#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 1.69 0.04 0.23 0.00 -1.26 -5.12 107.32 102.90 1l5i s GLY 5 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1l5i s GLY 5 CO 0.00 -0.94 -0.12 -1.60 0.00 0.00 0.00 173.10 170.44 1l5i s ARG 6 N -4.67 0.79 -0.68 2.90 3.52 -1.26 -5.09 118.95 114.46 1l5i s ARG 6 Ca 0.53 -0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 55.15 1l5i s ARG 6 Cb -0.10 -0.75 0.02 0.00 -1.56 0.00 0.00 34.95 32.56 1l5i s ARG 6 CO 0.38 0.18 1.36 0.12 -0.81 0.00 0.00 175.30 176.53 1l5i s PHE 7 N -0.89 2.25 -0.09 5.12 5.36 -1.26 -4.96 117.98 123.51 1l5i s PHE 7 Ca -0.01 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 1l5i s PHE 7 Cb -0.08 -4.52 0.03 0.00 -0.34 0.00 0.00 43.02 38.11 1l5i s PHE 7 CO 0.01 -2.03 -0.03 -1.54 -1.46 0.00 0.00 175.22 170.18 1l5i s SER 8 N 4.26 1.82 -0.09 6.13 1.04 -1.26 -4.14 113.70 121.45 1l5i s SER 8 Ca 0.42 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1l5i s SER 8 Cb -0.09 -0.59 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 1l5i s SER 8 CO 0.19 -0.17 -0.13 -0.63 0.98 0.00 0.00 173.24 173.48 1l5i s ILE 9 N 1.87 3.09 -0.18 -1.02 1.01 -1.12 -4.91 121.20 119.95 1l5i s ILE 9 Ca 0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1l5i s ILE 9 Cb -0.12 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.15 1l5i s ILE 9 CO -0.06 0.56 0.03 -0.54 0.00 0.00 0.00 174.94 174.93 1l5i s LYS 10 N -0.18 0.63 0.15 2.79 1.02 -1.26 0.80 119.74 123.69 1l5i s LYS 10 Ca 0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.41 1l5i s LYS 10 Cb -0.13 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.29 1l5i s LYS 10 CO 0.03 -0.60 0.73 0.00 -0.92 0.00 0.00 175.35 174.60 1l5i s ALA 11 N 1.88 -1.57 0.07 5.17 0.00 -0.91 -4.96 121.76 121.45 1l5i s ALA 11 Ca -0.00 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1l5i s ALA 11 Cb -0.16 0.75 -0.26 0.00 0.00 0.00 0.00 23.12 23.44 1l5i s ALA 11 CO -0.08 -0.85 1.10 -0.22 0.00 0.00 0.00 175.76 175.72 1l5i h LYS 12 N 2.00 0.19 -6.53 0.00 3.64 -1.83 0.86 116.57 114.89 1l5i h LYS 12 Ca -0.27 -0.33 -0.68 0.00 -1.27 0.00 0.00 60.65 58.11 1l5i h LYS 12 Cb 1.27 0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 33.02 1l5i h LYS 12 CO 0.31 1.12 -0.77 -0.80 -2.27 0.00 0.00 179.45 177.04 1l5i s ASN 13 N -6.97 4.09 0.02 4.20 0.01 -1.25 -0.20 114.94 114.84 1l5i s ASN 13 Ca -0.04 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 1l5i s ASN 13 Cb 0.08 -0.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.98 1l5i s ASN 13 CO 0.86 0.23 -0.09 -0.31 -1.51 0.00 0.00 177.10 176.28 1l5i s TYR 14 N -1.03 0.82 -0.14 2.20 2.02 0.90 -1.24 117.35 120.88 1l5i s TYR 14 Ca 0.17 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1l5i s TYR 14 Cb -0.11 -0.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1l5i s TYR 14 CO 0.08 -0.02 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.77 1l5i s PHE 15 N -0.67 2.66 -0.19 2.71 0.08 0.45 -1.20 117.98 121.82 1l5i s PHE 15 Ca -0.01 -1.36 -0.07 0.00 0.12 0.00 0.00 56.93 55.61 1l5i s PHE 15 Cb -0.06 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1l5i s PHE 15 CO 0.00 -0.63 0.06 -0.51 -0.10 0.00 0.00 175.22 174.04 1l5i s LEU 16 N 0.86 3.75 -0.19 -0.37 2.01 -0.41 -2.02 118.68 122.31 1l5i s LEU 16 Ca -0.06 0.04 0.01 0.00 0.01 0.00 0.00 54.13 54.13 1l5i s LEU 16 Cb -0.15 -1.95 0.02 0.00 0.01 0.00 0.00 46.19 44.12 1l5i s LEU 16 CO -0.03 0.15 -0.18 -0.89 1.01 0.00 0.00 176.35 176.41 1l5i s THR 17 N 0.51 2.15 -0.40 5.49 2.01 -1.02 -2.26 115.64 122.13 1l5i s THR 17 Ca 0.03 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1l5i s THR 17 Cb -0.13 -1.93 0.10 0.00 0.01 0.00 0.00 72.50 70.55 1l5i s THR 17 CO 0.01 0.50 0.19 -0.31 -0.69 0.00 0.00 174.62 174.32 1l5i s TYR 18 N 1.29 3.50 0.21 4.92 1.51 -1.02 -1.38 117.35 126.39 1l5i s TYR 18 Ca 0.04 -2.19 -0.30 0.00 -1.01 0.00 0.00 57.07 53.61 1l5i s TYR 18 Cb -0.14 -3.06 -0.08 0.00 -0.11 0.00 0.00 41.96 38.58 1l5i s TYR 18 CO -0.12 -0.93 1.11 -1.25 -1.11 0.00 0.00 175.55 173.25 1l5i s PRO 19 N 1.21 4.60 -1.64 -1.71 0.04 -1.26 -2.42 135.00 133.81 1l5i s PRO 19 Ca 0.06 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1l5i s PRO 19 Cb -0.23 -3.25 0.11 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO -0.03 0.10 0.27 1.63 0.04 0.00 0.00 177.00 179.01 1l5i n LYS 20 N 2.05 -0.84 -3.63 4.56 5.02 0.87 -4.86 118.16 121.32 1l5i n LYS 20 Ca 0.02 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 1l5i n LYS 20 Cb 0.46 -3.96 -0.11 0.00 -0.02 0.00 0.00 35.03 31.40 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l5i n ASP 22 N 4.82 1.90 -4.75 0.00 -0.08 -1.26 -4.44 116.55 112.73 1l5i n ASP 22 Ca -0.15 -2.13 -0.41 0.00 -1.51 0.00 0.00 54.79 50.59 1l5i n ASP 22 Cb 0.52 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 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 -0.98 4.46 0.49 -2.67 2.96 -1.26 -5.02 118.68 116.67 1l5i s LEU 23 Ca 0.18 2.44 -0.05 0.00 -0.22 0.00 0.00 54.13 56.48 1l5i s LEU 23 Cb 0.11 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1l5i s LEU 23 CO 0.09 -0.40 0.80 0.42 -1.32 0.00 0.00 176.35 175.93 1l5i s THR 24 N -0.68 4.78 0.35 3.68 -4.23 -1.26 -4.95 115.64 113.33 1l5i s THR 24 Ca 0.50 0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.31 1l5i s THR 24 Cb -0.36 -3.82 0.07 0.00 1.34 0.00 0.00 72.50 69.73 1l5i s THR 24 CO 0.44 -0.81 1.79 0.07 -0.54 0.00 0.00 174.62 175.56 1l5i h LYS 25 N 0.18 0.00 -0.13 3.99 2.10 -1.97 -0.76 116.57 119.99 1l5i h LYS 25 Ca -0.47 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1l5i h LYS 25 Cb 1.21 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1l5i h LYS 25 CO 0.61 0.42 0.00 0.93 -2.00 0.00 0.00 179.45 179.41 1l5i h GLU 26 N 0.00 0.23 -0.41 0.07 5.08 -1.97 1.30 114.58 118.89 1l5i h GLU 26 Ca -0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1l5i h GLU 26 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1l5i h GLU 26 CO 0.05 0.46 0.05 -0.91 -1.00 0.00 0.00 179.01 177.66 1l5i h ASN 27 N -0.03 0.67 0.02 1.42 -0.26 -1.91 0.42 115.58 115.91 1l5i h ASN 27 Ca 0.04 -0.27 -0.11 0.00 -0.56 0.00 0.00 56.30 55.39 1l5i h ASN 27 Cb 0.36 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1l5i h ASN 27 CO 0.01 0.77 -0.36 0.00 -1.06 0.00 0.00 177.43 176.79 1l5i h ALA 28 N 0.92 0.99 -0.36 -0.83 0.00 -1.06 0.23 119.26 119.15 1l5i h ALA 28 Ca 0.12 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1l5i h ALA 28 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1l5i h ALA 28 CO 0.01 0.60 -0.28 1.25 0.00 0.00 0.00 179.25 180.83 1l5i h LEU 29 N 0.39 0.88 -0.22 0.00 7.12 0.21 0.73 115.31 124.42 1l5i h LEU 29 Ca 0.04 -0.44 -0.07 0.00 0.13 0.00 0.00 57.88 57.54 1l5i h LEU 29 Cb 0.81 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1l5i h LEU 29 CO 0.07 1.14 -0.14 0.77 -0.13 0.00 