#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 1.35 3.26 0.23 0.00 -1.26 -5.14 105.19 103.64 1l5i n GLY 5 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.89 1.09 -0.59 1.61 0.52 -1.26 -5.09 118.95 111.35 1l5i s ARG 6 Ca 0.41 -1.40 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 1l5i s ARG 6 Cb -0.03 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.63 1l5i s ARG 6 CO 0.26 0.13 1.57 0.12 0.02 0.00 0.00 175.30 177.41 1l5i s PHE 7 N -2.82 2.04 -0.21 -0.53 5.36 -1.26 -4.94 117.98 115.61 1l5i s PHE 7 Ca 0.15 0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 56.61 1l5i s PHE 7 Cb -0.01 -4.31 0.06 0.00 -0.34 0.00 0.00 43.02 38.43 1l5i s PHE 7 CO 0.03 -2.19 0.01 -1.54 -1.46 0.00 0.00 175.22 170.07 1l5i s SER 8 N 5.67 3.20 -0.12 6.13 1.04 -1.26 -4.11 113.70 124.25 1l5i s SER 8 Ca 0.57 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 1l5i s SER 8 Cb -0.12 -0.76 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 1l5i s SER 8 CO 0.23 -0.29 -0.01 -0.63 0.98 0.00 0.00 173.24 173.52 1l5i s ILE 9 N 1.72 4.20 -0.18 -1.02 1.01 -1.14 -4.91 121.20 120.88 1l5i s ILE 9 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1l5i s ILE 9 Cb -0.18 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1l5i s ILE 9 CO -0.08 0.56 0.03 -0.54 0.00 0.00 0.00 174.94 174.91 1l5i s LYS 10 N -0.38 0.67 0.15 2.79 1.02 -1.26 0.10 119.74 122.83 1l5i s LYS 10 Ca 0.07 -0.39 -0.24 0.00 0.02 0.00 0.00 55.97 55.43 1l5i s LYS 10 Cb -0.12 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.22 1l5i s LYS 10 CO 0.02 -0.61 0.74 0.00 -0.92 0.00 0.00 175.35 174.58 1l5i s ALA 11 N 1.86 -1.57 -0.20 5.17 0.00 -0.98 -4.97 121.76 121.08 1l5i s ALA 11 Ca -0.01 0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.51 1l5i s ALA 11 Cb -0.17 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1l5i s ALA 11 CO -0.08 -0.85 1.06 -0.22 0.00 0.00 0.00 175.76 175.67 1l5i h LYS 12 N 2.00 0.00 -5.92 0.00 3.11 -1.85 -0.71 116.57 113.20 1l5i h LYS 12 Ca -0.27 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 56.90 1l5i h LYS 12 Cb 1.27 0.00 -0.26 0.00 -1.00 0.00 0.00 32.23 32.24 1l5i h LYS 12 CO 0.31 0.18 -0.78 -0.80 -2.81 0.00 0.00 179.45 175.55 1l5i s ASN 13 N -5.76 3.90 -0.02 4.20 0.01 -1.26 -2.29 114.94 113.71 1l5i s ASN 13 Ca -0.00 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.88 1l5i s ASN 13 Cb 0.08 -1.12 0.01 0.00 0.41 0.00 0.00 41.25 40.63 1l5i s ASN 13 CO 0.78 0.27 -0.07 -0.31 -1.51 0.00 0.00 177.10 176.26 1l5i s TYR 14 N -0.27 0.79 -0.12 2.20 2.02 -0.95 -2.11 117.35 118.91 1l5i s TYR 14 Ca 0.01 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1l5i s TYR 14 Cb -0.13 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1l5i s TYR 14 CO 0.03 -0.09 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.63 1l5i s PHE 15 N 0.26 2.58 -0.13 2.71 0.08 0.13 -2.22 117.98 121.38 1l5i s PHE 15 Ca -0.04 -1.21 -0.05 0.00 0.12 0.00 0.00 56.93 55.76 1l5i s PHE 15 Cb -0.08 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1l5i s PHE 15 CO 0.00 -0.53 0.03 -0.51 -0.10 0.00 0.00 175.22 174.11 1l5i s LEU 16 N 0.65 3.72 -0.13 -0.37 2.01 -0.80 -0.90 118.68 122.86 1l5i s LEU 16 Ca -0.11 0.13 0.01 0.00 0.01 0.00 0.00 54.13 54.17 1l5i s LEU 16 Cb -0.16 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.16 1l5i s LEU 16 CO 0.02 0.28 -0.17 -0.89 1.01 0.00 0.00 176.35 176.61 1l5i s THR 17 N -0.29 1.69 -0.35 5.49 2.01 -0.98 -2.32 115.64 120.88 1l5i s THR 17 Ca 0.07 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1l5i s THR 17 Cb -0.12 -1.54 0.09 0.00 0.01 0.00 0.00 72.50 70.94 1l5i s THR 17 CO 0.02 0.48 0.08 -0.31 -0.69 0.00 0.00 174.62 174.19 1l5i s TYR 18 N 1.11 3.59 0.27 4.92 1.51 -1.01 -2.19 117.35 125.55 1l5i s TYR 18 Ca -0.03 -2.59 -0.30 0.00 -1.01 0.00 0.00 57.07 53.14 1l5i s TYR 18 Cb -0.14 -2.82 -0.09 0.00 -0.11 