#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 2.61 3.19 5.00 0.00 -1.26 -5.17 105.19 109.57 1l5i n GLY 5 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1l5i n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1l5i s ARG 6 N -2.00 0.93 -0.63 1.61 3.52 -1.26 -5.09 118.95 116.03 1l5i s ARG 6 Ca 0.00 -0.94 -0.27 0.00 -0.13 0.00 0.00 55.73 54.39 1l5i s ARG 6 Cb 0.00 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.41 1l5i s ARG 6 CO 0.00 0.23 1.57 0.12 -0.81 0.00 0.00 175.30 176.41 1l5i s PHE 7 N -1.12 2.01 -0.09 5.12 5.36 -1.26 -4.95 117.98 123.05 1l5i s PHE 7 Ca 0.01 0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 1l5i s PHE 7 Cb -0.09 -4.33 0.03 0.00 -0.34 0.00 0.00 43.02 38.28 1l5i s PHE 7 CO 0.02 -2.18 -0.02 0.45 -1.46 0.00 0.00 175.22 172.03 1l5i s SER 8 N 5.80 1.88 -0.12 6.13 0.15 -1.26 -4.26 113.70 122.01 1l5i s SER 8 Ca 0.54 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 1l5i s SER 8 Cb -0.11 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 1l5i s SER 8 CO 0.20 -0.18 -0.05 -0.63 1.20 0.00 0.00 173.24 173.79 1l5i s ILE 9 N 1.88 3.86 -0.19 6.45 1.01 -1.10 -4.90 121.20 128.20 1l5i s ILE 9 Ca 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1l5i s ILE 9 Cb -0.13 -2.65 0.06 0.00 0.01 0.00 0.00 42.46 39.75 1l5i s ILE 9 CO -0.06 0.54 0.03 -0.54 0.00 0.00 0.00 174.94 174.90 1l5i s LYS 10 N -0.09 0.69 0.15 2.79 1.02 -1.26 0.86 119.74 123.90 1l5i s LYS 10 Ca 0.02 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.34 1l5i s LYS 10 Cb -0.13 -2.10 0.07 0.00 -0.52 0.00 0.00 37.83 35.14 1l5i s LYS 10 CO 0.03 -0.63 0.74 0.00 -0.92 0.00 0.00 175.35 174.56 1l5i s ALA 11 N 1.84 -1.57 0.03 5.17 0.00 -0.94 -4.97 121.76 121.32 1l5i s ALA 11 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1l5i s ALA 11 Cb -0.17 0.74 -0.26 0.00 0.00 0.00 0.00 23.12 23.43 1l5i s ALA 11 CO -0.08 -0.85 0.96 -0.22 0.00 0.00 0.00 175.76 175.57 1l5i h LYS 12 N 2.00 0.19 -6.54 0.00 3.64 -1.85 0.17 116.57 114.19 1l5i h LYS 12 Ca -0.27 -0.32 -0.68 0.00 -1.27 0.00 0.00 60.65 58.11 1l5i h LYS 12 Cb 1.27 0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 33.00 1l5i h LYS 12 CO 0.31 1.05 -0.78 -0.80 -2.27 0.00 0.00 179.45 176.96 1l5i s ASN 13 N -6.87 3.97 0.01 4.20 0.01 -1.24 -1.30 114.94 113.71 1l5i s ASN 13 Ca -0.06 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 1l5i s ASN 13 Cb 0.08 -0.70 -0.01 0.00 0.41 0.00 0.00 41.25 41.03 1l5i s ASN 13 CO 0.85 0.25 -0.09 -0.31 -1.51 0.00 0.00 177.10 176.29 1l5i s TYR 14 N -0.96 0.82 -0.16 2.20 2.02 -0.07 -0.00 117.35 121.19 1l5i s TYR 14 Ca 0.16 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1l5i s TYR 14 Cb -0.11 -0.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1l5i s TYR 14 CO 0.06 -0.01 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.78 1l5i s PHE 15 N -0.46 2.74 -0.12 2.71 0.08 0.66 -1.86 117.98 121.73 1l5i s PHE 15 Ca 0.01 -1.38 -0.04 0.00 0.12 0.00 0.00 56.93 55.64 1l5i s PHE 15 Cb -0.05 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1l5i s PHE 15 CO 0.00 -0.66 0.02 -0.51 -0.10 0.00 0.00 175.22 173.97 1l5i s LEU 16 N 1.01 3.63 -0.13 -0.37 2.01 -0.50 -1.35 118.68 122.98 1l5i s LEU 16 Ca -0.02 0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.24 1l5i s LEU 16 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.21 1l5i s LEU 16 CO -0.06 0.30 -0.16 -0.89 1.01 0.00 0.00 176.35 176.55 1l5i s THR 17 N -0.40 1.64 -0.40 5.49 2.01 -0.96 -2.05 115.64 120.97 1l5i s THR 17 Ca 0.08 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1l5i s THR 17 Cb -0.12 -1.50 0.10 0.00 0.01 0.00 0.00 72.50 70.99 1l5i s THR 17 CO 0.02 0.47 0.20 -0.31 -0.69 0.00 0.00 174.62 174.31 1l5i s TYR 18 N 1.14 3.49 0.16 4.92 1.51 -0.86 -1.32 117.35 126.39 1l5i s TYR 18 Ca -0.02 -2.15 -0.30 0.00 -1.01 0.00 0.00 57.07 53.59 1l5i s TYR 18 Cb -0.14 -3.07 -0.07 0.00 -0.11 