0.00 178.44 180.14 1l5i h SER 30 N 0.63 0.50 -0.10 1.25 4.64 0.08 0.44 113.55 121.00 1l5i h SER 30 Ca 0.07 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1l5i h SER 30 Cb 0.86 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1l5i h SER 30 CO 0.07 0.83 -0.03 1.56 -0.87 0.00 0.00 176.83 178.39 1l5i h GLN 31 N 0.18 0.19 -0.37 4.77 4.20 -0.51 0.45 115.11 124.02 1l5i h GLN 31 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1l5i h GLN 31 Cb 0.65 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1l5i h GLN 31 CO 0.04 0.52 0.17 0.82 -0.67 0.00 0.00 178.83 179.72 1l5i h ILE 32 N -0.15 1.17 -0.52 2.54 1.08 0.47 0.90 117.51 123.00 1l5i h ILE 32 Ca 0.02 -0.49 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 1l5i h ILE 32 Cb 0.46 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1l5i h ILE 32 CO 0.01 0.18 0.03 0.74 -0.69 0.00 0.00 178.15 178.42 1l5i h THR 33 N 0.46 1.24 -0.00 -0.27 2.02 -0.06 -1.26 112.91 115.03 1l5i h THR 33 Ca 0.13 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1l5i h THR 33 Cb 0.13 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1l5i h THR 33 CO -0.02 0.36 -0.10 0.59 0.37 0.00 0.00 175.52 176.72 1l5i n ASN 34 N -4.22 0.14 -4.65 4.18 5.03 0.16 -4.77 115.26 111.13 1l5i n ASN 34 Ca 0.03 0.15 -0.43 0.00 0.87 0.00 0.00 54.58 55.20 1l5i n ASN 34 Cb 0.29 -0.29 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 1l5i n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1l5i s LEU 35 N -2.87 4.11 0.61 3.41 1.02 0.31 -5.01 118.68 120.27 1l5i s LEU 35 Ca 0.17 1.62 -0.09 0.00 0.02 0.00 0.00 54.13 55.86 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 0.54 -0.87 0.98 -1.10 0.02 0.00 0.00 176.35 175.92 1l5i s GLN 36 N 3.75 3.23 0.07 1.70 -0.21 -1.26 -4.95 119.66 121.98 1l5i s GLN 36 Ca 0.57 0.41 -0.09 0.00 0.02 0.00 0.00 55.36 56.27 1l5i s GLN 36 Cb -0.22 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.64 1l5i s GLN 36 CO 0.18 -0.67 0.20 -0.08 -2.12 0.00 0.00 175.29 172.80 1l5i s THR 37 N -3.12 0.13 -1.47 -0.19 -1.32 -1.26 -5.02 115.64 103.39 1l5i s THR 37 Ca 0.54 -1.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.22 1l5i s THR 37 Cb -0.11 -1.16 0.42 0.00 -1.51 0.00 0.00 72.50 70.13 1l5i s THR 37 CO 0.50 -0.57 1.75 -0.81 -2.21 0.00 0.00 174.62 173.27 1l5i n PRO 38 N 0.23 0.35 0.00 7.08 -0.04 -1.26 -4.59 135.00 136.77 1l5i n PRO 38 Ca -0.17 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 -1.27 0.00 -3.63 0.52 5.66 -1.26 -5.11 114.28 109.19 1l5i n THR 39 Ca 0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 1l5i n THR 39 Cb 0.18 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.89 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 0.39 -0.33 -0.32 1.09 2.47 -1.26 -4.99 114.94 111.99 1l5i s ASN 40 Ca 0.00 0.58 -0.20 0.00 0.42 0.00 0.00 52.86 53.66 1l5i s ASN 40 Cb 0.00 0.56 -0.01 0.00 -1.45 0.00 0.00 41.25 40.36 1l5i s ASN 40 CO 0.00 -0.16 0.63 -0.54 -3.72 0.00 0.00 177.10 173.31 1l5i s LYS 41 N -0.15 3.82 -0.14 0.43 1.02 -1.26 -1.83 119.74 121.62 1l5i s LYS 41 Ca 0.03 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.13 1l5i s LYS 41 Cb -0.04 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1l5i s LYS 41 CO -0.07 -0.63 -0.13 1.25 -0.92 0.00 0.00 175.35 174.85 1l5i h LEU 42 N 9.23 0.00 -8.25 3.17 5.85 -1.59 -3.47 115.31 120.25 1l5i h LEU 42 Ca -0.27 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.19 