#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5i s GLY 5 N 0.00 -0.40 -0.14 0.23 0.00 -1.26 -5.15 107.32 100.60 1l5i s GLY 5 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1l5i s GLY 5 CO 0.00 0.50 -0.12 -1.60 0.00 0.00 0.00 173.10 171.89 1l5i s ARG 6 N -1.59 2.03 -0.61 2.90 3.52 -1.26 -5.08 118.95 118.85 1l5i s ARG 6 Ca -0.10 -0.45 -0.28 0.00 -0.13 0.00 0.00 55.73 54.77 1l5i s ARG 6 Cb -0.02 -1.93 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1l5i s ARG 6 CO 0.05 -0.25 1.41 0.12 -0.81 0.00 0.00 175.30 175.82 1l5i s PHE 7 N 1.56 2.25 -0.20 5.12 5.36 -1.26 -4.95 117.98 125.86 1l5i s PHE 7 Ca 0.05 0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 56.37 1l5i s PHE 7 Cb -0.13 -4.43 0.06 0.00 -0.34 0.00 0.00 43.02 38.18 1l5i s PHE 7 CO -0.10 -2.00 0.01 0.45 -1.46 0.00 0.00 175.22 172.11 1l5i s SER 8 N 4.50 3.12 -0.13 6.13 0.15 -1.26 -4.11 113.70 122.10 1l5i s SER 8 Ca 0.49 -0.89 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1l5i s SER 8 Cb -0.10 -0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1l5i s SER 8 CO 0.22 -0.28 -0.00 -0.63 1.20 0.00 0.00 173.24 173.75 1l5i s ILE 9 N 1.73 4.22 -0.20 6.45 1.01 -1.14 -4.91 121.20 128.36 1l5i s ILE 9 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 1l5i s ILE 9 Cb -0.17 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.53 1l5i s ILE 9 CO -0.07 0.53 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1l5i s LYS 10 N -0.13 0.68 0.15 2.79 1.02 -1.26 0.80 119.74 123.79 1l5i s LYS 10 Ca 0.04 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 1l5i s LYS 10 Cb -0.13 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1l5i s LYS 10 CO 0.02 -0.65 0.75 0.00 -0.92 0.00 0.00 175.35 174.54 1l5i s ALA 11 N 1.84 -1.57 -0.15 5.17 0.00 -1.00 -4.97 121.76 121.08 1l5i s ALA 11 Ca -0.01 0.37 0.17 0.00 0.00 0.00 0.00 51.96 52.50 1l5i s ALA 11 Cb -0.17 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.61 1l5i s ALA 11 CO -0.09 -0.85 0.99 -0.22 0.00 0.00 0.00 175.76 175.59 1l5i h LYS 12 N 2.00 0.00 -5.66 0.00 3.64 -1.85 -1.55 116.57 113.14 1l5i h LYS 12 Ca -0.26 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.45 1l5i h LYS 12 Cb 1.27 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.83 1l5i h LYS 12 CO 0.31 0.29 -0.77 -0.80 -2.27 0.00 0.00 179.45 176.22 1l5i s ASN 13 N -5.88 4.01 -0.02 4.20 0.01 -1.26 -2.20 114.94 113.81 1l5i s ASN 13 Ca -0.01 -0.28 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 1l5i s ASN 13 Cb 0.08 -1.35 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 1l5i s ASN 13 CO 0.79 0.23 -0.13 -0.31 -1.51 0.00 0.00 177.10 176.17 1l5i s TYR 14 N -0.02 1.23 -0.13 2.20 2.02 -0.63 -2.15 117.35 119.87 1l5i s TYR 14 Ca -0.03 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1l5i s TYR 14 Cb -0.14 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 1l5i s TYR 14 CO 0.04 -0.06 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.67 1l5i s PHE 15 N -0.15 2.63 -0.18 2.71 0.40 0.73 -1.66 117.98 122.46 1l5i s PHE 15 Ca 0.02 -1.26 -0.07 0.00 -0.60 0.00 0.00 56.93 55.03 1l5i s PHE 15 Cb -0.07 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1l5i s PHE 15 CO 0.00 -0.56 0.04 -0.51 0.70 0.00 0.00 175.22 174.90 1l5i s LEU 16 N 0.68 3.69 -0.20 -0.37 2.01 -0.49 -1.56 118.68 122.44 1l5i s LEU 16 Ca -0.11 0.03 0.01 0.00 0.01 0.00 0.00 54.13 54.07 1l5i s LEU 16 Cb -0.16 -1.93 0.03 0.00 0.01 0.00 0.00 46.19 44.14 1l5i s LEU 16 CO 0.01 0.16 -0.18 -0.89 1.01 0.00 0.00 176.35 176.47 1l5i s THR 17 N 0.44 2.10 -0.40 5.49 2.01 -1.06 -2.21 115.64 122.02 1l5i s THR 17 Ca 0.02 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.89 1l5i s THR 17 Cb -0.13 -1.96 0.09 0.00 0.01 0.00 0.00 72.50 70.52 1l5i s THR 17 CO 0.01 0.42 0.20 -0.31 -0.69 0.00 0.00 174.62 174.24 1l5i s TYR 18 N 1.25 3.47 0.32 4.92 1.51 -1.04 -2.28 117.35 125.50 1l5i s TYR 18 Ca 0.02 -2.08 -0.28 0.00 -1.01 0.00 0.00 57.07 53.72 1l5i s TYR 18 Cb -0.15 -3.01 -0.09 0.00 -0.11 0.00 0.00 41.96 38.60 1l5i s TYR 18 CO -0.11 -0.92 1.07 -1.25 -1.11 0.00 0.00 175.55 173.23 1l5i s PRO 19 N 1.24 4.50 -1.23 -1.71 0.04 -1.26 -2.41 135.00 134.17 1l5i s PRO 19 Ca 0.05 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1l5i s PRO 19 Cb -0.23 -2.98 0.16 0.00 0.04 0.00 0.00 34.50 31.49 1l5i s PRO 19 CO -0.02 0.12 0.39 0.36 0.04 0.00 0.00 177.00 177.89 1l5i n LYS 20 N 0.79 -1.30 -3.26 4.56 2.85 0.01 -4.82 118.16 116.99 1l5i n LYS 20 Ca 0.01 0.09 -0.40 0.00 -1.05 0.00 0.00 58.31 56.96 1l5i n LYS 20 Cb 0.47 -4.16 -0.08 0.00 -0.65 0.00 0.00 35.03 30.61 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1l5i n ASP 22 N 5.56 1.54 -4.74 0.00 8.00 -1.26 -4.46 116.55 121.19 1l5i n ASP 22 Ca -0.05 -2.06 -0.41 0.00 0.71 0.00 0.00 54.79 52.98 1l5i n ASP 22 Cb 0.50 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1l5i s LEU 23 N -0.98 4.44 0.59 0.64 2.96 -1.26 -5.02 118.68 120.05 1l5i s LEU 23 Ca 0.16 2.33 -0.07 0.00 -0.22 0.00 0.00 54.13 56.33 1l5i s LEU 23 Cb 0.09 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1l5i s LEU 23 CO 0.10 -0.44 0.92 0.42 -1.32 0.00 0.00 176.35 176.03 1l5i s THR 24 N -0.07 3.89 0.26 3.68 -4.23 -1.26 -4.94 115.64 112.97 1l5i s THR 24 Ca 0.54 0.16 0.15 0.00 -1.18 0.00 0.00 61.69 61.36 1l5i s THR 24 Cb -0.35 -3.55 0.08 0.00 1.34 0.00 0.00 72.50 70.03 1l5i s THR 24 CO 0.38 -0.59 1.73 0.07 -0.54 0.00 0.00 174.62 175.67 1l5i h LYS 25 N -0.19 0.00 -0.07 3.99 2.10 -1.96 -1.21 116.57 119.22 1l5i h LYS 25 Ca -0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1l5i h LYS 25 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1l5i h LYS 25 CO 0.61 0.44 0.01 0.93 -2.00 0.00 0.00 179.45 179.45 1l5i h GLU 26 N 0.00 0.11 -0.36 0.07 5.08 -1.97 1.60 114.58 119.11 1l5i h GLU 26 Ca -0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1l5i h GLU 26 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1l5i h GLU 26 CO 0.06 0.34 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.46 1l5i h ASN 27 N -0.13 0.66 0.14 1.42 -0.26 -1.93 0.19 115.58 115.67 1l5i h ASN 27 Ca 0.02 -0.34 -0.10 0.00 -0.56 0.00 0.00 56.30 55.33 1l5i h ASN 27 Cb 0.28 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1l5i h ASN 27 CO 0.00 0.83 -0.35 0.00 -1.06 0.00 0.00 177.43 176.86 1l5i h ALA 28 N 0.84 1.14 -0.23 -0.83 0.00 -1.14 0.33 119.26 119.36 1l5i h ALA 28 Ca 0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1l5i h ALA 28 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1l5i h ALA 28 CO 0.03 0.56 -0.17 1.25 0.00 0.00 0.00 179.25 180.92 1l5i h LEU 29 N 0.26 0.55 -0.29 0.00 7.12 0.27 0.58 115.31 123.79 1l5i h LEU 29 Ca 0.03 -0.44 -0.08 0.00 0.13 0.00 0.00 57.88 57.51 1l5i h LEU 29 Cb 0.74 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1l5i h LEU 29 CO 0.06 0.88 -0.15 -1.28 -0.13 0.00 0.00 178.44 177.82 1l5i h SER 30 N 0.23 0.64 -0.10 1.25 0.87 -0.39 0.62 113.55 116.67 1l5i h SER 30 Ca 0.05 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1l5i h SER 30 Cb 0.69 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1l5i h SER 30 CO 0.04 0.91 0.00 1.56 -0.53 0.00 0.00 176.83 178.82 1l5i h GLN 31 N 0.37 0.17 -0.33 2.24 4.20 -0.33 0.41 115.11 121.85 1l5i h GLN 31 Ca 0.06 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1l5i h GLN 31 Cb 0.67 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1l5i h GLN 31 CO 0.04 0.42 0.07 0.82 -0.67 0.00 0.00 178.83 179.51 1l5i h ILE 32 N -0.09 1.23 -0.42 2.54 1.08 0.17 0.51 117.51 122.52 1l5i h ILE 32 Ca 0.03 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 1l5i h ILE 32 Cb 0.34 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1l5i h ILE 32 CO 0.00 0.26 0.11 0.74 -0.69 0.00 0.00 178.15 