0.00 0.00 41.96 38.56 1l5i s TYR 18 CO -0.05 -0.93 1.12 -1.25 -1.11 0.00 0.00 175.55 173.33 1l5i s PRO 19 N 1.22 4.56 -1.33 -1.71 0.04 -1.26 -2.11 135.00 134.42 1l5i s PRO 19 Ca 0.05 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 1l5i s PRO 19 Cb -0.23 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1l5i s PRO 19 CO -0.02 0.01 0.43 1.17 0.04 0.00 0.00 177.00 178.62 1l5i n LYS 20 N 2.59 -0.47 -4.40 4.56 4.81 -0.58 -4.91 118.16 119.76 1l5i n LYS 20 Ca 0.04 0.06 -0.34 0.00 -0.87 0.00 0.00 58.31 57.20 1l5i n LYS 20 Cb 0.46 -2.81 -0.15 0.00 0.02 0.00 0.00 35.03 32.55 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 4.12 1.76 -4.73 0.00 -0.08 -1.26 -4.43 116.55 111.93 1l5i n ASP 22 Ca -0.19 -2.11 -0.41 0.00 -1.51 0.00 0.00 54.79 50.57 1l5i n ASP 22 Cb 0.52 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.64 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 4.42 0.56 -2.67 2.96 -1.26 -5.02 118.68 116.70 1l5i s LEU 23 Ca 0.17 2.31 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 1l5i s LEU 23 Cb 0.10 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.19 1l5i s LEU 23 CO 0.09 -0.48 0.86 0.42 -1.32 0.00 0.00 176.35 175.92 1l5i s THR 24 N 0.22 3.84 0.31 3.68 -4.23 -1.26 -4.91 115.64 113.27 1l5i s THR 24 Ca 0.56 -0.02 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 1l5i s THR 24 Cb -0.35 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 70.03 1l5i s THR 24 CO 0.36 -0.50 1.72 0.07 -0.54 0.00 0.00 174.62 175.73 1l5i h LYS 25 N -0.07 0.00 -0.28 3.99 -0.00 -1.95 -0.35 116.57 117.92 1l5i h LYS 25 Ca -0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.14 1l5i h LYS 25 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.47 1l5i h LYS 25 CO 0.60 0.49 -0.02 0.93 -0.00 0.00 0.00 179.45 181.45 1l5i h GLU 26 N 0.00 0.51 -0.28 0.07 5.08 -1.97 1.51 114.58 119.50 1l5i h GLU 26 Ca -0.00 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1l5i h GLU 26 Cb 0.89 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1l5i h GLU 26 CO 0.06 0.68 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.58 1l5i h ASN 27 N 0.28 0.72 -0.06 1.42 -0.26 -1.92 0.28 115.58 116.04 1l5i h ASN 27 Ca 0.08 -0.47 -0.13 0.00 -0.56 0.00 0.00 56.30 55.22 1l5i h ASN 27 Cb 0.46 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1l5i h ASN 27 CO 0.02 1.04 -0.37 0.00 -1.06 0.00 0.00 177.43 177.05 1l5i h ALA 28 N 0.70 0.88 -0.13 -0.83 0.00 -0.98 0.56 119.26 119.45 1l5i h ALA 28 Ca 0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1l5i h ALA 28 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1l5i h ALA 28 CO 0.07 0.63 -0.08 1.25 0.00 0.00 0.00 179.25 181.12 1l5i h LEU 29 N 0.48 0.30 -0.26 0.00 7.12 0.23 0.36 115.31 123.53 1l5i h LEU 29 Ca 0.05 -0.43 -0.05 0.00 0.13 0.00 0.00 57.88 57.58 1l5i h LEU 29 Cb 0.87 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 1l5i h LEU 29 CO 0.07 0.66 -0.04 0.28 -0.13 0.00 0.00 178.44 179.28 1l5i h SER 30 N -0.07 0.49 -0.37 1.25 0.02 -0.33 -1.53 113.55 113.03 1l5i h SER 30 Ca 0.03 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1l5i h SER 30 Cb 0.55 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1l5i h SER 30 CO 0.02 0.72 0.06 1.56 -1.14 0.00 0.00 176.83 178.05 1l5i h GLN 31 N 0.25 0.70 -0.28 3.45 4.20 0.13 -1.79 115.11 121.77 1l5i h GLN 31 Ca 0.07 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1l5i h GLN 31 Cb 0.49 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1l5i h GLN 31 CO 0.02 0.67 -0.16 0.82 -0.67 0.00 0.00 178.83 179.52 1l5i h ILE 32 N 0.67 1.24 -0.64 2.54 1.08 -0.06 -1.78 117.51 120.55 1l5i h ILE 32 Ca 0.14 -1.08 -0.08 0.00 -0.39 0.00 0.00 64.86 63.45 1l5i h ILE 32 Cb 0.33 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1l5i h ILE 32 CO 0.01 0.35 0.07 0.71 -0.69 0.00 0.00 178.15 178.60 1l5i h THR 33 N 0.44 1.26 0.00 -0.27 1.35 -0.44 -1.50 112.91 