#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 -0.52 3.21 0.23 0.00 -1.26 -5.11 105.19 101.74 1l5i n GLY 5 Ca 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1l5i n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l5i s ARG 6 N -4.29 0.94 -0.66 1.61 0.52 -1.26 -5.10 118.95 110.72 1l5i s ARG 6 Ca 0.00 -1.25 -0.28 0.00 -0.52 0.00 0.00 55.73 53.69 1l5i s ARG 6 Cb 0.00 -0.65 0.03 0.00 0.52 0.00 0.00 34.95 34.85 1l5i s ARG 6 CO 0.00 0.10 1.28 0.12 0.02 0.00 0.00 175.30 176.83 1l5i s PHE 7 N -2.58 2.38 -0.19 -0.53 5.36 -1.26 -4.96 117.98 116.20 1l5i s PHE 7 Ca 0.09 0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1l5i s PHE 7 Cb -0.02 -4.54 0.06 0.00 -0.34 0.00 0.00 43.02 38.17 1l5i s PHE 7 CO 0.01 -1.90 0.01 -1.54 -1.46 0.00 0.00 175.22 170.34 1l5i s SER 8 N 3.68 3.05 -0.13 6.13 1.04 -1.26 -4.13 113.70 122.08 1l5i s SER 8 Ca 0.41 -0.85 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1l5i s SER 8 Cb -0.08 -0.74 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1l5i s SER 8 CO 0.20 -0.28 0.01 -0.63 0.98 0.00 0.00 173.24 173.53 1l5i s ILE 9 N 1.74 4.35 -0.19 -1.02 1.01 -1.15 -4.91 121.20 121.03 1l5i s ILE 9 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1l5i s ILE 9 Cb -0.17 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1l5i s ILE 9 CO -0.07 0.53 0.03 -0.54 0.00 0.00 0.00 174.94 174.89 1l5i s LYS 10 N -0.17 0.67 0.16 2.79 -0.14 -1.26 0.89 119.74 122.68 1l5i s LYS 10 Ca 0.05 -0.41 -0.24 0.00 -1.36 0.00 0.00 55.97 54.01 1l5i s LYS 10 Cb -0.12 -2.08 0.06 0.00 -1.68 0.00 0.00 37.83 34.01 1l5i s LYS 10 CO 0.02 -0.63 0.74 0.00 -0.76 0.00 0.00 175.35 174.72 1l5i s ALA 11 N 1.85 -1.56 -0.17 5.17 0.00 -0.96 -4.96 121.76 121.14 1l5i s ALA 11 Ca -0.01 0.35 0.18 0.00 0.00 0.00 0.00 51.96 52.48 1l5i s ALA 11 Cb -0.17 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1l5i s ALA 11 CO -0.08 -0.86 1.08 -0.22 0.00 0.00 0.00 175.76 175.69 1l5i h LYS 12 N 2.00 0.00 -6.05 0.00 3.11 -1.85 -0.05 116.57 113.73 1l5i h LYS 12 Ca -0.27 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 56.89 1l5i h LYS 12 Cb 1.27 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.25 1l5i h LYS 12 CO 0.31 0.28 -0.78 -0.80 -2.81 0.00 0.00 179.45 175.65 1l5i s ASN 13 N -5.92 3.93 -0.02 4.20 0.01 -1.26 -2.29 114.94 113.58 1l5i s ASN 13 Ca 0.00 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1l5i s ASN 13 Cb 0.08 -1.03 0.00 0.00 0.41 0.00 0.00 41.25 40.71 1l5i s ASN 13 CO 0.78 0.29 -0.07 -0.31 -1.51 0.00 0.00 177.10 176.28 1l5i s TYR 14 N -0.40 0.78 -0.12 2.20 2.02 -1.01 -2.17 117.35 118.65 1l5i s TYR 14 Ca 0.04 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1l5i s TYR 14 Cb -0.12 -0.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 1l5i s TYR 14 CO 0.02 -0.08 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.63 1l5i s PHE 15 N 0.21 2.57 -0.15 2.71 0.40 0.11 -2.40 117.98 121.44 1l5i s PHE 15 Ca -0.03 -1.17 -0.05 0.00 -0.60 0.00 0.00 56.93 55.08 1l5i s PHE 15 Cb -0.08 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 1l5i s PHE 15 CO 0.00 -0.50 0.03 -0.51 0.70 0.00 0.00 175.22 174.94 1l5i s LEU 16 N 0.57 3.68 -0.19 -0.37 2.01 -0.87 -1.41 118.68 122.10 1l5i s LEU 16 Ca -0.13 0.08 0.01 0.00 0.01 0.00 0.00 54.13 54.10 1l5i s LEU 16 Cb -0.17 -1.90 0.03 0.00 0.01 0.00 0.00 46.19 44.16 1l5i s LEU 16 CO 0.04 0.24 -0.17 -0.89 1.01 0.00 0.00 176.35 176.58 1l5i s THR 17 N -0.04 2.00 -0.41 5.49 2.01 -0.99 -2.12 115.64 121.58 1l5i s THR 17 Ca 0.05 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 60.95 1l5i s THR 17 Cb -0.12 -1.88 0.09 0.00 0.01 0.00 0.00 72.50 70.60 1l5i s THR 17 CO 0.01 0.41 0.23 -0.31 -0.69 0.00 0.00 174.62 174.27 1l5i s TYR 18 N 1.29 3.43 0.20 4.92 1.51 -0.80 -1.79 117.35 126.10 1l5i s TYR 18 Ca 0.02 -1.93 -0.30 0.00 -1.01 0.00 0.00 57.07 