178.57 1l5i h THR 33 N 0.37 1.18 -0.00 -0.27 2.02 0.33 -0.21 112.91 116.33 1l5i h THR 33 Ca 0.10 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1l5i h THR 33 Cb 0.32 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1l5i h THR 33 CO 0.00 0.24 -0.23 0.59 0.37 0.00 0.00 175.52 176.49 1l5i n ASN 34 N -4.33 0.33 -4.65 4.18 3.02 0.14 -4.79 115.26 109.16 1l5i n ASN 34 Ca 0.03 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 1l5i n ASN 34 Cb 0.19 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1l5i n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1l5i s LEU 35 N -2.88 4.13 0.62 3.41 1.02 0.17 -5.01 118.68 120.15 1l5i s LEU 35 Ca 0.16 1.65 -0.09 0.00 0.02 0.00 0.00 54.13 55.87 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 0.59 -0.84 0.99 0.00 0.02 0.00 0.00 176.35 177.10 1l5i s GLN 36 N 3.69 3.18 0.08 1.70 -2.07 -1.26 -4.96 119.66 120.03 1l5i s GLN 36 Ca 0.57 0.40 -0.09 0.00 -1.82 0.00 0.00 55.36 54.42 1l5i s GLN 36 Cb -0.22 -2.15 -0.00 0.00 -1.09 0.00 0.00 33.01 29.56 1l5i s GLN 36 CO 0.17 -0.71 0.19 -0.08 -1.32 0.00 0.00 175.29 173.55 1l5i s THR 37 N -3.14 0.14 -1.65 3.63 -1.32 -1.26 -5.02 115.64 107.02 1l5i s THR 37 Ca 0.55 -1.14 0.23 0.00 -1.21 0.00 0.00 61.69 60.12 1l5i s THR 37 Cb -0.11 -1.27 0.51 0.00 -1.51 0.00 0.00 72.50 70.12 1l5i s THR 37 CO 0.50 -0.63 1.77 -0.81 -2.21 0.00 0.00 174.62 173.24 1l5i n PRO 38 N 0.06 0.49 0.00 7.08 -0.04 -1.26 -4.59 135.00 136.74 1l5i n PRO 38 Ca -0.16 0.04 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 -1.18 0.00 -3.63 0.52 5.66 -1.26 -5.11 114.28 109.28 1l5i n THR 39 Ca 0.14 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.06 1l5i n THR 39 Cb 0.14 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.65 -0.34 -0.17 1.09 2.47 -1.26 -5.00 114.94 112.39 1l5i s ASN 40 Ca 0.00 0.61 -0.19 0.00 0.42 0.00 0.00 52.86 53.70 1l5i s ASN 40 Cb 0.00 0.60 -0.03 0.00 -1.45 0.00 0.00 41.25 40.37 1l5i s ASN 40 CO 0.00 -0.14 0.54 -0.54 -3.72 0.00 0.00 177.10 173.24 1l5i s LYS 41 N -0.03 4.24 -0.21 0.43 1.02 -1.26 -1.66 119.74 122.27 1l5i s LYS 41 Ca 0.04 0.48 -0.16 0.00 0.02 0.00 0.00 55.97 56.35 1l5i s LYS 41 Cb -0.04 -3.53 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1l5i s LYS 41 CO -0.07 -0.09 -0.35 -0.11 -0.92 0.00 0.00 175.35 173.81 1l5i n LEU 42 N 4.54 1.92 -4.08 3.17 7.94 -0.71 -4.87 117.00 124.90 1l5i n LEU 42 Ca -0.04 0.33 -0.11 0.00 -1.11 0.00 0.00 56.01 55.08 1l5i n LEU 42 Cb 0.51 -0.76 -0.11 0.00 0.53 0.00 0.00 43.42 43.59 1l5i n LEU 42 CO 0.43 0.05 -0.38 0.12 -1.11 0.00 0.00 177.39 176.49 1l5i s PHE 43 N -2.74 0.65 -0.08 1.96 5.36 -1.09 -1.22 117.98 120.81 1l5i s PHE 43 Ca -0.32 -0.70 -0.02 0.00 -0.96 0.00 0.00 56.93 54.93 1l5i s PHE 43 Cb 0.08 -0.40 0.04 0.00 -0.34 0.00 0.00 43.02 42.40 1l5i s PHE 43 CO 0.44 -0.16 0.04 0.42 -1.46 0.00 0.00 175.22 174.51 1l5i s ILE 44 N -2.37 0.08 -0.18 3.12 1.01 -0.33 -2.08 121.20 120.46 1l5i s ILE 44 Ca -0.03 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1l5i s ILE 44 Cb -0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1l5i s ILE 44 CO -0.03 0.12 -0.04 -0.75 0.00 0.00 0.00 174.94 174.24 1l5i s LYS 45 N 2.09 3.52 -0.16 2.79 2.47 0.78 -1.89 119.74 129.32 1l5i s LYS 45 Ca 0.04 -0.58 -0.00 0.00 -1.56 0.00 0.00 55.97 53.87 1l5i s LYS 45 Cb -0.13 -2.95 0.04 0.00 -1.46 0.00 0.00 37.83 33.33 1l5i s LYS 45 CO -0.05 0.03 -0.06 0.42 0.16 0.00 0.00 175.35 175.86 1l5i s ILE 46 N 0.89 1.14 -0.01 5.43 1.01 -1.00 0.15 121.20 128.82 1l5i s ILE 46 Ca -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1l5i s ILE 46 Cb -0.15 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1l5i s ILE 46 CO 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 174.94 174.98 1l5i s ARG 48 N -0.25 3.59 0.04 0.00 3.52 -1.26 0.29 118.95 124.88 1l5i s ARG 48 Ca 0.04 -0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 1l5i s ARG 48 Cb -0.06 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1l5i s ARG 48 CO -0.00 0.57 -0.02 -2.00 -0.81 0.00 0.00 175.30 173.04 1l5i s GLU 49 N -2.19 0.54 -0.05 5.12 2.56 0.52 -4.88 118.70 120.32 1l5i s GLU 49 Ca 0.34 -1.04 0.04 0.00 0.00 0.00 0.00 54.97 54.31 1l5i s GLU 49 Cb -0.13 0.19 -0.00 0.00 2.00 0.00 0.00 34.13 36.19 1l5i s GLU 49 CO 0.21 -0.10 -0.16 -0.51 -0.56 0.00 0.00 175.26 174.14 1l5i s LEU 50 N -2.51 1.89 0.29 2.70 2.01 -1.26 -0.89 118.68 120.91 1l5i s LEU 50 Ca 0.01 -0.34 -0.02 0.00 0.01 0.00 0.00 54.13 53.78 1l5i s LEU 50 Cb 0.03 -0.94 -0.04 0.00 0.01 0.00 0.00 46.19 45.25 1l5i s LEU 50 CO -0.07 0.14 0.52 -1.00 1.01 0.00 0.00 176.35 176.94 1l5i s HIS 51 N 0.11 3.49 -1.31 0.29 3.76 -0.86 -4.93 115.29 115.84 1l5i s HIS 51 Ca -0.05 0.49 0.24 0.00 -0.15 0.00 0.00 55.06 55.58 1l5i s HIS 51 Cb -0.12 -1.99 1.15 0.00 1.11 0.00 0.00 32.58 32.73 1l5i s HIS 51 CO 0.02 0.19 1.78 -1.91 -0.85 0.00 0.00 174.74 173.97 1l5i n GLU 52 N -1.17 0.24 0.00 1.40 0.00 -1.26 -2.21 120.64 117.64 1l5i n GLU 52 Ca -0.03 0.07 0.15 0.00 0.00 0.00 0.00 57.16 57.35 1l5i n GLU 52 Cb 0.55 -1.50 0.74 0.00 0.00 0.00 0.00 31.44 31.22 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1l5i n ASN 53 N -1.35 0.59 0.00 4.31 3.02 -1.26 -4.86 115.26 115.71 1l5i n ASN 53 Ca 0.10 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1l5i n ASN 53 Cb 0.21 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.12 0.80 3.65 7.41 0.00 -0.94 -5.02 105.19 112.22 1l5i n GLY 54 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.24 4.11 0.05 1.61 -1.05 -1.26 -4.94 118.70 116.98 1l5i s GLU 55 Ca 0.00 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 1l5i s GLU 55 Cb 0.00 -3.56 -0.05 0.00 -0.44 0.00 0.00 34.13 30.08 1l5i s GLU 55 CO 0.00 -0.06 1.17 -1.25 0.95 0.00 0.00 175.26 176.07 1l5i s PRO 56 N 1.38 4.45 0.18 -4.83 0.04 -1.26 -2.02 135.00 132.94 1l5i s PRO 56 Ca 0.15 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.00 1l5i s PRO 56 Cb -0.15 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1l5i s PRO 56 CO 0.07 -0.23 -0.21 -1.58 0.04 0.00 0.00 177.00 175.10 1l5i s HIS 57 N 1.06 2.04 0.01 0.56 2.46 -0.07 -0.17 115.29 121.18 1l5i s HIS 57 Ca 0.58 -0.42 0.03 0.00 0.47 0.00 0.00 55.06 55.72 1l5i s HIS 57 Cb -0.28 -1.00 -0.01 0.00 -0.13 0.00 0.00 32.58 31.15 1l5i s HIS 57 CO 0.29 0.42 -0.10 -1.17 -2.47 0.00 0.00 174.74 171.71 1l5i s LEU 58 N -2.73 2.06 0.00 8.88 0.20 -1.01 -0.36 118.68 125.73 1l5i s LEU 58 Ca 0.19 -0.25 0.07 0.00 0.69 0.00 0.00 54.13 54.83 1l5i s LEU 58 Cb -0.07 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 1l5i s LEU 58 CO 0.08 0.07 -0.21 -1.00 -0.29 0.00 0.00 176.35 175.01 1l5i s HIS 59 N -0.42 2.48 -0.03 5.38 3.76 0.15 -2.51 115.29 124.09 1l5i s HIS 59 Ca 0.02 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 1l5i s HIS 59 Cb -0.05 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.15 1l5i s HIS 59 CO -0.00 0.12 0.08 0.42 -0.85 0.00 0.00 174.74 174.51 1l5i s ILE 60 N -0.76 -0.01 -0.17 0.60 1.01 -0.94 -0.60 121.20 120.34 1l5i s ILE 60 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 1l5i s ILE 60 Cb -0.10 -0.12 0.06 0.00 0.01 0.00 0.00 42.46 42.30 1l5i s ILE 60 CO 0.02 0.01 0.06 -0.22 0.00 0.00 0.00 174.94 174.80 1l5i s LEU 61 N 0.16 0.73 0.10 2.97 1.98 0.12 -1.39 118.68 123.35 1l5i s LEU 61 Ca -0.01 -0.64 0.08 0.00 -2.89 0.00 0.00 54.13 50.67 1l5i s LEU 61 Cb -0.02 -0.41 -0.04 0.00 0.66 0.00 0.00 46.19 46.38 1l5i s LEU 61 CO -0.00 -0.32 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.37 1l5i s ILE 62 N 2.00 3.08 -0.11 6.68 1.01 -0.66 -0.16 121.20 133.04 1l5i s ILE 62 Ca 0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 1l5i s ILE 62 Cb -0.16 -2.41 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1l5i s ILE 