113.76 1l5i h THR 33 Ca 0.08 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1l5i h THR 33 Cb 0.54 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1l5i h THR 33 CO 0.03 0.40 0.00 0.59 -0.25 0.00 0.00 175.52 176.29 1l5i n ASN 34 N -4.22 0.52 -4.61 5.36 3.02 -0.89 -4.64 115.26 109.79 1l5i n ASN 34 Ca 0.04 0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 54.75 1l5i n ASN 34 Cb 0.31 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 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 -4.09 3.72 0.59 3.41 1.02 -0.57 -4.99 118.68 117.77 1l5i s LEU 35 Ca 0.07 1.14 -0.08 0.00 0.02 0.00 0.00 54.13 55.28 1l5i s LEU 35 Cb 0.11 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.77 1l5i s LEU 35 CO 0.44 -1.33 0.94 0.00 0.02 0.00 0.00 176.35 176.42 1l5i s GLN 36 N 4.75 3.26 0.06 1.70 -2.07 -1.26 -4.99 119.66 121.10 1l5i s GLN 36 Ca 0.64 0.34 -0.10 0.00 -1.82 0.00 0.00 55.36 54.42 1l5i s GLN 36 Cb -0.18 -2.20 0.01 0.00 -1.09 0.00 0.00 33.01 29.55 1l5i s GLN 36 CO 0.29 -0.60 0.21 -0.08 -1.32 0.00 0.00 175.29 173.80 1l5i s THR 37 N -3.05 0.11 -1.68 3.63 -1.32 -1.26 -5.02 115.64 107.05 1l5i s THR 37 Ca 0.53 -0.93 0.23 0.00 -1.21 0.00 0.00 61.69 60.31 1l5i s THR 37 Cb -0.11 -1.04 0.52 0.00 -1.51 0.00 0.00 72.50 70.37 1l5i s THR 37 CO 0.49 -0.51 1.76 -0.81 -2.21 0.00 0.00 174.62 173.33 1l5i n PRO 38 N 0.45 0.51 0.00 7.08 -0.04 -1.26 -4.58 135.00 137.15 1l5i n PRO 38 Ca -0.18 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1l5i n PRO 38 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.16 0.00 -3.62 0.52 5.66 -1.26 -5.09 114.28 109.33 1l5i n THR 39 Ca 0.14 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.04 1l5i n THR 39 Cb 0.14 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.59 -0.42 -0.17 1.09 2.47 -1.26 -4.99 114.94 112.24 1l5i s ASN 40 Ca 0.00 0.72 -0.19 0.00 0.42 0.00 0.00 52.86 53.81 1l5i s ASN 40 Cb 0.00 0.70 -0.03 0.00 -1.45 0.00 0.00 41.25 40.47 1l5i s ASN 40 CO 0.00 -0.20 0.56 -0.54 -3.72 0.00 0.00 177.10 173.20 1l5i s LYS 41 N -0.13 4.24 0.00 0.43 1.02 -1.26 -1.87 119.74 122.18 1l5i s LYS 41 Ca 0.02 0.52 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1l5i s LYS 41 Cb -0.04 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1l5i s LYS 41 CO -0.04 -0.11 0.00 -0.11 -0.92 0.00 0.00 175.35 174.17 1l5i n LEU 42 N 4.59 0.00 -4.84 3.17 7.94 -0.84 -4.88 117.00 122.14 1l5i n LEU 42 Ca -0.04 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.58 1l5i n LEU 42 Cb 0.50 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 1l5i n LEU 42 CO 0.43 0.00 -0.19 0.12 -1.11 0.00 0.00 177.39 176.64 1l5i s PHE 43 N 0.00 3.29 -0.08 1.96 5.36 -1.16 -3.54 117.98 123.80 1l5i s PHE 43 Ca 0.00 0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1l5i s PHE 43 Cb 0.00 -1.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.10 1l5i s PHE 43 CO 0.00 0.53 0.03 0.42 -1.46 0.00 0.00 175.22 174.74 1l5i s ILE 44 N -1.62 0.20 -0.19 3.12 1.01 0.11 -2.56 121.20 121.26 1l5i s ILE 44 Ca 0.32 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1l5i s ILE 44 Cb -0.11 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.92 1l5i s ILE 44 CO 0.25 0.15 -0.16 -0.75 0.00 0.00 0.00 174.94 174.43 1l5i s LYS 45 N 2.04 3.03 -0.18 2.79 2.47 0.43 -1.79 119.74 128.54 1l5i s LYS 45 Ca 0.04 -0.82 -0.00 0.00 -1.56 0.00 0.00 55.97 53.64 1l5i s LYS 45 Cb -0.13 -2.67 0.04 0.00 -1.46 0.00 0.00 37.83 33.61 1l5i s LYS 45 CO -0.05 -0.23 -0.07 0.42 0.16 0.00 0.00 175.35 175.58 1l5i s ILE 46 N 1.32 1.28 -0.02 5.43 1.01 -1.01 0.34 121.20 129.55 1l5i s ILE 46 Ca 0.05 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1l5i s ILE 46 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1l5i s ILE 46 CO -0.11 0.15 -0.15 0.00 0.00 0.00 0.00 174.94 174.83 1l5i s ARG 48 N -0.23 3.63 -0.04 0.00 3.52 -1.26 -0.84 118.95 123.73 1l5i s ARG 48 Ca 0.03 