53.86 1l5i s TYR 18 Cb -0.14 -3.05 -0.08 0.00 -0.11 0.00 0.00 41.96 38.58 1l5i s TYR 18 CO -0.11 -0.91 1.11 -1.25 -1.11 0.00 0.00 175.55 173.28 1l5i s PRO 19 N 1.30 4.59 -1.58 -1.71 0.04 -1.26 -2.05 135.00 134.33 1l5i s PRO 19 Ca 0.04 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1l5i s PRO 19 Cb -0.23 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1l5i s PRO 19 CO -0.01 0.08 0.08 1.17 0.04 0.00 0.00 177.00 178.36 1l5i n LYS 20 N 2.18 -0.91 -3.75 4.56 4.81 -0.81 -4.88 118.16 119.38 1l5i n LYS 20 Ca 0.02 0.10 -0.37 0.00 -0.87 0.00 0.00 58.31 57.19 1l5i n LYS 20 Cb 0.46 -3.69 -0.12 0.00 0.02 0.00 0.00 35.03 31.69 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 2.10 -4.76 0.00 2.03 -1.26 -4.55 116.55 115.03 1l5i n ASP 22 Ca -0.16 -2.18 -0.41 0.00 0.52 0.00 0.00 54.79 52.57 1l5i n ASP 22 Cb 0.51 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 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 4.40 0.62 -2.67 2.96 -1.26 -5.00 118.68 116.73 1l5i s LEU 23 Ca 0.19 2.69 -0.08 0.00 -0.22 0.00 0.00 54.13 56.70 1l5i s LEU 23 Cb 0.12 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1l5i s LEU 23 CO 0.09 -0.64 0.97 0.42 -1.32 0.00 0.00 176.35 175.86 1l5i s THR 24 N -0.50 3.78 0.30 3.68 -4.23 -1.26 -4.93 115.64 112.48 1l5i s THR 24 Ca 0.55 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 61.41 1l5i s THR 24 Cb -0.41 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 69.91 1l5i s THR 24 CO 0.48 -0.60 1.68 0.11 -0.54 0.00 0.00 174.62 175.74 1l5i h LYS 25 N -0.31 0.01 -0.45 3.99 6.56 -1.97 -0.65 116.57 123.75 1l5i h LYS 25 Ca -0.45 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.05 1l5i h LYS 25 Cb 1.25 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.89 1l5i h LYS 25 CO 0.62 0.55 -0.03 0.93 -2.06 0.00 0.00 179.45 179.46 1l5i h GLU 26 N 0.01 0.81 -0.20 3.15 5.08 -1.96 1.54 114.58 123.01 1l5i h GLU 26 Ca -0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 1l5i h GLU 26 Cb 0.96 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1l5i h GLU 26 CO 0.07 0.88 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.64 1l5i h ASN 27 N 0.65 0.70 -0.42 1.42 -0.26 -1.91 0.55 115.58 116.31 1l5i h ASN 27 Ca 0.12 -0.55 -0.13 0.00 -0.56 0.00 0.00 56.30 55.18 1l5i h ASN 27 Cb 0.54 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1l5i h ASN 27 CO 0.03 1.12 -0.26 0.00 -1.06 0.00 0.00 177.43 177.27 1l5i h ALA 28 N 0.60 0.60 -0.35 -0.83 0.00 -1.01 0.56 119.26 118.82 1l5i h ALA 28 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1l5i h ALA 28 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1l5i h ALA 28 CO 0.09 0.61 -0.27 1.25 0.00 0.00 0.00 179.25 180.93 1l5i h LEU 29 N 0.74 0.85 -0.22 0.00 7.12 0.22 0.58 115.31 124.60 1l5i h LEU 29 Ca 0.09 -0.44 -0.05 0.00 0.13 0.00 0.00 57.88 57.60 1l5i h LEU 29 Cb 0.84 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1l5i h LEU 29 CO 0.07 1.11 -0.05 -1.28 -0.13 0.00 0.00 178.44 178.16 1l5i h SER 30 N 0.59 0.43 -0.10 1.25 0.87 0.24 0.64 113.55 117.47 1l5i h SER 30 Ca 0.07 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1l5i h SER 30 Cb 0.84 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1l5i h SER 30 CO 0.07 0.70 -0.01 1.56 -0.53 0.00 0.00 176.83 178.62 1l5i h GLN 31 N 0.16 0.18 -0.34 2.24 4.20 0.18 0.47 115.11 122.20 1l5i h GLN 31 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1l5i h GLN 31 Cb 0.51 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1l5i h GLN 31 CO 0.02 0.47 0.14 0.82 -0.67 0.00 0.00 178.83 179.61 1l5i h ILE 32 N -0.11 1.18 -0.62 2.54 1.08 0.18 0.70 117.51 122.46 1l5i h ILE 32 Ca 0.03 -0.54 -0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1l5i h ILE 32 Cb 0.39 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1l5i h ILE 32 CO 0.01 0.19 0.17 0.74 -0.69 