62 CO -0.08 0.14 0.02 0.00 0.00 0.00 0.00 174.94 175.02 1l5i s GLN 63 N -2.08 0.56 0.35 2.79 1.03 -0.88 -1.60 119.66 119.83 1l5i s GLN 63 Ca 0.19 -0.03 -0.04 0.00 0.04 0.00 0.00 55.36 55.52 1l5i s GLN 63 Cb -0.11 -1.31 -0.05 0.00 0.03 0.00 0.00 33.01 31.58 1l5i s GLN 63 CO 0.11 -0.42 0.62 -0.06 -2.54 0.00 0.00 175.29 173.00 1l5i s PHE 64 N 1.96 3.50 0.41 9.60 0.40 -0.93 -1.74 117.98 131.18 1l5i s PHE 64 Ca 0.03 0.65 0.08 0.00 -0.60 0.00 0.00 56.93 57.10 1l5i s PHE 64 Cb -0.14 -2.13 0.88 0.00 0.51 0.00 0.00 43.02 42.14 1l5i s PHE 64 CO -0.06 0.05 2.05 1.49 0.70 0.00 0.00 175.22 179.44 1l5i h GLU 65 N 1.15 0.46 -5.67 0.44 4.22 -1.65 -3.43 114.58 110.10 1l5i h GLU 65 Ca -0.48 -0.04 -0.47 0.00 0.08 0.00 0.00 59.36 58.45 1l5i h GLU 65 Cb 1.20 -0.10 -0.16 0.00 0.50 0.00 0.00 28.75 30.19 1l5i h GLU 65 CO 0.64 0.34 -0.75 0.20 -2.18 0.00 0.00 179.01 177.25 1l5i s GLY 66 N -3.77 1.39 0.03 1.92 0.00 -1.26 -5.05 107.32 100.58 1l5i s GLY 66 Ca -0.08 -1.58 -0.31 0.00 0.00 0.00 0.00 44.72 42.75 1l5i s GLY 66 CO 0.73 -1.66 1.93 0.28 0.00 0.00 0.00 173.10 174.38 1l5i n LYS 67 N -0.10 2.72 -3.91 2.90 5.02 -1.26 -4.76 118.16 118.77 1l5i n LYS 67 Ca -0.10 1.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.83 1l5i n LYS 67 Cb 0.59 -2.92 -0.06 0.00 -0.02 0.00 0.00 35.03 32.62 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 4.07 3.56 -0.42 2.13 5.04 -0.59 -4.88 117.35 126.27 1l5i s TYR 68 Ca 0.88 0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 1l5i s TYR 68 Cb -0.49 -1.88 0.04 0.00 0.35 0.00 0.00 41.96 39.97 1l5i s TYR 68 CO 0.43 0.69 0.31 1.21 -1.34 0.00 0.00 175.55 176.85 1l5i s ASN 69 N -1.43 6.03 -1.01 4.32 3.04 -1.26 -2.37 114.94 122.27 1l5i s ASN 69 Ca 0.20 -1.07 -0.02 0.00 0.04 0.00 0.00 52.86 52.01 1l5i s ASN 69 Cb -0.12 -2.13 0.30 0.00 -1.54 0.00 0.00 41.25 37.76 1l5i s ASN 69 CO 0.10 -0.50 1.42 0.00 -3.04 0.00 0.00 177.10 175.09 1l5i n THR 71 N 1.05 2.77 -3.47 0.00 5.66 -1.26 -2.89 114.28 116.14 1l5i n THR 71 Ca 0.29 -1.59 0.01 0.00 -3.05 0.00 0.00 64.05 59.71 1l5i n THR 71 Cb 0.33 -0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.42 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 -0.80 -1.06 -0.24 1.09 2.47 -1.26 -4.72 114.94 110.42 1l5i s ASN 72 Ca 0.45 1.22 -0.02 0.00 0.42 0.00 0.00 52.86 54.93 1l5i s ASN 72 Cb 0.37 2.11 0.08 0.00 -1.45 0.00 0.00 41.25 42.36 1l5i s ASN 72 CO 0.07 -0.20 2.37 0.00 -3.72 0.00 0.00 177.10 175.62 1l5i n GLN 73 N 5.36 1.77 -0.00 0.43 6.02 -1.26 -3.58 117.38 126.11 1l5i n GLN 73 Ca -0.09 -1.31 0.02 0.00 -0.01 0.00 0.00 57.00 55.60 1l5i n GLN 73 Cb 0.50 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 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 0.36 0.07 -1.09 1.74 -1.26 -4.45 116.66 112.99 1l5i n ARG 74 Ca 0.29 -0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 57.13 1l5i n ARG 74 Cb 0.60 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.99 -0.28 -1.55 3.57 -2.00 -3.13 116.94 114.53 1l5i h PHE 75 Ca -0.01 -0.57 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1l5i h PHE 75 Cb 0.25 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1l5i h PHE 75 CO 0.00 1.41 0.00 1.19 -2.23 0.00 0.00 178.31 178.68 1l5i n PHE 76 N -3.81 0.51 -1.95 0.41 3.72 -1.26 -4.86 117.46 110.21 1l5i n PHE 76 Ca -0.12 -0.22 -0.43 0.00 -0.05 0.00 0.00 57.45 56.63 1l5i n PHE 76 Cb 0.93 -0.07 -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 -0.82 5.93 -0.10 4.37 1.01 -1.19 -4.45 116.67 121.42 1l5i s ASP 77 Ca 0.20 1.49 -0.02 0.00 0.71 0.00 0.00 52.55 54.94 1l5i s ASP 77 Cb 0.12 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1l5i s ASP 77 CO 0.12 -1.64 -0.03 -0.76 0.21 0.00 0.00 175.17 173.06 1l5i s LEU 78 N 6.71 3.37 0.27 1.23 1.43 -0.98 -4.98 118.68 125.72 1l5i s LEU 78 Ca 0.82 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 