0.00 0.00 41.96 38.79 1l5i s TYR 18 CO -0.05 -0.93 1.08 -1.25 -1.11 0.00 0.00 175.55 173.29 1l5i s PRO 19 N 1.05 4.67 -1.54 -1.71 0.04 -1.26 -2.05 135.00 134.19 1l5i s PRO 19 Ca 0.06 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 1l5i s PRO 19 Cb -0.20 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO -0.06 0.25 0.09 1.17 0.04 0.00 0.00 177.00 178.50 1l5i n LYS 20 N 1.23 -0.91 -3.76 4.56 4.81 -0.47 -4.88 118.16 118.75 1l5i n LYS 20 Ca -0.01 0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 57.16 1l5i n LYS 20 Cb 0.45 -3.62 -0.13 0.00 0.02 0.00 0.00 35.03 31.76 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 4.92 1.82 -4.74 0.00 -0.08 -1.26 -4.45 116.55 112.76 1l5i n ASP 22 Ca -0.16 -2.12 -0.41 0.00 -1.51 0.00 0.00 54.79 50.58 1l5i n ASP 22 Cb 0.51 -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 0.59 -2.67 2.96 -1.26 -5.02 118.68 116.75 1l5i s LEU 23 Ca 0.17 2.35 -0.07 0.00 -0.22 0.00 0.00 54.13 56.35 1l5i s LEU 23 Cb 0.11 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 1l5i s LEU 23 CO 0.09 -0.44 0.93 0.42 -1.32 0.00 0.00 176.35 176.02 1l5i s THR 24 N -0.13 4.06 0.29 3.68 -4.23 -1.26 -4.94 115.64 113.12 1l5i s THR 24 Ca 0.54 0.25 0.14 0.00 -1.18 0.00 0.00 61.69 61.44 1l5i s THR 24 Cb -0.35 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 69.95 1l5i s THR 24 CO 0.39 -0.68 1.74 0.07 -0.54 0.00 0.00 174.62 175.60 1l5i h LYS 25 N -0.18 0.00 -0.12 3.99 -0.00 -1.95 -1.25 116.57 117.05 1l5i h LYS 25 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.18 1l5i h LYS 25 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1l5i h LYS 25 CO 0.62 0.45 0.00 1.49 -0.00 0.00 0.00 179.45 182.01 1l5i h GLU 26 N 0.00 0.21 -0.39 0.07 4.22 -1.97 1.44 114.58 118.16 1l5i h GLU 26 Ca -0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.32 1l5i h GLU 26 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1l5i h GLU 26 CO 0.06 0.45 0.03 -0.91 -2.18 0.00 0.00 179.01 176.46 1l5i h ASN 27 N -0.06 0.64 0.13 1.04 -0.26 -1.93 0.36 115.58 115.51 1l5i h ASN 27 Ca 0.03 -0.28 -0.11 0.00 -0.56 0.00 0.00 56.30 55.38 1l5i h ASN 27 Cb 0.35 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1l5i h ASN 27 CO 0.01 0.76 -0.39 0.00 -1.06 0.00 0.00 177.43 176.74 1l5i h ALA 28 N 0.90 1.03 -0.29 -0.83 0.00 -1.15 0.23 119.26 119.15 1l5i h ALA 28 Ca 0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1l5i h ALA 28 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1l5i h ALA 28 CO 0.01 0.60 -0.21 1.25 0.00 0.00 0.00 179.25 180.91 1l5i h LEU 29 N 0.29 0.69 -0.20 0.00 7.12 0.24 0.63 115.31 124.07 1l5i h LEU 29 Ca 0.03 -0.44 -0.06 0.00 0.13 0.00 0.00 57.88 57.54 1l5i h LEU 29 Cb 0.83 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 1l5i h LEU 29 CO 0.07 0.98 -0.09 0.28 -0.13 0.00 0.00 178.44 179.55 1l5i h SER 30 N 0.40 0.43 -0.20 1.25 0.02 -0.08 0.60 113.55 115.97 1l5i h SER 30 Ca 0.06 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1l5i h SER 30 Cb 0.75 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1l5i h SER 30 CO 0.06 0.74 0.01 1.56 -1.14 0.00 0.00 176.83 178.06 1l5i h GLN 31 N 0.12 0.35 -0.32 3.45 4.20 -0.52 0.46 115.11 122.86 1l5i h GLN 31 Ca 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1l5i h GLN 31 Cb 0.58 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1l5i h GLN 31 CO 0.03 0.53 0.07 0.82 -0.67 0.00 0.00 178.83 179.60 1l5i h ILE 32 N 0.12 1.23 -0.49 2.54 1.08 0.27 0.45 117.51 122.72 1l5i h ILE 32 Ca 0.06 -0.77 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 1l5i h ILE 32 Cb 0.36 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 1l5i h ILE 32 CO 0.01 0.25 0.10 0.74 -0.69 0.00 0.00 178.15 178.57 1l5i h THR 33 N 0.36 1.21 0.00 -0.27 2.02 0.32 -0.60 112.91 115.95 1l5i h THR 33 Ca 0.10 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1l5i h THR 33 Cb 