0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.63 1l5i s ARG 48 Cb -0.07 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1l5i s ARG 48 CO 0.00 0.68 0.10 -2.00 -0.81 0.00 0.00 175.30 173.27 1l5i s GLU 49 N -1.47 0.08 -0.14 5.12 2.56 -0.84 -4.93 118.70 119.09 1l5i s GLU 49 Ca 0.24 0.23 -0.10 0.00 0.00 0.00 0.00 54.97 55.34 1l5i s GLU 49 Cb -0.14 -0.09 -0.05 0.00 2.00 0.00 0.00 34.13 35.86 1l5i s GLU 49 CO 0.13 -0.10 0.21 -0.51 -0.56 0.00 0.00 175.26 174.42 1l5i s LEU 50 N 0.67 4.32 0.47 2.70 2.01 -1.26 -0.86 118.68 126.72 1l5i s LEU 50 Ca -0.05 0.48 -0.14 0.00 0.01 0.00 0.00 54.13 54.42 1l5i s LEU 50 Cb -0.07 -2.21 -0.07 0.00 0.01 0.00 0.00 46.19 43.85 1l5i s LEU 50 CO -0.03 0.27 0.90 -1.00 1.01 0.00 0.00 176.35 177.50 1l5i s HIS 51 N -0.32 3.45 -1.31 0.29 3.76 -0.19 -4.90 115.29 116.07 1l5i s HIS 51 Ca 0.15 1.31 0.21 0.00 -0.15 0.00 0.00 55.06 56.57 1l5i s HIS 51 Cb -0.13 -2.66 1.01 0.00 1.11 0.00 0.00 32.58 31.92 1l5i s HIS 51 CO 0.03 -0.25 1.67 -0.85 -0.85 0.00 0.00 174.74 174.49 1l5i n GLU 52 N -1.42 0.22 0.00 1.40 0.28 -1.26 -1.93 120.64 117.93 1l5i n GLU 52 Ca 0.05 0.10 0.15 0.00 -0.16 0.00 0.00 57.16 57.30 1l5i n GLU 52 Cb 0.54 -1.50 0.68 0.00 1.43 0.00 0.00 31.44 32.59 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 -1.34 0.84 0.00 -1.84 3.02 -1.26 -4.87 115.26 109.80 1l5i n ASN 53 Ca 0.09 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1l5i n ASN 53 Cb 0.19 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.13 0.76 3.75 7.41 0.00 -0.81 -5.03 105.19 112.39 1l5i n GLY 54 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.31 4.17 -0.07 1.61 -1.05 -1.25 -4.92 118.70 116.87 1l5i s GLU 55 Ca 0.00 0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.60 1l5i s GLU 55 Cb 0.00 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.26 1l5i s GLU 55 CO 0.00 0.31 1.23 -1.25 0.95 0.00 0.00 175.26 176.50 1l5i s PRO 56 N 0.26 4.32 0.19 -4.83 0.04 -1.26 -1.02 135.00 132.70 1l5i s PRO 56 Ca 0.16 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1l5i s PRO 56 Cb -0.13 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1l5i s PRO 56 CO 0.04 -0.51 -0.09 -1.58 0.04 0.00 0.00 177.00 174.90 1l5i s HIS 57 N 2.49 2.62 -0.01 0.56 2.46 -0.04 0.49 115.29 123.87 1l5i s HIS 57 Ca 0.56 -0.23 0.03 0.00 0.47 0.00 0.00 55.06 55.90 1l5i s HIS 57 Cb -0.25 -1.26 -0.01 0.00 -0.13 0.00 0.00 32.58 30.93 1l5i s HIS 57 CO 0.21 0.53 -0.10 -1.17 -2.47 0.00 0.00 174.74 171.74 1l5i s LEU 58 N -2.94 2.01 0.01 8.88 1.98 -0.90 -1.98 118.68 125.75 1l5i s LEU 58 Ca 0.26 -0.19 0.08 0.00 -2.89 0.00 0.00 54.13 51.38 1l5i s LEU 58 Cb -0.08 -0.54 -0.03 0.00 0.66 0.00 0.00 46.19 46.20 1l5i s LEU 58 CO 0.16 0.12 -0.23 -1.00 -1.89 0.00 0.00 176.35 173.51 1l5i s HIS 59 N -0.22 2.43 -0.04 5.38 3.76 -0.02 -2.03 115.29 124.55 1l5i s HIS 59 Ca 0.04 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1l5i s HIS 59 Cb -0.04 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.19 1l5i s HIS 59 CO -0.00 0.11 0.09 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 -0.87 -1.97 121.20 119.03 1l5i s ILE 60 Ca 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 1l5i s ILE 60 Cb -0.10 -0.15 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1l5i s ILE 60 CO 0.02 0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.83 1l5i s LEU 61 N 0.36 0.54 0.08 2.97 1.98 0.15 -1.41 118.68 123.36 1l5i s LEU 61 Ca -0.03 -0.62 0.09 0.00 -2.89 0.00 0.00 54.13 50.68 1l5i s LEU 61 Cb -0.04 -0.32 -0.04 0.00 0.66 0.00 0.00 46.19 46.45 1l5i s LEU 61 CO -0.01 -0.33 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.28 1l5i s ILE 62 N 2.07 2.65 -0.09 6.68 1.01 -0.78 -0.43 121.20 132.32 1l5i s ILE 62 Ca 0.01 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.23 1l5i s ILE 62 Cb -0.16 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.19 1l5i s ILE 62 CO -0.08 0.21 