1l5i s LEU 78 Cb -0.25 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1l5i s LEU 78 CO 0.33 0.31 -0.07 0.68 0.23 0.00 0.00 176.35 177.83 1l5i s VAL 79 N -0.48 1.66 -0.29 -1.59 -7.23 -1.26 0.30 120.40 111.51 1l5i s VAL 79 Ca 0.08 -2.14 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 1l5i s VAL 79 Cb -0.12 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1l5i s VAL 79 CO 0.02 -0.35 0.82 -0.55 -0.31 0.00 0.00 175.10 174.73 1l5i s SER 80 N -3.42 6.72 0.00 4.85 0.15 -0.00 -4.90 113.70 117.10 1l5i s SER 80 Ca 0.28 0.78 0.23 0.00 0.70 0.00 0.00 55.95 57.94 1l5i s SER 80 Cb 0.03 -2.42 1.24 0.00 -1.71 0.00 0.00 66.02 63.16 1l5i s SER 80 CO 0.11 -0.61 1.76 -0.81 1.20 0.00 0.00 173.24 174.89 1l5i n PRO 81 N 6.20 0.46 -0.01 5.44 -0.04 -1.26 -2.55 135.00 143.25 1l5i n PRO 81 Ca 0.05 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1l5i n PRO 81 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.19 0.06 -4.23 0.52 -2.24 -1.26 -5.01 114.28 100.93 1l5i n THR 82 Ca 0.13 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1l5i n THR 82 Cb 0.15 0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.57 0.65 -1.10 -0.78 3.52 -1.06 -5.03 118.95 112.58 1l5i s ARG 83 Ca -0.03 -0.51 -0.08 0.00 -0.13 0.00 0.00 55.73 54.98 1l5i s ARG 83 Cb 0.05 -0.59 -0.09 0.00 -1.56 0.00 0.00 34.95 32.76 1l5i s ARG 83 CO 0.36 0.15 2.65 0.43 -0.81 0.00 0.00 175.30 178.08 1l5i n SER 84 N 2.28 6.61 -4.02 -2.12 7.64 -1.26 -3.84 113.62 118.90 1l5i n SER 84 Ca -0.17 -2.43 -0.22 0.00 1.01 0.00 0.00 58.87 57.06 1l5i n SER 84 Cb 0.56 -1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 62.29 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 2.52 1.03 0.03 -0.43 0.00 -1.26 -5.04 121.76 118.61 1l5i s ALA 85 Ca 0.56 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1l5i s ALA 85 Cb 0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1l5i s ALA 85 CO -0.04 0.15 0.09 -1.01 0.00 0.00 0.00 175.76 174.95 1l5i s HIS 86 N 0.29 3.26 -0.05 0.00 3.76 -1.26 -0.82 115.29 120.46 1l5i s HIS 86 Ca -0.06 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1l5i s HIS 86 Cb -0.11 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 1l5i s HIS 86 CO 0.01 0.54 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.22 1l5i s PHE 87 N -1.29 1.70 -0.44 1.40 0.08 0.15 -4.97 117.98 114.61 1l5i s PHE 87 Ca 0.26 -0.52 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1l5i s PHE 87 Cb -0.12 -1.16 0.10 0.00 -0.57 0.00 0.00 43.02 41.27 1l5i s PHE 87 CO 0.18 -0.19 0.28 -1.58 -0.10 0.00 0.00 175.22 173.80 1l5i s HIS 88 N 0.15 3.41 0.68 0.36 5.65 -1.26 -2.32 115.29 121.96 1l5i s HIS 88 Ca -0.06 -1.82 -0.11 0.00 0.25 0.00 0.00 55.06 53.31 1l5i s HIS 88 Cb -0.12 -3.20 0.00 0.00 -1.18 0.00 0.00 32.58 28.08 1l5i s HIS 88 CO 0.03 -0.93 1.06 -1.25 -0.65 0.00 0.00 174.74 173.00 1l5i s PRO 89 N 1.35 2.98 -0.27 2.88 0.04 -1.26 -4.93 135.00 135.78 1l5i s PRO 89 Ca 0.05 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 1l5i s PRO 89 Cb -0.24 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1l5i s PRO 89 CO -0.00 -1.07 0.24 -0.80 0.04 0.00 0.00 177.00 175.42 1l5i s ASN 90 N -3.68 6.10 -0.06 6.66 -0.87 -0.96 -4.89 114.94 117.23 1l5i s ASN 90 Ca 0.59 0.10 -0.24 0.00 -1.57 0.00 0.00 52.86 51.73 1l5i s ASN 90 Cb -0.14 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 1l5i s ASN 90 CO 0.53 -0.08 0.73 -0.63 -2.57 0.00 0.00 177.10 175.08 1l5i s ILE 91 N 1.78 5.03 -0.03 0.60 1.01 -1.26 -2.55 121.20 125.78 1l5i s ILE 91 Ca 0.10 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.27 1l5i s ILE 91 Cb -0.16 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.26 1l5i s ILE 91 CO 0.10 0.24 -0.04 -1.58 0.00 0.00 0.00 174.94 173.66 1l5i s GLN 92 N 0.83 0.65 -0.26 2.79 0.74 -0.60 -4.96 119.66 118.85 1l5i s GLN 92 Ca 0.39 -0.12 -0.16 0.00 