0.00 0.00 178.15 178.57 1l5i h THR 33 N 0.40 1.24 0.00 -0.27 2.02 0.36 -0.86 112.91 115.80 1l5i h THR 33 Ca 0.11 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1l5i h THR 33 Cb 0.17 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1l5i h THR 33 CO -0.01 0.32 -0.06 0.59 0.37 0.00 0.00 175.52 176.74 1l5i n ASN 34 N -4.27 0.06 -4.65 4.18 5.03 0.16 -4.76 115.26 111.01 1l5i n ASN 34 Ca 0.05 0.42 -0.43 0.00 0.87 0.00 0.00 54.58 55.49 1l5i n ASN 34 Cb 0.22 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.54 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 -3.00 4.13 0.65 3.41 1.02 0.24 -5.01 118.68 120.12 1l5i s LEU 35 Ca 0.14 1.64 -0.10 0.00 0.02 0.00 0.00 54.13 55.82 1l5i s LEU 35 Cb 0.19 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.86 1l5i s LEU 35 CO 0.55 -0.85 1.03 0.00 0.02 0.00 0.00 176.35 177.10 1l5i s GLN 36 N 3.70 3.12 0.06 1.70 -2.07 -1.26 -4.95 119.66 119.95 1l5i s GLN 36 Ca 0.57 0.45 -0.09 0.00 -1.82 0.00 0.00 55.36 54.47 1l5i s GLN 36 Cb -0.22 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 1l5i s GLN 36 CO 0.17 -0.80 0.19 -0.08 -1.32 0.00 0.00 175.29 173.45 1l5i s THR 37 N -3.21 0.13 -1.73 3.63 -1.32 -1.26 -5.02 115.64 106.85 1l5i s THR 37 Ca 0.56 -1.03 0.23 0.00 -1.21 0.00 0.00 61.69 60.24 1l5i s THR 37 Cb -0.11 -1.10 0.55 0.00 -1.51 0.00 0.00 72.50 70.33 1l5i s THR 37 CO 0.51 -0.57 1.77 -0.81 -2.21 0.00 0.00 174.62 173.31 1l5i n PRO 38 N 0.36 0.55 0.00 7.08 -0.04 -1.26 -4.58 135.00 137.11 1l5i n PRO 38 Ca -0.17 0.03 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 -1.13 0.00 -3.64 0.52 5.66 -1.26 -5.12 114.28 109.31 1l5i n THR 39 Ca 0.15 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.06 1l5i n THR 39 Cb 0.13 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.84 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 0.66 -0.40 0.27 1.09 2.47 -1.26 -5.00 114.94 112.78 1l5i s ASN 40 Ca 0.00 0.76 -0.08 0.00 0.42 0.00 0.00 52.86 53.96 1l5i s ASN 40 Cb 0.00 0.78 -0.06 0.00 -1.45 0.00 0.00 41.25 40.52 1l5i s ASN 40 CO 0.00 -0.13 0.57 -0.54 -3.72 0.00 0.00 177.10 173.28 1l5i s LYS 41 N 0.22 3.73 0.00 0.43 1.02 -1.26 -2.05 119.74 121.84 1l5i s LYS 41 Ca 0.04 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1l5i s LYS 41 Cb -0.05 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1l5i s LYS 41 CO -0.08 0.24 0.00 1.28 -0.92 0.00 0.00 175.35 175.87 1l5i n LEU 42 N -0.57 0.00 -4.86 3.17 4.32 -0.88 -4.84 117.00 113.34 1l5i n LEU 42 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 1l5i n LEU 42 Cb 0.53 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 1l5i n LEU 42 CO 0.47 0.00 -0.19 0.12 -1.22 0.00 0.00 177.39 176.56 1l5i s PHE 43 N 0.00 3.37 -0.08 -1.77 5.36 -1.24 -3.13 117.98 120.48 1l5i s PHE 43 Ca 0.00 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1l5i s PHE 43 Cb 0.00 -1.68 0.04 0.00 -0.34 0.00 0.00 43.02 41.04 1l5i s PHE 43 CO 0.00 0.55 0.07 0.42 -1.46 0.00 0.00 175.22 174.81 1l5i s ILE 44 N -1.50 -0.11 -0.19 3.12 1.01 0.18 -2.61 121.20 121.11 1l5i s ILE 44 Ca 0.33 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 1l5i s ILE 44 Cb -0.12 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1l5i s ILE 44 CO 0.26 0.03 -0.14 -0.75 0.00 0.00 0.00 174.94 174.33 1l5i s LYS 45 N 2.16 3.14 -0.21 2.79 2.20 0.30 -1.89 119.74 128.23 1l5i s LYS 45 Ca 0.04 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1l5i s LYS 45 Cb -0.13 -2.72 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1l5i s LYS 45 CO -0.05 -0.18 -0.16 0.42 -0.36 0.00 0.00 175.35 175.03 1l5i s ILE 46 N 1.29 2.16 -0.02 5.43 1.01 -0.99 0.01 121.20 130.09 1l5i s ILE 46 Ca 0.04 -1.18 0.05 0.00 0.00 0.00 0.00 60.65 59.56 1l5i s ILE 46 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1l5i s ILE 46 CO -0.08 0.32 -0.16 0.00 0.00 0.00 0.00 