1l5i h LEU 42 Cb 1.12 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.97 1l5i h LEU 42 CO 0.81 0.80 -0.71 0.12 -0.34 0.00 0.00 178.44 179.13 1l5i s PHE 43 N -2.21 0.66 -0.08 1.25 5.36 -1.05 -1.57 117.98 120.34 1l5i s PHE 43 Ca -0.15 -0.74 -0.02 0.00 -0.96 0.00 0.00 56.93 55.06 1l5i s PHE 43 Cb 0.02 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.33 1l5i s PHE 43 CO 0.24 -0.17 0.02 0.42 -1.46 0.00 0.00 175.22 174.26 1l5i s ILE 44 N -2.58 0.30 -0.19 3.12 1.01 0.73 -1.94 121.20 121.65 1l5i s ILE 44 Ca -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1l5i s ILE 44 Cb -0.02 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1l5i s ILE 44 CO -0.03 0.20 -0.04 -0.75 0.00 0.00 0.00 174.94 174.32 1l5i s LYS 45 N 2.00 3.50 -0.16 2.79 2.47 0.14 -1.75 119.74 128.72 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 -2.97 0.04 0.00 -1.46 0.00 0.00 37.83 33.31 1l5i s LYS 45 CO -0.05 -0.01 -0.07 0.42 0.16 0.00 0.00 175.35 175.80 1l5i s ILE 46 N 1.02 1.20 -0.02 5.43 1.01 -0.97 0.38 121.20 129.25 1l5i s ILE 46 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1l5i s ILE 46 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1l5i s ILE 46 CO 0.01 0.19 -0.18 0.00 0.00 0.00 0.00 174.94 174.96 1l5i s ARG 48 N -0.31 3.64 -0.01 0.00 3.52 -1.26 -1.24 118.95 123.28 1l5i s ARG 48 Ca 0.04 0.05 -0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1l5i s ARG 48 Cb -0.08 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1l5i s ARG 48 CO -0.00 0.68 0.02 -2.00 -0.81 0.00 0.00 175.30 173.20 1l5i s GLU 49 N -1.43 0.00 -0.04 5.12 2.56 -0.83 -4.94 118.70 119.14 1l5i s GLU 49 Ca 0.24 0.08 0.04 0.00 0.00 0.00 0.00 54.97 55.33 1l5i s GLU 49 Cb -0.14 -0.07 -0.00 0.00 2.00 0.00 0.00 34.13 35.92 1l5i s GLU 49 CO 0.13 -0.06 -0.16 -0.51 -0.56 0.00 0.00 175.26 174.10 1l5i s LEU 50 N 0.36 1.90 0.30 2.70 2.01 -1.26 -0.14 118.68 124.54 1l5i s LEU 50 Ca -0.03 -0.32 -0.06 0.00 0.01 0.00 0.00 54.13 53.73 1l5i s LEU 50 Cb -0.04 -0.90 -0.05 0.00 0.01 0.00 0.00 46.19 45.21 1l5i s LEU 50 CO -0.01 0.14 0.57 -1.00 1.01 0.00 0.00 176.35 177.06 1l5i s HIS 51 N 0.05 3.47 -1.34 0.29 3.76 -0.67 -4.96 115.29 115.90 1l5i s HIS 51 Ca -0.03 0.68 0.26 0.00 -0.15 0.00 0.00 55.06 55.82 1l5i s HIS 51 Cb -0.11 -2.14 1.26 0.00 1.11 0.00 0.00 32.58 32.70 1l5i s HIS 51 CO 0.02 0.15 1.86 0.39 -0.85 0.00 0.00 174.74 176.30 1l5i n GLU 52 N -0.96 0.29 0.00 1.40 1.02 -1.26 -2.37 120.64 118.76 1l5i n GLU 52 Ca -0.01 0.05 0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1l5i n GLU 52 Cb 0.54 -1.50 0.72 0.00 -0.02 0.00 0.00 31.44 31.18 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 -1.33 0.37 0.00 1.62 4.13 -1.26 -4.86 115.26 113.92 1l5i n ASN 53 Ca 0.11 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.65 1l5i n ASN 53 Cb 0.23 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 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 1.19 0.75 3.59 7.41 0.00 -1.00 -5.04 105.19 112.10 1l5i n GLY 54 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.50 3.90 0.49 1.61 -1.05 -1.25 -4.95 118.70 116.95 1l5i s GLU 55 Ca 0.00 -0.10 -0.20 0.00 -0.15 0.00 0.00 54.97 54.52 1l5i s GLU 55 Cb 0.00 -3.69 -0.08 0.00 -0.44 0.00 0.00 34.13 29.92 1l5i s GLU 55 CO 0.00 -0.33 1.04 -1.25 0.95 0.00 0.00 175.26 175.67 1l5i s PRO 56 N 2.04 3.78 0.03 -4.83 0.04 -1.26 -1.66 135.00 133.13 1l5i s PRO 56 Ca 0.14 