0.02 0.00 0.00 0.00 0.00 174.94 175.09 1l5i s GLN 63 N -1.78 0.48 0.36 2.79 -2.07 -1.06 -0.90 119.66 117.48 1l5i s GLN 63 Ca 0.15 0.08 -0.04 0.00 -1.82 0.00 0.00 55.36 53.73 1l5i s GLN 63 Cb -0.10 -1.09 -0.04 0.00 -1.09 0.00 0.00 33.01 30.69 1l5i s GLN 63 CO 0.07 -0.37 0.62 -0.06 -1.32 0.00 0.00 175.29 174.23 1l5i s PHE 64 N 2.00 3.50 0.41 9.60 0.40 -0.42 -1.98 117.98 131.49 1l5i s PHE 64 Ca 0.04 0.61 0.08 0.00 -0.60 0.00 0.00 56.93 57.06 1l5i s PHE 64 Cb -0.13 -2.10 0.85 0.00 0.51 0.00 0.00 43.02 42.15 1l5i s PHE 64 CO -0.05 0.04 2.03 1.49 0.70 0.00 0.00 175.22 179.42 1l5i h GLU 65 N 1.03 0.47 -5.70 0.44 4.22 -1.69 -3.43 114.58 109.92 1l5i h GLU 65 Ca -0.48 -0.04 -0.48 0.00 0.08 0.00 0.00 59.36 58.43 1l5i h GLU 65 Cb 1.20 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 1l5i h GLU 65 CO 0.63 0.35 -0.74 0.20 -2.18 0.00 0.00 179.01 177.28 1l5i s GLY 66 N -3.77 1.52 -0.04 1.92 0.00 -1.26 -5.05 107.32 100.64 1l5i s GLY 66 Ca -0.08 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 42.64 1l5i s GLY 66 CO 0.73 -1.80 2.01 0.28 0.00 0.00 0.00 173.10 174.32 1l5i n LYS 67 N -0.42 2.56 -3.70 2.90 5.02 -1.26 -4.72 118.16 118.54 1l5i n LYS 67 Ca -0.07 0.91 -0.37 0.00 -2.02 0.00 0.00 58.31 56.76 1l5i n LYS 67 Cb 0.60 -2.97 -0.06 0.00 -0.02 0.00 0.00 35.03 32.58 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 5.11 3.64 -0.45 2.13 5.04 0.05 -4.85 117.35 128.01 1l5i s TYR 68 Ca 0.92 0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 56.11 1l5i s TYR 68 Cb -0.47 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 39.81 1l5i s TYR 68 CO 0.43 0.66 0.35 1.21 -1.34 0.00 0.00 175.55 176.86 1l5i s ASN 69 N -1.27 6.11 -0.99 4.32 3.04 -1.26 -2.22 114.94 122.66 1l5i s ASN 69 Ca 0.22 -1.18 -0.02 0.00 0.04 0.00 0.00 52.86 51.93 1l5i s ASN 69 Cb -0.14 -2.16 0.30 0.00 -1.54 0.00 0.00 41.25 37.71 1l5i s ASN 69 CO 0.11 -0.57 1.37 0.00 -3.04 0.00 0.00 177.10 174.98 1l5i n THR 71 N 1.10 2.71 -3.61 0.00 5.66 -1.26 -2.72 114.28 116.16 1l5i n THR 71 Ca 0.28 -1.52 -0.02 0.00 -3.05 0.00 0.00 64.05 59.74 1l5i n THR 71 Cb 0.34 -0.66 -0.05 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 -0.74 -0.98 -0.26 1.09 2.47 -1.26 -4.72 114.94 110.53 1l5i s ASN 72 Ca 0.43 1.40 -0.01 0.00 0.42 0.00 0.00 52.86 55.10 1l5i s ASN 72 Cb 0.36 1.94 0.13 0.00 -1.45 0.00 0.00 41.25 42.24 1l5i s ASN 72 CO 0.08 -0.20 2.19 0.00 -3.72 0.00 0.00 177.10 175.44 1l5i n GLN 73 N 5.03 1.75 -0.00 0.43 6.02 -1.26 -3.60 117.38 125.75 1l5i n GLN 73 Ca -0.14 -1.37 0.02 0.00 -0.01 0.00 0.00 57.00 55.51 1l5i n GLN 73 Cb 0.52 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 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 0.72 0.68 0.07 -1.09 5.12 -1.26 -4.46 116.66 116.45 1l5i n ARG 74 Ca 0.28 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.96 1l5i n ARG 74 Cb 0.58 -1.06 -0.11 0.00 -1.16 0.00 0.00 32.46 30.71 1l5i n ARG 74 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1l5i h PHE 75 N 0.00 0.98 -0.28 -1.55 3.57 -1.99 -3.14 116.94 114.53 1l5i h PHE 75 Ca 0.00 -0.58 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1l5i h PHE 75 Cb 0.18 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1l5i h PHE 75 CO 0.00 1.42 0.00 1.19 -2.23 0.00 0.00 178.31 178.69 1l5i n PHE 76 N -3.80 0.52 -1.94 0.41 3.72 -1.26 -4.85 117.46 110.26 1l5i n PHE 76 Ca -0.12 -0.23 -0.42 0.00 -0.05 0.00 0.00 57.45 56.63 1l5i n PHE 76 Cb 0.94 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.38 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 -0.81 5.69 -0.10 4.37 1.01 -1.19 -4.46 116.67 121.19 1l5i s ASP 77 Ca 0.21 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.70 1l5i s ASP 77 Cb 0.12 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1l5i s ASP 77 CO 0.12 -1.88 -0.04 -0.76 0.21 0.00 0.00 175.17 172.82 1l5i s LEU 78 N 7.58 3.31 0.31 1.23 1.43 -0.90 -4.98 118.68 