0.05 0.00 0.00 55.36 55.53 1l5i s GLN 92 Cb -0.18 -0.67 -0.03 0.00 1.10 0.00 0.00 33.01 33.22 1l5i s GLN 92 CO 0.19 -0.02 0.42 0.20 -0.55 0.00 0.00 175.29 175.53 1l5i s GLY 93 N 0.59 1.90 -0.37 2.59 0.00 -1.26 -0.19 107.32 110.58 1l5i s GLY 93 Ca -0.07 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 1l5i s GLY 93 CO -0.00 1.03 1.26 0.00 0.00 0.00 0.00 173.10 175.39 1l5i s ALA 94 N 2.03 3.27 -1.52 3.20 0.00 -0.91 -4.85 121.76 122.97 1l5i s ALA 94 Ca 0.17 -0.10 0.27 0.00 0.00 0.00 0.00 51.96 52.31 1l5i s ALA 94 Cb -0.16 -3.82 1.43 0.00 0.00 0.00 0.00 23.12 20.57 1l5i s ALA 94 CO 0.09 -1.98 1.95 1.63 0.00 0.00 0.00 175.76 177.46 1l5i n LYS 95 N 7.54 0.47 -2.56 0.00 5.02 -1.26 -4.60 118.16 122.77 1l5i n LYS 95 Ca 0.14 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.22 1l5i n LYS 95 Cb 0.47 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.08 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1l5i s SER 96 N -2.48 4.46 0.07 4.39 1.04 -1.26 -5.07 113.70 114.86 1l5i s SER 96 Ca 0.29 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1l5i s SER 96 Cb 0.18 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1l5i s SER 96 CO 0.40 -1.78 0.00 -1.20 0.98 0.00 0.00 173.24 171.64 1l5i n SER 97 N -2.79 0.33 0.09 7.02 7.64 -1.26 -4.85 113.62 119.79 1l5i n SER 97 Ca 0.14 0.11 -0.03 0.00 1.01 0.00 0.00 58.87 60.09 1l5i n SER 97 Cb 0.60 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1l5i n SER 97 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1l5i h SER 98 N 0.00 0.00 -0.64 6.43 0.02 -2.01 -3.21 113.55 114.13 1l5i h SER 98 Ca 0.00 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 1l5i h SER 98 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1l5i h SER 98 CO 0.00 0.81 0.85 -0.78 -1.14 0.00 0.00 176.83 176.57 1l5i h ASP 99 N 0.00 0.00 -0.41 3.07 3.58 -2.00 1.81 116.42 122.48 1l5i h ASP 99 Ca -0.01 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 1l5i h ASP 99 Cb 1.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 1l5i h ASP 99 CO 0.10 0.00 -0.11 -0.37 -2.88 0.00 0.00 179.24 175.99 1l5i h VAL 100 N 0.00 1.28 -0.82 2.25 -1.51 -1.89 -2.65 116.25 112.90 1l5i h VAL 100 Ca 0.31 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1l5i h VAL 100 Cb 2.00 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 32.34 1l5i h VAL 100 CO -0.00 0.40 0.52 0.50 -1.23 0.00 0.00 177.57 177.76 1l5i h LYS 101 N 0.60 1.09 -0.40 5.19 3.11 0.26 0.22 116.57 126.64 1l5i h LYS 101 Ca 0.10 -0.08 0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1l5i h LYS 101 Cb 0.64 -0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 1l5i h LYS 101 CO 0.04 0.74 0.19 0.77 -2.81 0.00 0.00 179.45 178.38 1l5i h SER 102 N 1.12 0.26 0.26 4.20 0.02 -1.16 0.70 113.55 118.95 1l5i h SER 102 Ca 0.30 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.13 1l5i h SER 102 Cb -0.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1l5i h SER 102 CO -0.06 0.19 -0.57 0.22 -1.14 0.00 0.00 176.83 175.47 1l5i h TYR 103 N 0.38 0.40 -0.34 3.45 3.20 -1.04 -2.86 116.97 120.16 1l5i h TYR 103 Ca 0.18 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1l5i h TYR 103 Cb 0.10 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1l5i h TYR 103 CO -0.11 0.81 0.02 0.82 -1.64 0.00 0.00 178.16 178.05 1l5i h ILE 104 N 0.24 1.19 0.00 1.81 2.04 0.19 -0.37 117.51 122.61 1l5i h ILE 104 Ca 0.00 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1l5i h ILE 104 Cb 1.07 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1l5i h ILE 104 CO 0.09 0.25 -0.18 -0.78 0.00 0.00 0.00 178.15 177.54 1l5i h ASP 105 N 0.50 0.00 0.00 1.72 3.58 -0.66 -3.33 116.42 118.23 1l5i h ASP 105 Ca 0.11 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.94 1l5i h ASP 105 Cb 0.30 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.36 1l5i h ASP 105 CO 