68 0.00 0.61 1.18 0.00 0.00 175.17 175.31 1l5i n GLY 108 N -3.06 0.42 2.84 0.21 0.00 -1.26 -4.95 105.19 99.39 1l5i n GLY 108 Ca 0.08 0.33 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.84 -4.71 1.61 9.92 -1.26 -4.81 116.55 111.46 1l5i n ASP 109 Ca 0.00 -0.23 -0.23 0.00 -0.53 0.00 0.00 54.79 53.80 1l5i n ASP 109 Cb 0.00 -4.70 -0.06 0.00 -0.64 0.00 0.00 41.12 35.72 1l5i n ASP 109 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1l5i s VAL 110 N -3.12 3.20 0.00 2.53 -7.23 -1.26 -4.67 120.40 109.85 1l5i s VAL 110 Ca 0.24 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1l5i s VAL 110 Cb -0.10 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1l5i s VAL 110 CO 0.29 -0.24 0.06 -0.22 -0.31 0.00 0.00 175.10 174.68 1l5i s LEU 111 N -3.80 3.80 -0.06 1.32 0.20 -0.39 -5.02 118.68 114.74 1l5i s LEU 111 Ca 0.36 0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.30 1l5i s LEU 111 Cb -0.04 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.51 1l5i s LEU 111 CO 0.22 0.27 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.83 1l5i s GLU 112 N -1.75 1.48 0.01 1.98 8.01 -1.26 -2.27 118.70 124.89 1l5i s GLU 112 Ca 0.23 -0.36 0.01 0.00 0.01 0.00 0.00 54.97 54.86 1l5i s GLU 112 Cb -0.12 -1.26 -0.01 0.00 -4.31 0.00 0.00 34.13 28.43 1l5i s GLU 112 CO 0.14 0.03 -0.04 -0.46 0.01 0.00 0.00 175.26 174.93 1l5i s TRP 113 N 0.63 0.36 0.03 1.61 -0.00 -0.50 -5.03 118.94 116.05 1l5i s TRP 113 Ca -0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 56.10 55.78 1l5i s TRP 113 Cb -0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 33.47 33.09 1l5i s TRP 113 CO 0.03 -0.04 0.00 0.41 -0.00 0.00 0.00 176.95 177.35 1l5i n GLY 114 N 2.55 -1.93 3.06 5.86 0.00 -1.26 -0.06 105.19 113.41 1l5i n GLY 114 Ca -0.16 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.46 1.78 0.45 2.61 2.01 -1.06 -4.79 115.64 116.19 1l5i s THR 115 Ca 0.00 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 1l5i s THR 115 Cb 0.00 -1.65 -0.10 0.00 0.01 0.00 0.00 72.50 70.76 1l5i s THR 115 CO 0.00 0.48 0.96 0.12 -0.69 0.00 0.00 174.62 175.49 1l5i s PHE 116 N 1.40 3.32 -0.51 4.92 5.36 -1.26 -4.17 117.98 127.04 1l5i s PHE 116 Ca 0.05 1.57 -0.17 0.00 -0.96 0.00 0.00 56.93 57.42 1l5i s PHE 116 Cb -0.13 -2.85 0.09 0.00 -0.34 0.00 0.00 43.02 39.79 1l5i s PHE 116 CO -0.12 -0.22 0.49 -0.65 -1.46 0.00 0.00 175.22 173.27 1l5i s GLN 117 N -3.40 3.02 -0.37 10.12 -1.52 -1.26 -5.03 119.66 121.22 1l5i s GLN 117 Ca 0.62 -1.34 -0.29 0.00 -1.95 0.00 0.00 55.36 52.39 1l5i s GLN 117 Cb -0.10 -4.18 0.02 0.00 -0.22 0.00 0.00 33.01 28.53 1l5i s GLN 117 CO 0.18 -1.19 1.13 0.42 -0.25 0.00 0.00 175.29 175.58 1l5i s ILE 118 N 1.93 4.35 0.27 1.08 -1.09 -1.26 -4.96 121.20 121.52 1l5i s ILE 118 Ca 0.07 1.51 -0.21 0.00 -2.23 0.00 0.00 60.65 59.78 1l5i s ILE 118 Cb -0.25 -4.44 0.02 0.00 -1.58 0.00 0.00 42.46 36.22 1l5i s ILE 118 CO 0.07 -0.65 0.72 1.51 -1.23 0.00 0.00 174.94 175.36 1l5i s ASP 119 N 2.10 -0.27 0.00 3.58 1.47 -1.26 -5.18 116.67 117.11 1l5i s ASP 119 Ca 0.48 -0.57 0.00 0.00 1.18 0.00 0.00 52.55 53.64 1l5i s ASP 119 Cb -0.11 0.71 0.00 0.00 -0.34 0.00 0.00 42.92 43.18 1l5i s ASP 119 CO 0.22 -1.32 0.00 0.61 0.68 0.00 0.00 175.17 175.36 1l5i n GLY 120 N -0.46 -0.72 0.56 2.12 0.00 -1.26 -4.80 105.19 100.64 1l5i n GLY 120 Ca -0.05 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.69 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19