174.94 175.02 1l5i s ARG 48 N -0.30 3.62 -0.03 0.00 3.52 -1.26 0.31 118.95 124.82 1l5i s ARG 48 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1l5i s ARG 48 Cb -0.07 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 1l5i s ARG 48 CO -0.00 0.65 -0.06 -2.00 -0.81 0.00 0.00 175.30 173.08 1l5i s GLU 49 N -1.69 0.74 -0.11 5.12 2.12 0.87 -4.91 118.70 120.84 1l5i s GLU 49 Ca 0.27 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 55.30 1l5i s GLU 49 Cb -0.13 -0.73 -0.05 0.00 0.26 0.00 0.00 34.13 33.48 1l5i s GLU 49 CO 0.15 0.03 0.27 -0.51 -0.54 0.00 0.00 175.26 174.67 1l5i s LEU 50 N 0.43 4.34 0.32 2.70 2.01 -1.26 0.50 118.68 127.71 1l5i s LEU 50 Ca -0.06 0.60 -0.05 0.00 0.01 0.00 0.00 54.13 54.64 1l5i s LEU 50 Cb -0.10 -2.34 -0.05 0.00 0.01 0.00 0.00 46.19 43.72 1l5i s LEU 50 CO 0.00 0.24 0.59 -1.00 1.01 0.00 0.00 176.35 177.19 1l5i s HIS 51 N -0.32 3.49 -1.32 0.29 3.76 -0.56 -4.91 115.29 115.72 1l5i s HIS 51 Ca 0.18 0.65 0.20 0.00 -0.15 0.00 0.00 55.06 55.94 1l5i s HIS 51 Cb -0.14 -2.12 0.98 0.00 1.11 0.00 0.00 32.58 32.41 1l5i s HIS 51 CO 0.06 0.11 1.64 -0.85 -0.85 0.00 0.00 174.74 174.85 1l5i n GLU 52 N -1.17 0.21 0.00 1.40 0.28 -1.26 -1.79 120.64 118.31 1l5i n GLU 52 Ca -0.02 0.11 0.14 0.00 -0.16 0.00 0.00 57.16 57.24 1l5i n GLU 52 Cb 0.54 -1.50 0.57 0.00 1.43 0.00 0.00 31.44 32.49 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 1.19 0.00 -1.84 4.13 -1.26 -4.88 115.26 111.26 1l5i n ASN 53 Ca 0.08 -1.32 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1l5i n ASN 53 Cb 0.18 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 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 1.17 0.69 3.73 7.41 0.00 -0.74 -5.03 105.19 112.42 1l5i n GLY 54 Ca 0.19 0.00 -0.36 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 -0.20 4.26 -0.09 1.61 -1.05 -1.25 -4.92 118.70 117.06 1l5i s GLU 55 Ca 0.00 0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1l5i s GLU 55 Cb 0.00 -3.43 -0.03 0.00 -0.44 0.00 0.00 34.13 30.23 1l5i s GLU 55 CO 0.00 0.23 1.23 -1.25 0.95 0.00 0.00 175.26 176.42 1l5i s PRO 56 N 0.50 4.31 0.11 -4.83 0.04 -1.26 -1.49 135.00 132.37 1l5i s PRO 56 Ca 0.17 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1l5i s PRO 56 Cb -0.13 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1l5i s PRO 56 CO 0.04 -0.54 -0.07 -1.58 0.04 0.00 0.00 177.00 174.89 1l5i s HIS 57 N 2.66 2.81 0.00 0.56 2.46 0.18 -0.34 115.29 123.62 1l5i s HIS 57 Ca 0.56 -0.12 0.06 0.00 0.47 0.00 0.00 55.06 56.02 1l5i s HIS 57 Cb -0.24 -1.45 -0.02 0.00 -0.13 0.00 0.00 32.58 30.74 1l5i s HIS 57 CO 0.20 0.45 -0.18 -1.17 -2.47 0.00 0.00 174.74 171.57 1l5i s LEU 58 N -2.31 2.08 0.07 8.88 1.98 -0.87 -0.09 118.68 128.41 1l5i s LEU 58 Ca 0.23 -0.37 0.09 0.00 -2.89 0.00 0.00 54.13 51.18 1l5i s LEU 58 Cb -0.11 -0.89 -0.03 0.00 0.66 0.00 0.00 46.19 45.82 1l5i s LEU 58 CO 0.15 0.19 -0.24 -1.00 -1.89 0.00 0.00 176.35 173.56 1l5i s HIS 59 N -0.54 2.07 -0.01 5.38 3.76 0.15 -1.91 115.29 124.19 1l5i s HIS 59 Ca 0.06 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1l5i s HIS 59 Cb -0.07 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.42 1l5i s HIS 59 CO 0.00 0.16 0.03 0.42 -0.85 0.00 0.00 174.74 174.50 1l5i s ILE 60 N -0.89 0.00 -0.17 0.60 1.01 -0.90 -1.43 121.20 119.42 1l5i s ILE 60 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1l5i s ILE 60 Cb -0.10 -0.06 0.06 0.00 0.01 0.00 0.00 42.46 42.38 1l5i s ILE 60 CO 0.03 -0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.80 1l5i s LEU 61 N -0.04 0.54 0.18 2.97 1.98 0.10 -2.04 118.68 122.37 1l5i s LEU 61 Ca -0.01 -0.61 0.11 0.00 -2.89 0.00 0.00 54.13 50.73 1l5i s LEU 61 Cb -0.01 -0.33 -0.04 0.00 0.66 0.00 0.00 46.19 46.48 1l5i s LEU 61 CO 0.00 -0.33 -0.24 -0.63 -1.89 0.00 0.00 176.35 173.26 1l5i s ILE 62 N 2.07 2.29 -0.05 6.68 