126.66 1l5i s LEU 78 Ca 0.82 -0.00 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1l5i s LEU 78 Cb -0.22 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1l5i s LEU 78 CO 0.32 0.31 -0.11 0.68 0.23 0.00 0.00 176.35 177.79 1l5i s VAL 79 N -0.50 2.11 -0.26 -1.59 -7.23 -1.26 0.46 120.40 112.13 1l5i s VAL 79 Ca 0.08 -2.22 -0.24 0.00 -1.81 0.00 0.00 61.98 57.79 1l5i s VAL 79 Cb -0.12 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 1l5i s VAL 79 CO 0.02 -0.28 0.80 -0.55 -0.31 0.00 0.00 175.10 174.78 1l5i s SER 80 N -3.54 6.76 0.00 4.85 0.15 -0.17 -4.90 113.70 116.85 1l5i s SER 80 Ca 0.31 0.91 0.23 0.00 0.70 0.00 0.00 55.95 58.09 1l5i s SER 80 Cb 0.01 -2.42 1.12 0.00 -1.71 0.00 0.00 66.02 63.02 1l5i s SER 80 CO 0.15 -0.53 1.73 -0.81 1.20 0.00 0.00 173.24 174.98 1l5i n PRO 81 N 6.04 0.29 -0.01 5.44 -0.04 -1.26 -2.57 135.00 142.89 1l5i n PRO 81 Ca 0.05 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1l5i n PRO 81 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 1l5i n PRO 81 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 82 N -1.30 0.02 -4.32 0.52 5.66 -1.26 -4.99 114.28 108.60 1l5i n THR 82 Ca 0.10 -0.26 -0.18 0.00 -3.05 0.00 0.00 64.05 60.66 1l5i n THR 82 Cb 0.19 0.22 -0.14 0.00 -1.55 0.00 0.00 70.33 69.05 1l5i n THR 82 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1l5i s ARG 83 N -2.75 0.74 -0.80 1.09 3.52 -1.06 -5.03 118.95 114.66 1l5i s ARG 83 Ca -0.04 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 1l5i s ARG 83 Cb 0.07 -0.70 -0.13 0.00 -1.56 0.00 0.00 34.95 32.63 1l5i s ARG 83 CO 0.46 0.18 2.76 0.45 -0.81 0.00 0.00 175.30 178.34 1l5i n SER 84 N 2.50 5.96 -4.13 -2.12 2.88 -1.26 -3.84 113.62 113.62 1l5i n SER 84 Ca -0.15 -2.39 -0.20 0.00 -1.33 0.00 0.00 58.87 54.79 1l5i n SER 84 Cb 0.56 -1.27 -0.14 0.00 -0.75 0.00 0.00 64.21 62.61 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 2.19 1.13 0.04 -1.46 0.00 -1.26 -5.04 121.76 117.35 1l5i s ALA 85 Ca 0.56 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1l5i s ALA 85 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1l5i s ALA 85 CO -0.03 0.22 -0.00 -1.01 0.00 0.00 0.00 175.76 174.94 1l5i s HIS 86 N -0.74 3.03 -0.07 0.00 3.76 -1.26 -1.00 115.29 119.01 1l5i s HIS 86 Ca 0.02 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.99 1l5i s HIS 86 Cb -0.07 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 32.01 1l5i s HIS 86 CO 0.01 0.46 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.14 1l5i s PHE 87 N -1.18 1.73 -0.44 1.40 0.08 0.17 -4.96 117.98 114.79 1l5i s PHE 87 Ca 0.22 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1l5i s PHE 87 Cb -0.12 -1.21 0.11 0.00 -0.57 0.00 0.00 43.02 41.24 1l5i s PHE 87 CO 0.14 -0.27 0.28 -1.58 -0.10 0.00 0.00 175.22 173.68 1l5i s HIS 88 N 0.43 3.49 0.67 0.36 5.65 -1.26 -2.11 115.29 122.53 1l5i s HIS 88 Ca -0.12 -2.10 -0.12 0.00 0.25 0.00 0.00 55.06 52.96 1l5i s HIS 88 Cb -0.15 -3.34 -0.00 0.00 -1.18 0.00 0.00 32.58 27.91 1l5i s HIS 88 CO 0.04 -0.98 1.06 -1.25 -0.65 0.00 0.00 174.74 172.96 1l5i s PRO 89 N 1.26 3.04 -0.34 2.88 0.04 -1.26 -4.93 135.00 135.70 1l5i s PRO 89 Ca 0.07 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1l5i s PRO 89 Cb -0.24 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1l5i s PRO 89 CO -0.02 -1.02 0.77 1.21 0.04 0.00 0.00 177.00 177.98 1l5i s ASN 90 N -3.59 6.59 -0.05 6.66 3.84 -0.43 -4.81 114.94 123.14 1l5i s ASN 90 Ca 0.59 0.48 -0.25 0.00 0.21 0.00 0.00 52.86 53.89 1l5i s ASN 90 Cb -0.14 -2.40 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1l5i s ASN 90 CO 0.51 -0.67 0.75 -0.63 -2.79 0.00 0.00 177.10 174.27 1l5i s ILE 91 N 3.01 5.00 -0.03 -5.21 1.01 -1.26 -2.27 121.20 121.45 1l5i s ILE 91 Ca 0.31 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.54 1l5i s ILE 91 Cb -0.14 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.26 1l5i