0.31 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1l5i h THR 33 CO 0.00 0.29 -0.12 0.59 0.37 0.00 0.00 175.52 176.65 1l5i n ASN 34 N -4.28 0.15 -4.65 4.18 5.03 0.16 -4.77 115.26 111.08 1l5i n ASN 34 Ca 0.03 0.33 -0.43 0.00 0.87 0.00 0.00 54.58 55.39 1l5i n ASN 34 Cb 0.22 -0.34 -0.02 0.00 -1.02 0.00 0.00 39.78 38.63 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 -3.08 4.12 0.68 3.41 1.02 0.16 -5.00 118.68 119.98 1l5i s LEU 35 Ca 0.13 1.63 -0.11 0.00 0.02 0.00 0.00 54.13 55.80 1l5i s LEU 35 Cb 0.18 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.86 1l5i s LEU 35 CO 0.57 -0.86 1.07 0.00 0.02 0.00 0.00 176.35 177.15 1l5i s GLN 36 N 3.74 3.05 0.07 1.70 -2.07 -1.26 -4.96 119.66 119.93 1l5i s GLN 36 Ca 0.57 0.61 -0.09 0.00 -1.82 0.00 0.00 55.36 54.63 1l5i s GLN 36 Cb -0.22 -2.03 0.00 0.00 -1.09 0.00 0.00 33.01 29.67 1l5i s GLN 36 CO 0.18 -0.93 0.20 -0.08 -1.32 0.00 0.00 175.29 173.34 1l5i s THR 37 N -3.26 0.13 -1.29 3.63 -1.32 -1.26 -5.02 115.64 107.25 1l5i s THR 37 Ca 0.57 -1.05 0.22 0.00 -1.21 0.00 0.00 61.69 60.22 1l5i s THR 37 Cb -0.12 -1.18 0.33 0.00 -1.51 0.00 0.00 72.50 70.02 1l5i s THR 37 CO 0.53 -0.58 1.73 -0.81 -2.21 0.00 0.00 174.62 173.27 1l5i n PRO 38 N 0.21 0.22 0.00 7.08 -0.04 -1.26 -4.60 135.00 136.61 1l5i n PRO 38 Ca -0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1l5i n PRO 38 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.36 0.00 -3.64 0.52 5.66 -1.26 -5.10 114.28 109.10 1l5i n THR 39 Ca 0.09 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 1l5i n THR 39 Cb 0.21 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.32 -0.43 -0.23 1.09 2.47 -1.26 -4.99 114.94 111.91 1l5i s ASN 40 Ca 0.00 0.83 -0.19 0.00 0.42 0.00 0.00 52.86 53.92 1l5i s ASN 40 Cb 0.00 0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 40.62 1l5i s ASN 40 CO 0.00 -0.14 0.56 -0.54 -3.72 0.00 0.00 177.10 173.26 1l5i s LYS 41 N 0.24 4.14 0.00 0.43 1.02 -1.26 -2.12 119.74 122.18 1l5i s LYS 41 Ca 0.03 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1l5i s LYS 41 Cb -0.05 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1l5i s LYS 41 CO -0.07 -0.29 0.00 1.28 -0.92 0.00 0.00 175.35 175.36 1l5i n LEU 42 N 5.27 0.06 -4.87 3.17 4.32 -0.89 -4.93 117.00 119.14 1l5i n LEU 42 Ca -0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.70 1l5i n LEU 42 Cb 0.50 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.25 1l5i n LEU 42 CO 0.42 0.00 -0.16 0.12 -1.22 0.00 0.00 177.39 176.55 1l5i s PHE 43 N 0.00 3.30 -0.04 -1.77 5.36 -1.19 -3.33 117.98 120.30 1l5i s PHE 43 Ca 0.00 0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 55.99 1l5i s PHE 43 Cb 0.00 -1.57 0.03 0.00 -0.34 0.00 0.00 43.02 41.14 1l5i s PHE 43 CO 0.00 0.52 0.07 0.42 -1.46 0.00 0.00 175.22 174.77 1l5i s ILE 44 N -1.77 -0.12 -0.18 3.12 1.01 0.17 -2.50 121.20 120.93 1l5i s ILE 44 Ca 0.33 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.34 1l5i s ILE 44 Cb -0.10 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.24 1l5i s ILE 44 CO 0.26 0.15 -0.14 -0.75 0.00 0.00 0.00 174.94 174.45 1l5i s LYS 45 N 1.87 2.38 -0.21 2.79 2.47 0.41 -1.62 119.74 127.83 1l5i s LYS 45 Ca 0.00 -0.80 0.02 0.00 -1.56 0.00 0.00 55.97 53.63 1l5i s LYS 45 Cb -0.12 -2.40 0.03 0.00 -1.46 0.00 0.00 37.83 33.88 1l5i s LYS 45 CO -0.04 -0.33 -0.16 0.42 0.16 0.00 0.00 175.35 175.40 1l5i s ILE 46 N 1.37 2.13 -0.02 5.43 1.01 -0.96 0.24 121.20 130.40 1l5i s ILE 46 Ca 0.02 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.53 1l5i s ILE 46 Cb -0.15 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1l5i s ILE 46 CO -0.10 0.33 -0.15 0.00 0.00 0.00 0.00 174.94 175.03 1l5i s ARG 48 N -0.22 3.63 -0.10 0.00 3.52 -1.26 0.34 118.95 124.85 1l5i s ARG 48 Ca 0.03 0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1l5i s ARG 48 Cb -0.07 -3.11 