0.01 0.18 2.73 0.29 -2.88 0.00 0.00 179.24 179.57 1l5i n LYS 106 N -3.44 2.18 -1.75 0.28 5.02 -0.15 -4.89 118.16 115.41 1l5i n LYS 106 Ca -0.01 -2.01 -0.23 0.00 -2.02 0.00 0.00 58.31 54.04 1l5i n LYS 106 Cb 0.36 -2.92 0.15 0.00 -0.02 0.00 0.00 35.03 32.60 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 6.12 0.35 0.00 4.39 8.00 -1.25 -5.02 116.55 129.13 1l5i n ASP 107 Ca 0.52 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1l5i n ASP 107 Cb 0.33 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l5i n GLY 108 N -2.05 0.06 1.95 0.44 0.00 -1.26 -5.00 105.19 99.33 1l5i n GLY 108 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.60 -4.14 1.61 8.00 -1.26 -4.91 116.55 112.25 1l5i n ASP 109 Ca 0.00 -0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 1l5i n ASP 109 Cb 0.00 -2.17 -0.10 0.00 -0.02 0.00 0.00 41.12 38.83 1l5i n ASP 109 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1l5i s VAL 110 N -3.01 0.07 -0.05 2.53 -7.23 -1.26 -4.30 120.40 107.14 1l5i s VAL 110 Ca 0.02 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1l5i s VAL 110 Cb -0.00 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1l5i s VAL 110 CO 0.21 -0.32 0.06 -0.22 -0.31 0.00 0.00 175.10 174.52 1l5i s LEU 111 N -3.07 3.85 -0.10 1.32 0.20 0.38 -5.02 118.68 116.24 1l5i s LEU 111 Ca 0.27 0.19 0.02 0.00 0.69 0.00 0.00 54.13 55.31 1l5i s LEU 111 Cb 0.07 -2.06 0.01 0.00 -0.43 0.00 0.00 46.19 43.78 1l5i s LEU 111 CO 0.04 0.33 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.58 1l5i s GLU 112 N -1.30 2.24 0.08 1.98 2.12 -1.26 -2.36 118.70 120.19 1l5i s GLU 112 Ca 0.18 -0.58 0.03 0.00 0.36 0.00 0.00 54.97 54.96 1l5i s GLU 112 Cb -0.12 -1.87 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 1l5i s GLU 112 CO 0.08 -0.02 -0.09 -0.46 -0.54 0.00 0.00 175.26 174.23 1l5i s TRP 113 N 0.85 0.90 0.32 5.30 -0.00 -0.79 -5.04 118.94 120.47 1l5i s TRP 113 Ca -0.09 -0.66 0.00 0.00 -0.00 0.00 0.00 56.10 55.35 1l5i s TRP 113 Cb -0.15 -0.51 0.00 0.00 -0.00 0.00 0.00 33.47 32.81 1l5i s TRP 113 CO 0.01 -0.06 0.00 0.41 -0.00 0.00 0.00 176.95 177.30 1l5i n GLY 114 N 0.75 -1.90 3.02 5.86 0.00 -1.26 -1.18 105.19 110.48 1l5i n GLY 114 Ca -0.18 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.19 1.62 0.46 2.61 2.01 -0.36 -4.71 115.64 115.08 1l5i s THR 115 Ca 0.00 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1l5i s THR 115 Cb 0.00 -1.54 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 1l5i s THR 115 CO 0.00 0.43 0.96 0.12 -0.69 0.00 0.00 174.62 175.45 1l5i s PHE 116 N 1.46 3.34 -1.21 4.92 2.19 -1.26 -4.15 117.98 123.27 1l5i s PHE 116 Ca 0.04 1.57 -0.12 0.00 0.33 0.00 0.00 56.93 58.76 1l5i s PHE 116 Cb -0.13 -2.84 0.19 0.00 -1.31 0.00 0.00 43.02 38.93 1l5i s PHE 116 CO -0.11 -0.20 1.49 1.04 1.83 0.00 0.00 175.22 179.27 1l5i n GLN 117 N -0.91 3.51 -2.65 10.12 1.13 -1.26 -4.99 117.38 122.33 1l5i n GLN 117 Ca 0.07 -3.91 -0.43 0.00 -1.94 0.00 0.00 57.00 50.79 1l5i n GLN 117 Cb 0.54 -2.91 -0.02 0.00 0.11 0.00 0.00 30.24 27.95 1l5i n GLN 117 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1l5i s ILE 118 N 0.64 4.69 0.30 5.09 -1.09 -1.26 -5.00 121.20 124.56 1l5i s ILE 118 Ca 0.40 1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 60.51 1l5i s ILE 118 Cb -0.01 -4.28 -0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1l5i s ILE 118 CO -0.00 -0.06 1.17 -1.81 -1.23 0.00 0.00 174.94 173.01 1l5i s ASP 119 N 1.20 7.10 0.00 3.58 1.11 -1.26 -4.93 116.67 123.47 1l5i s ASP 119 Ca 0.48 2.42 0.00 0.00 0.18 0.00 0.00 52.55 55.62 1l5i s ASP 119 Cb -0.18 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.18 1l5i s ASP 119 CO 0.14 -0.28 0.00 0.61 1.18 0.00 0.00 175.17 176.82 1l5i n GLY 120 N 1.06 1.89 2.55 0.21 0.00 -1.26 -5.21 105.19 104.43 1l5i n GLY 120 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19