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1l5i s PRO 56 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1l5i s PRO 56 CO 0.11 -0.45 -0.01 -1.58 0.04 0.00 0.00 177.00 175.10 1l5i s HIS 57 N -2.02 0.30 -0.02 0.56 2.46 0.80 -0.09 115.29 117.26 1l5i s HIS 57 Ca 0.67 -0.61 0.02 0.00 0.47 0.00 0.00 55.06 55.60 1l5i s HIS 57 Cb -0.16 -0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.07 1l5i s HIS 57 CO 0.21 -0.24 -0.07 -1.17 -2.47 0.00 0.00 174.74 170.99 1l5i s LEU 58 N -1.79 1.76 -0.04 8.88 1.98 -1.02 -1.96 118.68 126.50 1l5i s LEU 58 Ca -0.11 -0.15 0.06 0.00 -2.89 0.00 0.00 54.13 51.04 1l5i s LEU 58 Cb -0.06 -0.46 -0.01 0.00 0.66 0.00 0.00 46.19 46.32 1l5i s LEU 58 CO -0.03 0.05 -0.23 -1.00 -1.89 0.00 0.00 176.35 173.25 1l5i s HIS 59 N 0.23 2.18 -0.03 5.38 3.76 -0.38 -2.43 115.29 124.00 1l5i s HIS 59 Ca -0.03 -0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 1l5i s HIS 59 Cb -0.08 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1l5i s HIS 59 CO 0.00 -0.14 0.09 0.42 -0.85 0.00 0.00 174.74 174.26 1l5i s ILE 60 N -0.29 -0.00 -0.17 0.60 1.01 -0.96 -1.08 121.20 120.31 1l5i s ILE 60 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1l5i s ILE 60 Cb -0.11 -0.13 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1l5i s ILE 60 CO 0.02 0.01 0.07 -0.22 0.00 0.00 0.00 174.94 174.81 1l5i s LEU 61 N 0.15 0.57 0.11 2.97 1.98 0.16 -1.29 118.68 123.33 1l5i s LEU 61 Ca -0.01 -0.62 0.08 0.00 -2.89 0.00 0.00 54.13 50.69 1l5i s LEU 61 Cb -0.02 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.46 1l5i s LEU 61 CO -0.00 -0.33 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.34 1l5i s ILE 62 N 2.06 3.02 -0.11 6.68 1.01 -0.34 0.25 121.20 133.77 1l5i s ILE 62 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 60.65 59.24 1l5i s ILE 62 Cb -0.16 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.96 1l5i s ILE 62 CO -0.08 0.12 0.02 0.00 0.00 0.00 0.00 174.94 174.99 1l5i s GLN 63 N -2.12 0.60 0.34 2.79 1.03 -0.82 -0.07 119.66 121.42 1l5i s GLN 63 Ca 0.19 -0.06 -0.05 0.00 0.04 0.00 0.00 55.36 55.48 1l5i s GLN 63 Cb -0.11 -1.35 -0.05 0.00 0.03 0.00 0.00 33.01 31.53 1l5i s GLN 63 CO 0.11 -0.42 0.61 -0.06 -2.54 0.00 0.00 175.29 173.00 1l5i s PHE 64 N 1.95 3.49 0.40 9.60 0.40 0.72 -1.50 117.98 133.03 1l5i s PHE 64 Ca 0.03 0.66 0.07 0.00 -0.60 0.00 0.00 56.93 57.10 1l5i s PHE 64 Cb -0.14 -2.14 0.83 0.00 0.51 0.00 0.00 43.02 42.08 1l5i s PHE 64 CO -0.06 0.06 2.01 1.49 0.70 0.00 0.00 175.22 179.42 1l5i h GLU 65 N 1.24 0.46 -6.06 0.44 4.22 -1.67 -3.43 114.58 109.79 1l5i h GLU 65 Ca -0.48 -0.05 -0.55 0.00 0.08 0.00 0.00 59.36 58.36 1l5i h GLU 65 Cb 1.20 -0.09 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 1l5i h GLU 65 CO 0.64 0.38 -0.78 0.20 -2.18 0.00 0.00 179.01 177.27 1l5i s GLY 66 N -3.79 1.56 -0.18 1.92 0.00 -1.26 -5.05 107.32 100.53 1l5i s GLY 66 Ca -0.08 -1.63 -0.29 0.00 0.00 0.00 0.00 44.72 42.72 1l5i s GLY 66 CO 0.73 -1.69 2.16 0.28 0.00 0.00 0.00 173.10 174.58 1l5i n LYS 67 N -0.02 2.05 -3.37 2.90 5.02 -1.26 -4.67 118.16 118.80 1l5i n LYS 67 Ca -0.10 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.43 1l5i n LYS 67 Cb 0.58 -3.09 -0.06 0.00 -0.02 0.00 0.00 35.03 32.44 1l5i n LYS 67 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1l5i s TYR 68 N 7.32 3.70 -0.33 2.13 5.04 0.29 -4.80 117.35 130.71 1l5i s TYR 68 Ca 0.99 1.11 -0.12 0.00 -2.44 0.00 