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1l5i s ARG 48 CO 0.00 0.67 0.23 -2.00 -0.81 0.00 0.00 175.30 173.39 1l5i s GLU 49 N -1.55 0.21 -0.14 5.12 2.12 0.06 -4.90 118.70 119.63 1l5i s GLU 49 Ca 0.25 0.47 -0.09 0.00 0.36 0.00 0.00 54.97 55.96 1l5i s GLU 49 Cb -0.14 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.14 1l5i s GLU 49 CO 0.14 -0.13 0.18 -0.51 -0.54 0.00 0.00 175.26 174.39 1l5i s LEU 50 N 1.00 4.32 0.53 2.70 1.02 -1.26 -0.05 118.68 126.94 1l5i s LEU 50 Ca -0.07 0.44 -0.14 0.00 0.02 0.00 0.00 54.13 54.38 1l5i s LEU 50 Cb -0.08 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.91 1l5i s LEU 50 CO -0.06 0.29 0.97 -1.00 0.02 0.00 0.00 176.35 176.57 1l5i s HIS 51 N -0.41 3.51 -1.30 0.29 3.76 0.25 -4.88 115.29 116.51 1l5i s HIS 51 Ca 0.14 1.36 0.14 0.00 -0.15 0.00 0.00 55.06 56.54 1l5i s HIS 51 Cb -0.12 -2.72 0.66 0.00 1.11 0.00 0.00 32.58 31.50 1l5i s HIS 51 CO 0.03 -0.44 1.38 0.39 -0.85 0.00 0.00 174.74 175.26 1l5i n GLU 52 N -1.92 0.14 0.00 1.40 1.02 -1.26 -1.34 120.64 118.67 1l5i n GLU 52 Ca 0.06 0.19 0.15 0.00 -0.02 0.00 0.00 57.16 57.54 1l5i n GLU 52 Cb 0.54 -1.50 0.77 0.00 -0.02 0.00 0.00 31.44 31.23 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 -1.35 0.42 0.00 1.62 4.13 -1.26 -4.86 115.26 113.96 1l5i n ASN 53 Ca 0.06 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.37 1l5i n ASN 53 Cb 0.12 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 1l5i n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l5i n GLY 54 N 1.12 0.75 3.76 7.41 0.00 -0.45 -5.03 105.19 112.74 1l5i n GLY 54 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.25 4.12 -0.10 1.61 -1.05 -1.24 -4.92 118.70 116.87 1l5i s GLU 55 Ca 0.00 0.12 -0.30 0.00 -0.15 0.00 0.00 54.97 54.65 1l5i s GLU 55 Cb 0.00 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.29 1l5i s GLU 55 CO 0.00 0.36 1.24 -1.25 0.95 0.00 0.00 175.26 176.56 1l5i s PRO 56 N 0.10 4.29 0.18 -4.83 0.04 -1.26 -0.58 135.00 132.94 1l5i s PRO 56 Ca 0.17 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.00 1l5i s PRO 56 Cb -0.13 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1l5i s PRO 56 CO 0.05 -0.57 -0.13 -1.58 0.04 0.00 0.00 177.00 174.81 1l5i s HIS 57 N 2.80 2.55 0.01 0.56 2.46 0.92 0.77 115.29 125.37 1l5i s HIS 57 Ca 0.56 -0.25 0.05 0.00 0.47 0.00 0.00 55.06 55.89 1l5i s HIS 57 Cb -0.24 -1.25 -0.02 0.00 -0.13 0.00 0.00 32.58 30.95 1l5i s HIS 57 CO 0.19 0.51 -0.16 -1.17 -2.47 0.00 0.00 174.74 171.64 1l5i s LEU 58 N -2.80 2.09 -0.00 8.88 1.98 -0.87 -0.76 118.68 127.20 1l5i s LEU 58 Ca 0.24 -0.38 0.08 0.00 -2.89 0.00 0.00 54.13 51.18 1l5i s LEU 58 Cb -0.09 -0.79 -0.02 0.00 0.66 0.00 0.00 46.19 45.95 1l5i s LEU 58 CO 0.14 0.15 -0.25 -1.00 -1.89 0.00 0.00 176.35 173.49 1l5i s HIS 59 N -0.58 2.24 -0.00 5.38 3.76 0.15 -2.41 115.29 123.83 1l5i s HIS 59 Ca 0.05 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1l5i s HIS 59 Cb -0.07 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1l5i s HIS 59 CO 0.00 0.00 0.00 0.42 -0.85 0.00 0.00 174.74 174.31 1l5i s ILE 60 N -0.64 0.02 -0.16 0.60 1.01 -0.98 -0.99 121.20 120.05 1l5i s ILE 60 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1l5i s ILE 60 Cb -0.10 -0.04 0.06 0.00 0.01 0.00 0.00 42.46 42.39 1l5i s ILE 60 CO -0.00 0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.81 1l5i s LEU 61 N 0.15 0.56 0.14 2.97 1.98 0.14 -1.90 118.68 122.71 1l5i s LEU 61 Ca -0.01 -0.60 0.10 0.00 -2.89 0.00 0.00 54.13 50.73 1l5i s LEU 61 Cb -0.02 -0.33 -0.04 0.00 0.66 0.00 0.00 46.19 46.46 1l5i s LEU 61 CO -0.00 -0.33 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.27 1l5i s ILE 62 N 2.06 2.51 -0.11 6.68 1.01 -0.94 -0.44 121.20 131.97 1l5i s ILE 62 Ca 0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 60.65 58.92 1l5i s ILE 62 Cb -0.16 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1l5i