1.01 -1.01 -0.54 121.20 131.65 1l5i s ILE 62 Ca 0.01 -1.96 -0.00 0.00 0.00 0.00 0.00 60.65 58.71 1l5i s ILE 62 Cb -0.16 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1l5i s ILE 62 CO -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 174.94 174.76 1l5i s GLN 63 N -2.52 0.60 0.20 2.79 -2.07 -1.07 -2.40 119.66 115.19 1l5i s GLN 63 Ca 0.19 0.03 0.05 0.00 -1.82 0.00 0.00 55.36 53.80 1l5i s GLN 63 Cb -0.08 -0.80 -0.03 0.00 -1.09 0.00 0.00 33.01 31.00 1l5i s GLN 63 CO 0.09 -0.18 0.27 -0.06 -1.32 0.00 0.00 175.29 174.09 1l5i s PHE 64 N 1.36 3.35 0.40 9.60 0.40 -0.97 -2.06 117.98 130.06 1l5i s PHE 64 Ca -0.04 0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 1l5i s PHE 64 Cb -0.13 -1.56 0.82 0.00 0.51 0.00 0.00 43.02 42.66 1l5i s PHE 64 CO -0.02 0.49 2.03 1.49 0.70 0.00 0.00 175.22 179.91 1l5i h GLU 65 N 1.70 0.53 -5.52 0.44 4.22 -1.74 -3.43 114.58 110.77 1l5i h GLU 65 Ca -0.50 -0.04 -0.44 0.00 0.08 0.00 0.00 59.36 58.46 1l5i h GLU 65 Cb 1.22 -0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.19 1l5i h GLU 65 CO 0.64 0.38 -0.75 0.20 -2.18 0.00 0.00 179.01 177.30 1l5i s GLY 66 N -3.72 1.28 -0.05 1.92 0.00 -1.26 -5.06 107.32 100.43 1l5i s GLY 66 Ca -0.08 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 1l5i s GLY 66 CO 0.74 -1.60 2.04 0.28 0.00 0.00 0.00 173.10 174.56 1l5i n LYS 67 N -0.02 2.52 -3.46 2.90 5.02 -1.26 -4.73 118.16 119.14 1l5i n LYS 67 Ca -0.11 0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 56.69 1l5i n LYS 67 Cb 0.59 -3.03 -0.06 0.00 -0.02 0.00 0.00 35.03 32.51 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 5.55 3.67 -0.45 2.13 5.04 -0.03 -4.79 117.35 128.46 1l5i s TYR 68 Ca 0.93 0.99 -0.15 0.00 -2.44 0.00 0.00 57.07 56.40 1l5i s TYR 68 Cb -0.44 -2.30 0.06 0.00 0.35 0.00 0.00 41.96 39.63 1l5i s TYR 68 CO 0.41 0.55 0.36 1.21 -1.34 0.00 0.00 175.55 176.75 1l5i s ASN 69 N -1.42 6.10 -1.04 4.32 3.04 -1.26 -2.26 114.94 122.43 1l5i s ASN 69 Ca 0.30 -1.22 -0.03 0.00 0.04 0.00 0.00 52.86 51.96 1l5i s ASN 69 Cb -0.16 -2.16 0.31 0.00 -1.54 0.00 0.00 41.25 37.69 1l5i s ASN 69 CO 0.17 -0.58 1.47 0.00 -3.04 0.00 0.00 177.10 175.11 1l5i n THR 71 N 1.10 2.67 -3.40 0.00 5.66 -1.26 -2.92 114.28 116.13 1l5i n THR 71 Ca 0.29 -1.47 0.02 0.00 -3.05 0.00 0.00 64.05 59.83 1l5i n THR 71 Cb 0.33 -0.64 -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 -0.72 -1.03 -0.18 1.09 2.47 -1.26 -4.73 114.94 110.59 1l5i s ASN 72 Ca 0.43 1.08 -0.03 0.00 0.42 0.00 0.00 52.86 54.76 1l5i s ASN 72 Cb 0.36 2.04 -0.01 0.00 -1.45 0.00 0.00 41.25 42.19 1l5i s ASN 72 CO 0.08 -0.19 2.61 0.00 -3.72 0.00 0.00 177.10 175.88 1l5i n GLN 73 N 5.35 1.77 -0.00 0.43 6.02 -1.26 -3.51 117.38 126.18 1l5i n GLN 73 Ca -0.08 -1.17 0.01 0.00 -0.01 0.00 0.00 57.00 55.76 1l5i n GLN 73 Cb 0.51 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 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 1.35 0.18 0.07 -1.09 5.12 -1.26 -4.47 116.66 116.56 1l5i n ARG 74 Ca 0.30 -0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.99 1l5i n ARG 74 Cb 0.64 -1.05 -0.11 0.00 -1.16 0.00 0.00 32.46 30.78 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 0.99 -0.29 -1.55 3.57 -2.00 -3.14 116.94 114.51 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 0.11 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.75 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 0.53 -1.97 0.41 3.72 -1.26 -4.85 117.46 110.24 1l5i n PHE 76 Ca -0.12 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 56.64 1l5i n PHE 76 Cb 0.94 -0.07 -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 -0.83 5.58 -0.13 4.37 1.01 -1.19 -4.45 116.67 121.03 1l5i s ASP 77 Ca 0.21 1.01 -0.06 0.00 0.71 0.00 0.00 52.55 54.43 1l5i s ASP 77 Cb 0.12 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1l5i s ASP 77 CO 0.12 -2.00 0.07 -0.76 0.21 0.00 0.00 175.17 172.80 1l5i s LEU 78 N 7.98 3.92 0.26 1.23 1.02 -0.96 -4.97 118.68 127.16 1l5i s LEU 78 Ca 0.78 0.22 0.07 0.00 0.02 0.00 0.00 54.13 55.22 1l5i s LEU 78 Cb -0.19 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 44.01 1l5i s LEU 78 CO 0.29 0.31 -0.08 0.68 0.02 0.00 0.00 176.35 177.57 1l5i s VAL 79 N -0.44 1.70 -0.28 -1.59 -7.23 -1.26 0.28 120.40 111.57 1l5i s VAL 79 Ca 0.10 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 1l5i s VAL 79 Cb -0.12 -2.36 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 1l5i s VAL 79 CO 0.02 -0.36 0.80 -0.55 -0.31 0.00 0.00 175.10 174.69 1l5i s SER 80 N -3.42 6.72 0.00 4.85 0.15 0.04 -4.90 113.70 117.14 1l5i s SER 80 Ca 0.28 0.81 0.23 0.00 0.70 0.00 0.00 55.95 57.97 1l5i s SER 80 Cb 0.02 -2.41 1.26 0.00 -1.71 0.00 0.00 66.02 63.18 1l5i s SER 80 CO 0.11 -0.57 1.77 -0.81 1.20 0.00 0.00 173.24 174.94 1l5i n PRO 81 N 6.11 0.50 -0.01 5.44 -0.04 -1.26 -2.55 135.00 143.20 1l5i n PRO 81 Ca 0.04 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 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 82 N -1.17 0.03 -4.24 0.52 5.66 -1.26 -5.01 114.28 108.82 1l5i n THR 82 Ca 0.14 -0.19 -0.17 0.00 -3.05 0.00 0.00 64.05 60.78 1l5i n THR 82 Cb 0.14 0.24 -0.13 0.00 -1.55 0.00 0.00 70.33 69.03 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 -2.52 0.67 -1.07 1.09 3.52 -1.05 -5.03 118.95 114.55 1l5i s ARG 83 Ca -0.03 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1l5i s ARG 83 Cb 0.05 -0.60 -0.10 0.00 -1.56 0.00 0.00 34.95 32.73 1l5i s ARG 83 CO 0.32 0.15 2.71 0.45 -0.81 0.00 0.00 175.30 178.12 1l5i n SER 84 N 2.24 6.63 -4.03 -2.12 2.88 -1.26 -3.83 113.62 114.12 1l5i n SER 84 Ca -0.17 -2.43 -0.22 0.00 -1.33 0.00 0.00 58.87 54.72 1l5i n SER 84 Cb 0.56 -1.33 -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 2.41 1.02 0.04 -1.46 0.00 -1.26 -5.04 121.76 117.47 1l5i s ALA 85 Ca 0.57 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.14 1l5i s ALA 85 Cb 0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1l5i s ALA 85 CO -0.04 0.17 -0.01 -1.01 0.00 0.00 0.00 175.76 174.87 1l5i s HIS 86 N 0.15 3.01 -0.06 0.00 3.76 -1.26 -0.78 115.29 120.11 1l5i s HIS 86 Ca -0.03 0.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.93 1l5i s HIS 86 Cb -0.09 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1l5i s HIS 86 CO 0.01 0.46 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.13 1l5i s PHE 87 N -1.17 1.70 -0.44 1.40 0.08 0.14 -4.98 117.98 114.71 1l5i s PHE 87 Ca 0.22 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 1l5i s PHE 87 Cb -0.12 -1.17 0.10 0.00 -0.57 0.00 0.00 43.02 41.26 1l5i s PHE 87 CO 0.13 -0.23 0.28 -1.58 -0.10 0.00 0.00 175.22 173.73 1l5i s HIS 88 N 0.28 3.42 0.64 0.36 5.65 -1.26 -2.26 115.29 122.11 1l5i s HIS 88 Ca -0.09 -1.84 -0.13 0.00 0.25 0.00 0.00 55.06 53.25 1l5i s HIS 88 Cb -0.14 -3.23 -0.02 0.00 -1.18 0.00 0.00 32.58 28.02 1l5i s HIS 88 CO 0.03 -0.93 1.05 -1.25 -0.65 0.00 0.00 174.74 172.99 1l5i s PRO 89 N 1.35 3.17 -0.21 2.88 0.04 -1.26 -4.91 135.00 136.06 1l5i s PRO 89 Ca 0.05 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 1l5i s PRO 89 Cb -0.24 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1l5i s PRO 89 CO -0.00 -0.92 0.56 1.21 0.04 0.00 0.00 177.00 177.89 1l5i s ASN 90 N -3.33 6.59 -0.10 6.66 3.84 -0.74 -4.83 114.94 123.03 1l5i s ASN 90 Ca 0.60 0.71 -0.23 0.00 0.21 0.00 0.00 52.86 54.15 1l5i s ASN 90 Cb -0.15 -2.31 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1l5i s ASN 90 CO 0.46 -0.22 0.70 -0.63 -2.79 0.00 0.00 177.10 174.61 1l5i s ILE 91 N 1.81 5.03 -0.03 -5.21 1.01 -1.26 -2.35 121.20 120.20 1l5i s ILE 91 Ca 0.25 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.33 1l5i s ILE 91 Cb -0.16 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1l5i