s ILE 91 CO 0.15 0.24 -0.04 -1.10 0.00 0.00 0.00 174.94 174.19 1l5i s GLN 92 N 0.77 0.60 -0.38 2.79 -1.52 -0.46 -4.97 119.66 116.50 1l5i s GLN 92 Ca 0.40 -0.10 -0.24 0.00 -1.95 0.00 0.00 55.36 53.47 1l5i s GLN 92 Cb -0.18 -0.63 0.01 0.00 -0.22 0.00 0.00 33.01 31.99 1l5i s GLN 92 CO 0.20 -0.02 0.84 0.20 -0.25 0.00 0.00 175.29 176.25 1l5i s GLY 93 N 0.59 1.62 -0.39 3.09 0.00 -1.26 -0.24 107.32 110.72 1l5i s GLY 93 Ca -0.07 -0.62 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 1l5i s GLY 93 CO -0.00 1.85 0.84 0.00 0.00 0.00 0.00 173.10 175.80 1l5i s ALA 94 N 3.26 3.37 0.50 3.20 0.00 0.99 -4.98 121.76 128.11 1l5i s ALA 94 Ca 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1l5i s ALA 94 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1l5i s ALA 94 CO 0.18 -1.67 0.00 1.17 0.00 0.00 0.00 175.76 175.44 1l5i n LYS 95 N 6.68 2.94 -3.27 0.00 4.81 -1.26 -3.68 118.16 124.37 1l5i n LYS 95 Ca 0.04 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.11 1l5i n LYS 95 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 1l5i n LYS 95 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1l5i s SER 96 N -1.56 6.99 0.00 3.14 0.15 -1.26 -4.81 113.70 116.34 1l5i s SER 96 Ca 0.00 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1l5i s SER 96 Cb 0.00 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1l5i s SER 96 CO 0.00 0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.38 1l5i n SER 97 N 1.27 0.00 -0.00 5.45 2.88 -1.26 -4.97 113.62 116.99 1l5i n SER 97 Ca -0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.61 1l5i n SER 97 Cb 0.51 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.73 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 0.02 -0.18 -3.46 3.41 -1.26 -3.70 113.62 108.45 1l5i n SER 98 Ca 0.00 -0.17 0.29 0.00 -0.26 0.00 0.00 58.87 58.73 1l5i n SER 98 Cb 0.00 -0.27 0.61 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.02 0.00 -0.34 4.04 3.58 -2.00 2.05 116.42 123.79 1l5i h ASP 99 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1l5i h ASP 99 Cb 0.29 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1l5i h ASP 99 CO 0.00 0.00 -0.20 -0.37 -2.88 0.00 0.00 179.24 175.79 1l5i h VAL 100 N 0.00 1.29 -0.81 2.25 -1.51 -2.00 -2.28 116.25 113.20 1l5i h VAL 100 Ca 0.45 -1.34 -0.04 0.00 -1.23 0.00 0.00 66.70 64.55 1l5i h VAL 100 Cb 2.37 1.42 -0.04 0.00 -2.13 0.00 0.00 31.29 32.92 1l5i h VAL 100 CO -0.00 0.44 0.35 0.50 -1.23 0.00 0.00 177.57 177.62 1l5i h LYS 101 N 0.50 1.19 -0.38 5.19 3.11 0.30 0.19 116.57 126.68 1l5i h LYS 101 Ca 0.07 -0.20 0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1l5i h LYS 101 Cb 0.75 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.75 1l5i h LYS 101 CO 0.06 0.95 0.17 1.03 -2.81 0.00 0.00 179.45 178.84 1l5i h SER 102 N 1.16 0.22 -0.42 4.20 0.87 -1.18 0.18 113.55 118.59 1l5i h SER 102 Ca 0.27 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.74 1l5i h SER 102 Cb 0.18 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1l5i h SER 102 CO -0.03 0.17 -0.19 0.22 -0.53 0.00 0.00 176.83 176.47 1l5i h TYR 103 N 0.34 1.01 0.00 2.24 3.20 -0.99 -1.30 116.97 121.47 1l5i h TYR 103 Ca 0.16 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1l5i h TYR 103 Cb 0.10 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1l5i h TYR 103 CO -0.12 1.03 -0.00 0.82 -1.64 0.00 0.00 178.16 178.25 1l5i h ILE 104 N 0.70 0.62 0.22 1.81 2.04 -0.13 -0.77 117.51 122.00 1l5i h ILE 104 Ca 0.10 -0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.62 1l5i h ILE 104 Cb 0.75 1.00 0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1l5i h ILE 104 CO 0.06 0.00 -1.53 -0.78 0.00 0.00 0.00 178.15 175.90 1l5i h ASP 105 N 0.00 0.71 0.00 1.72 1.82 -0.51 -3.36 116.42 116.80 1l5i h ASP 105 Ca -0.00 -0.84 -0.52 0.00 -0.39 0.00 0.00 57.03 55.28 1l5i h ASP 105 Cb 0.00 -0.23 0.02 0.00 0.68 0.00 0.00 39.33 39.80 1l5i h ASP 105 CO 0.00 1.67 2.78 2.29 -1.61 0.00 0.00 179.24 184.37 1l5i n LYS 106 N -3.65 2.26 -0.10 0.28 2.85 -0.29 -4.85 118.16 114.66 1l5i n LYS 106 Ca -0.18 -1.78 0.00 0.00 -1.05 0.00 0.00 58.31 55.30 1l5i n LYS 106 Cb 1.09 -2.