s ILE 62 CO -0.08 0.04 0.02 0.00 0.00 0.00 0.00 174.94 174.92 1l5i s GLN 63 N -2.24 0.55 0.35 2.79 1.03 -1.04 -2.23 119.66 118.87 1l5i s GLN 63 Ca 0.17 -0.03 -0.05 0.00 0.04 0.00 0.00 55.36 55.49 1l5i s GLN 63 Cb -0.10 -1.31 -0.05 0.00 0.03 0.00 0.00 33.01 31.58 1l5i s GLN 63 CO 0.08 -0.42 0.62 -0.06 -2.54 0.00 0.00 175.29 172.98 1l5i s PHE 64 N 1.96 3.49 0.39 9.60 0.40 -0.97 -2.09 117.98 130.77 1l5i s PHE 64 Ca 0.03 0.67 0.07 0.00 -0.60 0.00 0.00 56.93 57.10 1l5i s PHE 64 Cb -0.14 -2.14 0.81 0.00 0.51 0.00 0.00 43.02 42.06 1l5i s PHE 64 CO -0.06 0.05 2.00 1.49 0.70 0.00 0.00 175.22 179.40 1l5i h GLU 65 N 1.21 0.46 -5.60 0.44 4.81 -1.77 -3.44 114.58 110.70 1l5i h GLU 65 Ca -0.48 -0.05 -0.46 0.00 -0.13 0.00 0.00 59.36 58.24 1l5i h GLU 65 Cb 1.20 -0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.34 1l5i h GLU 65 CO 0.64 0.39 -0.74 0.20 -0.73 0.00 0.00 179.01 178.77 1l5i s GLY 66 N -3.80 1.40 -0.05 1.92 0.00 -1.26 -5.05 107.32 100.48 1l5i s GLY 66 Ca -0.07 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 42.72 1l5i s GLY 66 CO 0.74 -1.71 2.01 0.28 0.00 0.00 0.00 173.10 174.42 1l5i n LYS 67 N -0.25 2.50 -3.66 2.90 5.02 -1.26 -4.73 118.16 118.68 1l5i n LYS 67 Ca -0.09 0.88 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 1l5i n LYS 67 Cb 0.60 -2.96 -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 5.23 3.67 -0.45 2.13 5.04 -0.27 -4.84 117.35 127.85 1l5i s TYR 68 Ca 0.93 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 56.18 1l5i s TYR 68 Cb -0.48 -2.14 0.04 0.00 0.35 0.00 0.00 41.96 39.74 1l5i s TYR 68 CO 0.43 0.67 0.43 1.21 -1.34 0.00 0.00 175.55 176.95 1l5i s ASN 69 N -1.15 6.17 -1.05 4.32 3.04 -1.26 -2.32 114.94 122.69 1l5i s ASN 69 Ca 0.21 -0.98 -0.03 0.00 0.04 0.00 0.00 52.86 52.11 1l5i s ASN 69 Cb -0.15 -2.21 0.31 0.00 -1.54 0.00 0.00 41.25 37.67 1l5i s ASN 69 CO 0.11 -0.63 1.57 0.00 -3.04 0.00 0.00 177.10 175.10 1l5i n THR 71 N 0.89 2.77 -3.59 0.00 5.66 -1.26 -2.90 114.28 115.85 1l5i n THR 71 Ca 0.32 -1.57 -0.00 0.00 -3.05 0.00 0.00 64.05 59.75 1l5i n THR 71 Cb 0.31 -0.63 -0.04 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 -0.82 -1.11 -0.30 1.09 2.47 -1.26 -4.74 114.94 110.28 1l5i s ASN 72 Ca 0.45 1.46 -0.00 0.00 0.42 0.00 0.00 52.86 55.18 1l5i s ASN 72 Cb 0.38 2.24 0.23 0.00 -1.45 0.00 0.00 41.25 42.65 1l5i s ASN 72 CO 0.08 -0.21 1.91 0.00 -3.72 0.00 0.00 177.10 175.15 1l5i n GLN 73 N 5.41 1.76 -0.00 0.43 10.64 -1.26 -3.62 117.38 130.74 1l5i n GLN 73 Ca -0.11 -1.53 0.02 0.00 -1.83 0.00 0.00 57.00 53.55 1l5i n GLN 73 Cb 0.49 -1.60 -0.03 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.23 1.40 0.07 2.61 1.74 -1.26 -4.44 116.66 117.01 1l5i n ARG 74 Ca 0.30 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 57.13 1l5i n ARG 74 Cb 0.67 -1.02 -0.12 0.00 -1.02 0.00 0.00 32.46 30.97 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 1.02 -0.28 -1.55 3.57 -2.00 -3.15 116.94 114.55 1l5i h PHE 75 Ca 0.00 -0.61 0.00 0.00 3.53 0.00 0.00 57.97 60.89 1l5i h PHE 75 Cb 0.19 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1l5i h PHE 75 CO 0.00 1.44 0.00 1.19 -2.23 0.00 0.00 178.31 178.71 1l5i n PHE 76 N -3.81 0.51 -1.95 0.41 3.72 -1.26 -4.85 117.46 110.22 1l5i n PHE 76 Ca -0.12 -0.22 -0.42 0.00 -0.05 0.00 0.00 57.45 56.63 1l5i n PHE 76 Cb 0.94 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 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 -0.83 5.73 -0.12 4.37 1.01 -1.19 -4.43 116.67 121.21 1l5i s ASP 77 Ca 0.20 1.24 -0.04 0.00 0.71 0.00 0.00 52.55 54.67 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 -1.85 0.02 -0.76 0.21 0.00 0.00 175.17 172.91 1l5i s LEU 78 N 7.44 3.65 0.29 1.23 1.43 -0.96 -4.97 118.68 126.80 1l5i s LEU 78 Ca 0.81 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1l5i s LEU 78 Cb -0.22 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1l5i