0.00 57.07 56.61 1l5i s TYR 68 Cb -0.42 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.49 1l5i s TYR 68 CO 0.39 0.54 0.21 1.21 -1.34 0.00 0.00 175.55 176.55 1l5i s ASN 69 N -1.36 5.85 -0.83 4.32 3.04 -1.26 -2.14 114.94 122.55 1l5i s ASN 69 Ca 0.31 -0.50 0.02 0.00 0.04 0.00 0.00 52.86 52.73 1l5i s ASN 69 Cb -0.17 -2.08 0.27 0.00 -1.54 0.00 0.00 41.25 37.73 1l5i s ASN 69 CO 0.18 -0.23 1.06 0.00 -3.04 0.00 0.00 177.10 175.06 1l5i n THR 71 N 1.10 3.35 -3.15 0.00 5.66 -1.26 -2.79 114.28 117.20 1l5i n THR 71 Ca 0.28 -2.36 0.05 0.00 -3.05 0.00 0.00 64.05 58.97 1l5i n THR 71 Cb 0.37 -0.74 -0.01 0.00 -1.55 0.00 0.00 70.33 68.40 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 -1.56 -0.78 -0.68 1.09 2.47 -1.26 -4.74 114.94 109.47 1l5i s ASN 72 Ca 0.60 0.45 -0.07 0.00 0.42 0.00 0.00 52.86 54.27 1l5i s ASN 72 Cb 0.49 1.64 -0.14 0.00 -1.45 0.00 0.00 41.25 41.79 1l5i s ASN 72 CO 0.06 -0.15 2.80 0.00 -3.72 0.00 0.00 177.10 176.09 1l5i n GLN 73 N 5.44 2.33 0.00 0.43 0.00 -1.26 -3.41 117.38 120.91 1l5i n GLN 73 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 57.00 55.60 1l5i n GLN 73 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 28.48 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1l5i n ARG 74 N 3.25 2.27 0.06 2.61 5.12 -1.26 -4.52 116.66 124.18 1l5i n ARG 74 Ca 0.50 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.22 1l5i n ARG 74 Cb 0.45 -0.95 -0.10 0.00 -1.16 0.00 0.00 32.46 30.70 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 0.97 -0.29 -1.55 3.57 -1.99 -3.12 116.94 114.53 1l5i h PHE 75 Ca 0.00 -0.55 0.00 0.00 3.53 0.00 0.00 57.97 60.95 1l5i h PHE 75 Cb 0.50 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1l5i h PHE 75 CO 0.00 1.39 0.00 1.19 -2.23 0.00 0.00 178.31 178.66 1l5i n PHE 76 N -3.82 0.55 -2.08 0.41 3.72 -1.26 -4.84 117.46 110.14 1l5i n PHE 76 Ca -0.11 -0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 1l5i n PHE 76 Cb 0.90 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.34 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 5.78 -0.13 4.37 1.01 -1.18 -4.41 116.67 121.30 1l5i s ASP 77 Ca 0.21 0.90 -0.05 0.00 0.71 0.00 0.00 52.55 54.33 1l5i s ASP 77 Cb 0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1l5i s ASP 77 CO 0.12 -1.87 0.06 -0.76 0.21 0.00 0.00 175.17 172.93 1l5i s LEU 78 N 7.31 3.88 0.29 1.23 1.02 -0.96 -4.97 118.68 126.48 1l5i s LEU 78 Ca 0.72 0.20 0.07 0.00 0.02 0.00 0.00 54.13 55.15 1l5i s LEU 78 Cb -0.18 -1.94 -0.06 0.00 0.02 0.00 0.00 46.19 44.04 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 -0.43 1.80 -0.27 -1.59 -7.23 -1.26 0.34 120.40 111.76 1l5i s VAL 79 Ca 0.10 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 57.87 1l5i s VAL 79 Cb -0.12 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1l5i s VAL 79 CO 0.02 -0.30 0.82 -0.55 -0.31 0.00 0.00 175.10 174.78 1l5i s SER 80 N -3.47 6.77 0.00 4.85 0.15 0.38 -4.90 113.70 117.47 1l5i s SER 80 Ca 0.30 0.89 0.23 0.00 0.70 0.00 0.00 55.95 58.06 1l5i s SER 80 Cb 0.03 -2.43 1.15 0.00 -1.71 0.00 0.00 66.02 63.06 1l5i s SER 80 CO 0.13 -0.57 1.74 -0.81 1.20 0.00 0.00 173.24 174.93 1l5i n PRO 81 N 6.12 0.33 -0.01 5.44 -0.04 -1.26 -2.61 135.00 142.97 1l5i n PRO 81 Ca 0.05 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 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 -1.28 0.05 -4.22 0.52 -2.24 -1.26 -5.01 114.28 100.85 1l5i n