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1l5i n ASP 107 N 5.12 0.00 0.00 -5.58 5.75 -1.26 -4.95 116.55 115.63 1l5i n ASP 107 Ca 0.52 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1l5i n ASP 107 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l5i n GLY 108 N 5.00 2.37 2.47 6.12 0.00 -1.26 -4.93 105.19 114.96 1l5i n GLY 108 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.16 -4.65 1.61 9.92 -1.26 -4.90 116.55 112.12 1l5i n ASP 109 Ca 0.00 -0.09 -0.25 0.00 -0.53 0.00 0.00 54.79 53.93 1l5i n ASP 109 Cb 0.00 -4.17 -0.09 0.00 -0.64 0.00 0.00 41.12 36.22 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 -2.93 2.52 -0.13 2.53 -7.23 -1.26 -4.70 120.40 109.20 1l5i s VAL 110 Ca 0.08 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1l5i s VAL 110 Cb -0.03 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1l5i s VAL 110 CO 0.10 -0.15 0.05 -0.22 -0.31 0.00 0.00 175.10 174.56 1l5i s LEU 111 N -3.74 3.79 -0.07 1.32 0.20 -0.58 -5.03 118.68 114.57 1l5i s LEU 111 Ca 0.36 0.16 0.04 0.00 0.69 0.00 0.00 54.13 55.38 1l5i s LEU 111 Cb 0.01 -1.92 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 1l5i s LEU 111 CO 0.20 0.29 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.65 1l5i s GLU 112 N -0.34 2.35 0.01 1.98 2.12 -1.26 -2.40 118.70 121.16 1l5i s GLU 112 Ca 0.08 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 1l5i s GLU 112 Cb -0.12 -1.89 -0.01 0.00 0.26 0.00 0.00 34.13 32.37 1l5i s GLU 112 CO 0.02 0.20 0.02 -0.46 -0.54 0.00 0.00 175.26 174.49 1l5i s TRP 113 N 0.25 0.18 0.24 5.30 -0.00 -0.74 -5.03 118.94 119.15 1l5i s TRP 113 Ca -0.12 -0.38 0.00 0.00 -0.00 0.00 0.00 56.10 55.60 1l5i s TRP 113 Cb -0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 33.47 33.18 1l5i s TRP 113 CO 0.05 -0.20 0.00 0.41 -0.00 0.00 0.00 176.95 177.21 1l5i n GLY 114 N 1.66 -1.78 3.13 5.86 0.00 -1.26 0.04 105.19 112.84 1l5i n GLY 114 Ca -0.23 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.95 1.67 0.45 2.61 2.01 -1.23 -4.66 115.64 114.55 1l5i s THR 115 Ca 0.00 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1l5i s THR 115 Cb 0.00 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.94 1l5i s THR 115 CO 0.00 0.47 0.96 0.12 -0.69 0.00 0.00 174.62 175.49 1l5i s PHE 116 N 0.52 3.33 -0.72 4.92 2.19 -1.26 -3.92 117.98 123.04 1l5i s PHE 116 Ca -0.16 1.57 -0.08 0.00 0.33 0.00 0.00 56.93 58.59 1l5i s PHE 116 Cb -0.17 -2.85 0.19 0.00 -1.31 0.00 0.00 43.02 38.88 1l5i s PHE 116 CO 0.06 -0.21 0.60 -0.65 1.83 0.00 0.00 175.22 176.84 1l5i s GLN 117 N -3.40 3.06 -0.27 10.12 -1.52 -1.26 -5.04 119.66 121.35 1l5i s GLN 117 Ca 0.61 -2.48 -0.24 0.00 -1.95 0.00 0.00 55.36 51.30 1l5i s GLN 117 Cb -0.10 -4.07 -0.00 0.00 -0.22 0.00 0.00 33.01 28.62 1l5i s GLN 117 CO 0.18 -1.23 0.81 0.42 -0.25 0.00 0.00 175.29 175.22 1l5i s ILE 118 N 0.08 4.81 0.67 1.08 1.09 -1.26 -5.04 121.20 122.63 1l5i s ILE 118 Ca 0.17 1.39 -0.10 0.00 -1.10 0.00 0.00 60.65 61.01 1l5i s ILE 118 Cb -0.16 -4.13 0.01 0.00 -1.06 0.00 0.00 42.46 37.12 1l5i s ILE 118 CO -0.06 -0.16 1.05 -0.62 -0.10 0.00 0.00 174.94 175.05 1l5i s ASP 119 N 1.48 5.57 0.00 3.58 2.15 -1.26 -4.93 116.67 123.26 1l5i s ASP 119 Ca 0.34 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.41 1l5i s ASP 119 Cb -0.15 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1l5i s ASP 119 CO 0.10 -1.23 0.00 0.61 -0.17 0.00 0.00 175.17 174.48 1l5i n GLY 120 N -2.90 -2.12 0.55 2.66 0.00 -1.26 -5.17 105.19 96.96 1l5i n GLY 120 Ca 0.06 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.73 1l5i n GLY 120 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36