s LEU 78 CO 0.32 0.31 -0.09 0.68 0.23 0.00 0.00 176.35 177.81 1l5i s VAL 79 N -0.49 1.89 -0.27 -1.59 -7.23 -1.26 0.32 120.40 111.77 1l5i s VAL 79 Ca 0.09 -2.18 -0.24 0.00 -1.81 0.00 0.00 61.98 57.84 1l5i s VAL 79 Cb -0.12 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 1l5i s VAL 79 CO 0.02 -0.29 0.82 -0.55 -0.31 0.00 0.00 175.10 174.79 1l5i s SER 80 N -3.49 6.76 0.00 4.85 0.15 0.13 -4.90 113.70 117.19 1l5i s SER 80 Ca 0.30 0.87 0.23 0.00 0.70 0.00 0.00 55.95 58.05 1l5i s SER 80 Cb 0.02 -2.43 1.28 0.00 -1.71 0.00 0.00 66.02 63.18 1l5i s SER 80 CO 0.13 -0.57 1.77 -0.81 1.20 0.00 0.00 173.24 174.96 1l5i n PRO 81 N 6.13 0.51 -0.01 5.44 -0.04 -1.26 -2.55 135.00 143.23 1l5i n PRO 81 Ca 0.05 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1l5i n PRO 81 Cb 0.48 -1.50 -0.06 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 -1.16 0.04 -4.24 0.52 -2.24 -1.26 -5.01 114.28 100.93 1l5i n THR 82 Ca 0.14 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1l5i n THR 82 Cb 0.14 0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.49 0.67 -0.95 -0.78 3.52 -1.06 -5.03 118.95 112.83 1l5i s ARG 83 Ca -0.03 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1l5i s ARG 83 Cb 0.05 -0.60 -0.12 0.00 -1.56 0.00 0.00 34.95 32.72 1l5i s ARG 83 CO 0.31 0.15 2.74 0.45 -0.81 0.00 0.00 175.30 178.14 1l5i n SER 84 N 2.23 6.35 -4.06 -2.12 2.88 -1.26 -3.82 113.62 113.81 1l5i n SER 84 Ca -0.17 -2.42 -0.23 0.00 -1.33 0.00 0.00 58.87 54.72 1l5i n SER 84 Cb 0.56 -1.31 -0.16 0.00 -0.75 0.00 0.00 64.21 62.56 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 2.31 1.15 0.05 -1.46 0.00 -1.26 -5.04 121.76 117.51 1l5i s ALA 85 Ca 0.56 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1l5i s ALA 85 Cb 0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1l5i s ALA 85 CO -0.03 0.21 0.02 -1.01 0.00 0.00 0.00 175.76 174.95 1l5i s HIS 86 N 0.07 3.08 -0.04 0.00 3.76 -1.26 -0.70 115.29 120.21 1l5i s HIS 86 Ca -0.02 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1l5i s HIS 86 Cb -0.09 -1.62 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 1l5i s HIS 86 CO 0.01 0.49 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.16 1l5i s PHE 87 N -1.24 1.69 -0.44 1.40 0.08 0.15 -4.97 117.98 114.64 1l5i s PHE 87 Ca 0.24 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 1l5i s PHE 87 Cb -0.12 -1.13 0.11 0.00 -0.57 0.00 0.00 43.02 41.31 1l5i s PHE 87 CO 0.16 -0.15 0.28 -1.58 -0.10 0.00 0.00 175.22 173.84 1l5i s HIS 88 N -0.02 3.48 0.61 0.36 5.65 -1.26 -2.26 115.29 121.85 1l5i s HIS 88 Ca -0.02 -2.07 -0.14 0.00 0.25 0.00 0.00 55.06 53.08 1l5i s HIS 88 Cb -0.11 -3.35 -0.03 0.00 -1.18 0.00 0.00 32.58 27.91 1l5i s HIS 88 CO 0.02 -0.98 1.05 -1.25 -0.65 0.00 0.00 174.74 172.93 1l5i s PRO 89 N 1.28 3.28 -0.27 2.88 0.04 -1.26 -4.97 135.00 135.98 1l5i s PRO 89 Ca 0.06 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.07 1l5i s PRO 89 Cb -0.25 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1l5i s PRO 89 CO -0.02 -0.83 0.37 -0.80 0.04 0.00 0.00 177.00 175.76 1l5i s ASN 90 N -3.09 6.25 0.02 6.66 0.01 -0.93 -4.88 114.94 118.98 1l5i s ASN 90 Ca 0.62 0.29 -0.25 0.00 -0.71 0.00 0.00 52.86 52.81 1l5i s ASN 90 Cb -0.15 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1l5i s ASN 90 CO 0.41 -0.18 0.76 -0.63 -1.51 0.00 0.00 177.10 175.95 1l5i s ILE 91 N 2.07 4.80 -0.03 0.60 1.01 -1.26 -2.33 121.20 126.06 1l5i s ILE 91 Ca 0.15 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.42 1l5i s ILE 91 Cb -0.16 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.22 1l5i s ILE 91 CO 0.10 0.33 -0.04 -1.10 0.00 0.00 0.00 174.94 174.23 1l5i s GLN 92 N 0.15 0.64 -0.23 2.79 -0.21 -0.08 -4.96 119.66 117.78 1l5i s GLN 92 Ca 0.39 -0.12 -0.17 0.00 0.02 0.00 0.00 55.36 55.48 1l5i s GLN 92 Cb -0.20 