THR 82 Ca 0.11 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1l5i n THR 82 Cb 0.18 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.60 0.65 -1.18 -0.78 3.00 -1.07 -5.04 118.95 111.92 1l5i s ARG 83 Ca -0.03 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.73 54.08 1l5i s ARG 83 Cb 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 34.95 34.34 1l5i s ARG 83 CO 0.38 0.14 2.68 0.45 0.00 0.00 0.00 175.30 178.95 1l5i n SER 84 N 2.20 6.91 -4.04 -2.12 2.88 -1.26 -3.76 113.62 114.43 1l5i n SER 84 Ca -0.17 -2.45 -0.22 0.00 -1.33 0.00 0.00 58.87 54.69 1l5i n SER 84 Cb 0.56 -1.35 -0.16 0.00 -0.75 0.00 0.00 64.21 62.51 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 2.50 1.06 0.02 -1.46 0.00 -1.26 -5.03 121.76 117.59 1l5i s ALA 85 Ca 0.58 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1l5i s ALA 85 Cb 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1l5i s ALA 85 CO -0.04 0.18 -0.00 -1.01 0.00 0.00 0.00 175.76 174.88 1l5i s HIS 86 N 0.17 3.04 -0.03 0.00 3.76 -1.26 -0.47 115.29 120.49 1l5i s HIS 86 Ca -0.04 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.97 1l5i s HIS 86 Cb -0.10 -1.63 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1l5i s HIS 86 CO 0.01 0.46 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.13 1l5i s PHE 87 N -1.13 1.63 -0.41 1.40 0.08 0.15 -4.98 117.98 114.72 1l5i s PHE 87 Ca 0.21 -0.42 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1l5i s PHE 87 Cb -0.12 -1.09 0.09 0.00 -0.57 0.00 0.00 43.02 41.34 1l5i s PHE 87 CO 0.12 -0.12 0.22 -1.58 -0.10 0.00 0.00 175.22 173.75 1l5i s HIS 88 N -0.07 3.43 0.70 0.36 5.65 -1.26 -2.26 115.29 121.84 1l5i s HIS 88 Ca -0.01 -1.95 -0.11 0.00 0.25 0.00 0.00 55.06 53.25 1l5i s HIS 88 Cb -0.10 -3.02 0.01 0.00 -1.18 0.00 0.00 32.58 28.28 1l5i s HIS 88 CO 0.01 -0.91 1.06 -1.25 -0.65 0.00 0.00 174.74 173.01 1l5i s PRO 89 N 1.29 2.92 -0.29 2.88 0.04 -1.26 -4.93 135.00 135.64 1l5i s PRO 89 Ca 0.04 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 1l5i s PRO 89 Cb -0.23 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1l5i s PRO 89 CO -0.01 -1.11 0.74 1.21 0.04 0.00 0.00 177.00 177.87 1l5i s ASN 90 N -3.80 6.65 -0.16 6.66 3.84 -0.48 -4.83 114.94 122.82 1l5i s ASN 90 Ca 0.58 0.68 -0.22 0.00 0.21 0.00 0.00 52.86 54.12 1l5i s ASN 90 Cb -0.14 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1l5i s ASN 90 CO 0.55 -0.54 0.65 -0.63 -2.79 0.00 0.00 177.10 174.34 1l5i s ILE 91 N 2.81 5.03 -0.03 -5.21 1.01 -1.26 -2.43 121.20 121.13 1l5i s ILE 91 Ca 0.31 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1l5i s ILE 91 Cb -0.15 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1l5i s ILE 91 CO 0.11 0.16 -0.04 -1.58 0.00 0.00 0.00 174.94 173.58 1l5i s GLN 92 N 1.55 0.62 -0.36 2.79 0.74 -0.86 -4.97 119.66 119.18 1l5i s GLN 92 Ca 0.31 -0.11 -0.16 0.00 0.05 0.00 0.00 55.36 55.45 1l5i s GLN 92 Cb -0.16 -0.65 -0.00 0.00 1.10 0.00 0.00 33.01 33.30 1l5i s GLN 92 CO 0.12 -0.02 0.42 0.20 -0.55 0.00 0.00 175.29 175.46 1l5i s GLY 93 N 0.57 1.88 -0.36 2.59 0.00 -1.26 -0.41 107.32 110.32 1l5i s GLY 93 Ca -0.07 -1.22 -0.24 0.00 0.00 0.00 0.00 44.72 43.19 1l5i s GLY 93 CO -0.00 1.10 0.83 0.00 0.00 0.00 0.00 173.10 175.02 1l5i s ALA 94 N 2.14 3.43 0.00 3.20 0.00 -0.38 -4.95 121.76 125.20 1l5i s ALA 94 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1l5i s ALA 94 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1l5i