s ILE 91 CO 0.10 0.21 -0.04 -1.58 0.00 0.00 0.00 174.94 173.62 1l5i s GLN 92 N 1.12 0.64 -0.25 2.79 0.74 -0.50 -4.96 119.66 119.24 1l5i s GLN 92 Ca 0.36 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.55 1l5i s GLN 92 Cb -0.17 -0.67 -0.05 0.00 1.10 0.00 0.00 33.01 33.22 1l5i s GLN 92 CO 0.16 -0.02 0.16 0.20 -0.55 0.00 0.00 175.29 175.24 1l5i s GLY 93 N 0.59 1.95 -0.35 2.59 0.00 -1.26 0.09 107.32 110.93 1l5i s GLY 93 Ca -0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1l5i s GLY 93 CO -0.00 0.48 1.27 0.00 0.00 0.00 0.00 173.10 174.85 1l5i s ALA 94 N 1.31 3.28 -1.53 3.20 0.00 -0.92 -4.85 121.76 122.26 1l5i s ALA 94 Ca 0.07 -0.06 0.21 0.00 0.00 0.00 0.00 51.96 52.18 1l5i s ALA 94 Cb -0.14 -3.82 1.08 0.00 0.00 0.00 0.00 23.12 20.24 1l5i s ALA 94 CO 0.07 -1.94 1.65 1.17 0.00 0.00 0.00 175.76 176.71 1l5i n LYS 95 N 7.50 0.36 -3.08 0.00 4.81 -1.26 -4.57 118.16 121.93 1l5i n LYS 95 Ca 0.14 0.08 -0.19 0.00 -0.87 0.00 0.00 58.31 57.47 1l5i n LYS 95 Cb 0.47 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 34.06 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 -2.47 5.26 0.11 3.14 0.01 -1.26 -5.07 113.70 113.42 1l5i s SER 96 Ca 0.22 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1l5i s SER 96 Cb 0.14 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1l5i s SER 96 CO 0.30 -1.12 0.00 -1.20 0.41 0.00 0.00 173.24 171.63 1l5i n SER 97 N -2.07 0.89 0.12 2.44 7.64 -1.26 -4.79 113.62 116.58 1l5i n SER 97 Ca 0.12 0.16 0.01 0.00 1.01 0.00 0.00 58.87 60.17 1l5i n SER 97 Cb 0.61 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.70 6.43 0.02 -2.00 -3.22 113.55 114.08 1l5i h SER 98 Ca 0.00 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 1l5i h SER 98 Cb 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1l5i h SER 98 CO 0.00 0.59 0.88 -0.78 -1.14 0.00 0.00 176.83 176.38 1l5i h ASP 99 N 0.00 0.00 -0.25 3.07 3.58 -2.00 1.60 116.42 122.42 1l5i h ASP 99 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1l5i h ASP 99 Cb 1.45 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 -0.09 -0.37 -2.88 0.00 0.00 179.24 175.98 1l5i h VAL 100 N 0.00 1.29 -0.99 2.25 -1.51 -1.89 -2.62 116.25 112.79 1l5i h VAL 100 Ca 0.33 -1.13 0.08 0.00 -1.23 0.00 0.00 66.70 64.76 1l5i h VAL 100 Cb 2.10 1.51 -0.07 0.00 -2.13 0.00 0.00 31.29 32.70 1l5i h VAL 100 CO -0.00 0.35 0.63 0.50 -1.23 0.00 0.00 177.57 177.82 1l5i h LYS 101 N 0.23 1.08 -0.52 5.19 1.63 0.21 0.39 116.57 124.77 1l5i h LYS 101 Ca 0.06 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1l5i h LYS 101 Cb 0.57 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 31.91 1l5i h LYS 101 CO 0.03 0.72 0.28 0.77 -3.45 0.00 0.00 179.45 177.80 1l5i h SER 102 N 1.11 0.43 0.24 4.20 0.02 -1.25 -1.28 113.55 117.02 1l5i h SER 102 Ca 0.44 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.26 1l5i h SER 102 Cb 0.23 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1l5i h SER 102 CO -0.19 0.30 -0.56 0.22 -1.14 0.00 0.00 176.83 175.45 1l5i h TYR 103 N 0.55 0.43 -0.30 3.45 3.20 -0.82 -2.84 116.97 120.65 1l5i h TYR 103 Ca 0.22 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1l5i h TYR 103 Cb 0.09 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1l5i h TYR 103 CO -0.09 0.82 0.20 0.82 -1.64 0.00 0.00 178.16 178.27 1l5i h ILE 104 N 0.26 1.07 0.00 1.81 2.04 0.55 0.12 117.51 123.36 1l5i h ILE 104 Ca 0.00 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1l5i h ILE 104 Cb 1.07 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1l5i h ILE 104 CO 0.09 0.07 -0.32 -0.78 0.00 0.00 0.00 178.15 177.21 1l5i h ASP 105 N 0.40 0.00 -0.12 1.72 3.58 -1.01 -3.32 116.42 117.66 1l5i h ASP 105 Ca 0.11 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.92 1l5i h ASP 105 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1l5i