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.11 1l5i s GLN 92 CO 0.22 -0.01 0.44 0.20 -2.12 0.00 0.00 175.29 174.02 1l5i s GLY 93 N 0.56 1.99 -0.36 3.09 0.00 -1.26 0.17 107.32 111.51 1l5i s GLY 93 Ca -0.07 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 1l5i s GLY 93 CO -0.00 0.98 1.25 0.00 0.00 0.00 0.00 173.10 175.33 1l5i s ALA 94 N 1.72 3.29 -1.41 3.20 0.00 -0.90 -4.85 121.76 122.80 1l5i s ALA 94 Ca 0.19 -0.09 0.18 0.00 0.00 0.00 0.00 51.96 52.25 1l5i s ALA 94 Cb -0.15 -3.81 0.92 0.00 0.00 0.00 0.00 23.12 20.08 1l5i s ALA 94 CO 0.09 -1.93 1.56 1.17 0.00 0.00 0.00 175.76 176.64 1l5i n LYS 95 N 7.48 0.25 -2.82 0.00 4.81 -1.26 -4.60 118.16 122.03 1l5i n LYS 95 Ca 0.14 0.11 -0.21 0.00 -0.87 0.00 0.00 58.31 57.48 1l5i n LYS 95 Cb 0.47 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 34.10 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1l5i s SER 96 N -2.59 4.89 0.09 3.14 0.01 -1.26 -5.07 113.70 112.91 1l5i s SER 96 Ca 0.17 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1l5i s SER 96 Cb 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1l5i s SER 96 CO 0.28 -1.46 0.00 -0.24 0.41 0.00 0.00 173.24 172.23 1l5i n SER 97 N -2.44 0.29 0.12 2.44 2.88 -1.26 -4.85 113.62 110.80 1l5i n SER 97 Ca 0.14 0.15 0.01 0.00 -1.33 0.00 0.00 58.87 57.83 1l5i n SER 97 Cb 0.61 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1l5i n SER 97 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1l5i h SER 98 N 0.00 0.00 -0.57 -3.46 0.02 -2.00 -3.21 113.55 104.33 1l5i h SER 98 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1l5i h SER 98 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1l5i h SER 98 CO 0.00 0.60 0.78 -0.78 -1.14 0.00 0.00 176.83 176.29 1l5i h ASP 99 N 0.00 0.00 -0.22 3.07 3.58 -2.00 2.12 116.42 122.97 1l5i h ASP 99 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1l5i h ASP 99 Cb 1.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1l5i h ASP 99 CO 0.08 0.00 -0.23 -0.37 -2.88 0.00 0.00 179.24 175.84 1l5i h VAL 100 N 0.00 1.27 -0.53 2.25 -1.51 -1.90 -2.54 116.25 113.28 1l5i h VAL 100 Ca 0.27 -1.32 -0.10 0.00 -1.23 0.00 0.00 66.70 64.33 1l5i h VAL 100 Cb 1.82 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 32.22 1l5i h VAL 100 CO -0.00 0.43 -0.05 0.50 -1.23 0.00 0.00 177.57 177.22 1l5i h LYS 101 N 0.60 0.95 -0.38 5.19 3.11 0.32 0.10 116.57 126.46 1l5i h LYS 101 Ca 0.08 -0.31 0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1l5i h LYS 101 Cb 0.72 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.83 1l5i h LYS 101 CO 0.05 0.97 0.16 0.77 -2.81 0.00 0.00 179.45 178.60 1l5i h SER 102 N 0.86 0.22 0.26 4.20 0.02 -1.17 -1.09 113.55 116.85 1l5i h SER 102 Ca 0.15 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1l5i h SER 102 Cb 0.58 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1l5i h SER 102 CO 0.03 0.17 -0.56 0.22 -1.14 0.00 0.00 176.83 175.55 1l5i h TYR 103 N 0.34 0.41 -0.37 3.45 3.20 -1.23 -2.84 116.97 119.93 1l5i h TYR 103 Ca 0.17 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1l5i h TYR 103 Cb 0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1l5i h TYR 103 CO -0.12 0.81 0.24 0.82 -1.64 0.00 0.00 178.16 178.27 1l5i h ILE 104 N 0.25 1.07 -0.01 1.81 2.04 -0.03 0.12 117.51 122.75 1l5i h ILE 104 Ca 0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1l5i h ILE 104 Cb 1.06 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1l5i h ILE 104 CO 0.09 0.08 -0.33 -0.78 0.00 0.00 0.00 178.15 177.22 1l5i h ASP 105 N 0.45 0.02 -0.22 1.72 1.82 -0.97 -3.33 116.42 115.91 1l5i h ASP 105 Ca 0.14 -0.01 -0.62 0.00 -0.39 0.00 0.00 57.03 56.15 1l5i h ASP 105 Cb 0.01 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1l5i h ASP 105 CO -0.03 0.35 2.33 0.29 -1.61 0.00 0.00 179.24 180.57 1l5i n LYS 106 N -4.14 2.21 -1.49 0.28 5.02 0.43 -4.91 118.16 115.57 1l5i n LYS 106 Ca -0.02 -2.42 -0.19 0.00 -2.02 0.00 0.00 58.31 53.66 1l5i n LYS 106 Cb 0.37 -3.27 0.13 0.00 -0.02 0.00 0.00 35.03 32.25 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1l5i n ASP 107 N 8.39 0.28 0.00 4.39 5.68 -1.25 -5.02 116.55 129.01 1l5i n ASP 107 Ca 0.49 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 1l5i n ASP 107 Cb 0.42 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l5i n GLY 108 N -0.90 1.95 3.40 6.12 0.00 -1.26 -5.00 105.19 109.50 1l5i n GLY 108 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.42 -4.12 1.61 8.00 -1.26 -4.88 116.55 109.48 1l5i n ASP 109 Ca 0.00 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 54.92 1l5i n ASP 109 Cb 0.00 -3.61 -0.10 0.00 -0.02 0.00 0.00 41.12 37.40 1l5i n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1l5i s VAL 110 N -2.99 0.11 -0.21 2.53 0.11 -1.26 -4.38 120.40 114.31 1l5i s VAL 110 Ca 0.00 -1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 57.14 1l5i s VAL 110 Cb -0.00 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 1l5i s VAL 110 CO 0.82 -0.51 0.07 -0.22 -3.33 0.00 0.00 175.10 171.93 1l5i s LEU 111 N -3.02 3.63 -0.21 2.54 0.20 0.10 -5.00 118.68 116.91 1l5i s LEU 111 Ca 0.21 -0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.91 1l5i s LEU 111 Cb 0.07 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.86 1l5i s LEU 111 CO 0.00 0.07 0.03 -1.61 -0.29 0.00 0.00 176.35 174.56 1l5i s GLU 112 N 0.97 3.70 0.01 1.98 8.01 -1.26 -2.26 118.70 129.84 1l5i s GLU 112 Ca 0.04 -0.47 0.01 0.00 0.01 0.00 0.00 54.97 54.55 1l5i s GLU 112 Cb -0.14 -3.18 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 1l5i s GLU 112 CO 0.03 -0.00 -0.03 -0.46 0.01 0.00 0.00 175.26 174.81 1l5i s TRP 113 N 1.07 0.25 0.20 1.61 -0.00 -0.64 -5.04 118.94 116.39 1l5i s TRP 113 Ca 0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 55.96 1l5i s TRP 113 Cb -0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.17 1l5i s TRP 113 CO 0.02 -0.05 0.00 0.41 -0.00 0.00 0.00 176.95 177.34 1l5i n GLY 114 N 2.60 -1.92 3.08 5.86 0.00 -1.26 0.45 105.19 114.01 1l5i n GLY 114 Ca -0.16 -1.33 -0.30 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 -2.08 1.67 0.43 2.61 2.01 -1.21 -4.63 115.64 114.44 1l5i s THR 115 Ca 0.00 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1l5i s THR 115 Cb 0.00 -1.51 -0.11 0.00 0.01 0.00 0.00 72.50 70.89 1l5i s THR 115 CO 0.00 0.47 0.96 0.12 -0.69 0.00 0.00 174.62 175.48 1l5i s PHE 116 N 1.02 3.30 -0.19 4.92 2.19 -1.26 -3.96 117.98 123.99 1l5i s PHE 116 Ca -0.05 1.60 -0.05 0.00 0.33 0.00 0.00 56.93 58.77 1l5i s PHE 116 Cb -0.15 -2.86 0.10 0.00 -1.31 0.00 0.00 43.02 38.80 1l5i s PHE 116 CO -0.03 -0.15 0.36 1.14 1.83 0.00 0.00 175.22 178.36 1l5i s GLN 117 N -3.21 0.28 -0.39 10.12 -2.07 -1.26 -5.03 119.66 118.10 1l5i s GLN 117 Ca 0.62 0.77 -0.27 0.00 -1.82 0.00 0.00 55.36 54.66 1l5i s GLN 117 Cb -0.09 -0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.76 1l5i s GLN 117 CO 0.14 -0.39 1.01 0.42 -1.32 0.00 0.00 175.29 175.14 1l5i s ILE 118 N 2.53 4.47 -0.44 3.63 1.01 -1.26 -4.98 121.20 126.16 1l5i s ILE 118 Ca 0.04 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 1l5i s ILE 118 Cb -0.13 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 37.94 1l5i s ILE 118 CO -0.12 -0.66 1.24 -0.62 0.00 0.00 0.00 174.94 174.78 1l5i s ASP 119 N 1.99 6.53 0.00 3.58 2.15 -1.26 -4.79 116.67 124.88 1l5i s ASP 119 Ca 0.42 0.64 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1l5i s ASP 119 Cb -0.11 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1l5i s ASP 119 CO 0.21 -1.31 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 1l5i n GLY 120 N 4.89 0.32 0.00 2.66 0.00 -1.26 -5.18 105.19 106.62 1l5i n GLY 120 Ca 0.14 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1l5i n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86