h ASP 105 CO -0.02 0.32 2.42 0.29 -2.88 0.00 0.00 179.24 179.37 1l5i n LYS 106 N -4.14 2.07 -1.06 0.28 5.02 0.42 -4.90 118.16 115.85 1l5i n LYS 106 Ca -0.02 -2.26 -0.13 0.00 -2.02 0.00 0.00 58.31 53.87 1l5i n LYS 106 Cb 0.37 -3.17 0.09 0.00 -0.02 0.00 0.00 35.03 32.29 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 7.87 0.19 0.00 4.39 5.75 -1.25 -5.03 116.55 128.47 1l5i n ASP 107 Ca 0.50 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 1l5i n ASP 107 Cb 0.41 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.00 0.73 2.94 6.12 0.00 -1.26 -5.01 105.19 109.71 1l5i n GLY 108 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.86 -4.10 1.61 9.92 -1.26 -4.71 116.55 110.15 1l5i n ASP 109 Ca 0.00 0.29 -0.09 0.00 -0.53 0.00 0.00 54.79 54.46 1l5i n ASP 109 Cb 0.00 -5.31 -0.10 0.00 -0.64 0.00 0.00 41.12 35.08 1l5i n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1l5i s VAL 110 N -2.75 0.14 -0.19 2.53 0.11 -1.26 -4.10 120.40 114.88 1l5i s VAL 110 Ca 0.15 -1.81 -0.07 0.00 -2.93 0.00 0.00 61.98 57.33 1l5i s VAL 110 Cb -0.04 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1l5i s VAL 110 CO 0.76 -0.63 0.05 -0.22 -3.33 0.00 0.00 175.10 171.73 1l5i s LEU 111 N -2.99 3.68 -0.21 2.54 0.20 -0.07 -4.96 118.68 116.87 1l5i s LEU 111 Ca 0.17 0.01 -0.06 0.00 0.69 0.00 0.00 54.13 54.94 1l5i s LEU 111 Cb 0.07 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1l5i s LEU 111 CO -0.03 0.14 0.03 -0.70 -0.29 0.00 0.00 176.35 175.51 1l5i s GLU 112 N 0.56 3.72 -0.02 1.98 2.12 -1.26 -2.35 118.70 123.44 1l5i s GLU 112 Ca 0.02 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 1l5i s GLU 112 Cb -0.13 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.10 1l5i s GLU 112 CO 0.01 0.04 0.05 -0.46 -0.54 0.00 0.00 175.26 174.36 1l5i s TRP 113 N 0.97 -0.05 0.15 5.30 -0.00 -0.79 -5.03 118.94 119.49 1l5i s TRP 113 Ca 0.03 0.14 0.00 0.00 -0.00 0.00 0.00 56.10 56.27 1l5i s TRP 113 Cb -0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 33.47 33.31 1l5i s TRP 113 CO 0.02 -0.04 0.00 0.41 -0.00 0.00 0.00 176.95 177.34 1l5i n GLY 114 N 3.27 -1.76 3.07 5.86 0.00 -1.26 0.50 105.19 114.87 1l5i n GLY 114 Ca -0.15 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.82 1.49 0.45 2.61 2.01 -1.19 -4.63 115.64 114.56 1l5i s THR 115 Ca 0.00 -0.66 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1l5i s THR 115 Cb 0.00 -1.34 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 1l5i s THR 115 CO 0.00 0.44 0.96 0.12 -0.69 0.00 0.00 174.62 175.45 1l5i s PHE 116 N 0.79 3.32 -1.18 4.92 2.19 -1.26 -3.80 117.98 122.96 1l5i s PHE 116 Ca -0.11 1.58 -0.09 0.00 0.33 0.00 0.00 56.93 58.64 1l5i s PHE 116 Cb -0.16 -2.85 0.22 0.00 -1.31 0.00 0.00 43.02 38.93 1l5i s PHE 116 CO 0.02 -0.20 1.50 1.04 1.83 0.00 0.00 175.22 179.41 1l5i n GLN 117 N -0.85 3.72 -2.62 10.12 1.13 -1.26 -4.99 117.38 122.63 1l5i n GLN 117 Ca 0.07 -4.04 -0.43 0.00 -1.94 0.00 0.00 57.00 50.66 1l5i n GLN 117 Cb 0.54 -2.79 -0.02 0.00 0.11 0.00 0.00 30.24 28.08 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 -0.32 4.55 0.72 5.09 -1.09 -1.26 -5.02 121.20 123.86 1l5i s ILE 118 Ca 0.37 1.83 -0.07 0.00 -2.23 0.00 0.00 60.65 60.54 1l5i s ILE 118 Cb 0.01 -4.33 0.06 0.00 -1.58 0.00 0.00 42.46 36.62 1l5i s ILE 118 CO 0.01 -0.33 1.04 -1.81 -1.23 0.00 0.00 174.94 172.62 1l5i s ASP 119 N 1.54 4.76 -0.29 3.58 1.01 -1.26 -5.10 116.67 120.92 1l5i s ASP 119 Ca 0.46 0.49 -0.38 0.00 0.71 0.00 0.00 52.55 53.83 1l5i s ASP 119 Cb -0.14 -1.12 0.16 0.00 1.01 0.00 0.00 42.92 42.83 1l5i s ASP 119 CO 0.12 -1.65 1.39 -0.83 0.21 0.00 0.00 175.17 174.41 1l5i s GLY 120 N -4.53 -0.18 0.00 0.21 0.00 -1.26 -5.18 107.32 96.38 1l5i s GLY 120 Ca 0.60 1.99 0.00 0.00 0.00 0.00 0.00 44.72 47.31 1l5i s GLY 120 CO 0.45 0.67 0.00 0.54 0.00 0.00 0.00 173.10 174.77