s ALA 94 CO 0.12 -1.50 0.00 1.17 0.00 0.00 0.00 175.76 175.56 1l5i n LYS 95 N 6.51 2.54 -3.41 0.00 4.81 -1.26 -3.97 118.16 123.37 1l5i n LYS 95 Ca 0.04 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.12 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 -1.12 1.17 0.00 0.00 177.40 177.45 1l5i s SER 96 N -1.93 6.83 0.00 3.14 0.01 -1.26 -4.81 113.70 115.68 1l5i s SER 96 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1l5i s SER 96 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1l5i s SER 96 CO 0.00 0.20 0.00 -1.54 0.41 0.00 0.00 173.24 172.31 1l5i n SER 97 N 1.21 0.00 -0.00 2.44 3.41 -1.26 -4.98 113.62 114.44 1l5i n SER 97 Ca -0.09 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.67 1l5i n SER 97 Cb 0.52 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.17 1l5i n SER 97 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1l5i n SER 98 N 0.00 0.03 -0.15 4.04 3.41 -1.26 -3.67 113.62 116.01 1l5i n SER 98 Ca 0.00 0.06 0.28 0.00 -0.26 0.00 0.00 58.87 58.94 1l5i n SER 98 Cb 0.00 -0.34 0.59 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.32 4.04 3.58 -1.99 1.92 116.42 123.67 1l5i h ASP 99 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1l5i h ASP 99 Cb 0.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1l5i h ASP 99 CO 0.00 0.00 -0.13 -0.37 -2.88 0.00 0.00 179.24 175.86 1l5i h VAL 100 N 0.00 1.29 -0.51 2.25 -1.51 -1.99 -1.13 116.25 114.64 1l5i h VAL 100 Ca 0.43 -1.23 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1l5i h VAL 100 Cb 2.33 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 32.88 1l5i h VAL 100 CO -0.00 0.40 0.18 0.50 -1.23 0.00 0.00 177.57 177.41 1l5i h LYS 101 N 0.42 0.79 0.14 5.19 3.11 0.27 0.22 116.57 126.72 1l5i h LYS 101 Ca 0.07 -0.16 0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1l5i h LYS 101 Cb 0.66 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1l5i h LYS 101 CO 0.04 0.72 -0.17 0.77 -2.81 0.00 0.00 179.45 178.00 1l5i h SER 102 N 0.70 -0.47 -0.39 4.20 0.02 -1.20 0.40 113.55 116.80 1l5i h SER 102 Ca 0.17 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1l5i h SER 102 Cb 0.25 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1l5i h SER 102 CO -0.01 -0.26 0.14 0.22 -1.14 0.00 0.00 176.83 175.78 1l5i h TYR 103 N -0.36 0.68 -0.67 3.45 3.20 -1.04 -1.76 116.97 120.46 1l5i h TYR 103 Ca 0.01 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1l5i h TYR 103 Cb 0.36 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1l5i h TYR 103 CO -0.16 0.56 0.29 0.82 -1.64 0.00 0.00 178.16 178.04 1l5i h ILE 104 N 0.66 1.23 0.00 1.81 2.04 0.10 -0.61 117.51 122.73 1l5i h ILE 104 Ca 0.15 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1l5i h ILE 104 Cb 0.21 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1l5i h ILE 104 CO -0.01 0.28 -0.28 -0.78 0.00 0.00 0.00 178.15 177.36 1l5i h ASP 105 N 0.96 0.00 0.00 1.72 1.82 -0.11 -3.34 116.42 117.47 1l5i h ASP 105 Ca 0.23 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 56.20 1l5i h ASP 105 Cb 0.15 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.16 1l5i h ASP 105 CO -0.02 0.28 2.75 0.29 -1.61 0.00 0.00 179.24 180.92 1l5i n LYS 106 N -3.53 2.21 -2.07 0.28 5.02 -0.24 -4.91 118.16 114.93 1l5i n LYS 106 Ca -0.00 -2.17 -0.27 0.00 -2.02 0.00 0.00 58.31 53.84 1l5i n LYS 106 Cb 0.43 -3.05 0.09 0.00 -0.02 0.00 0.00 35.03 32.48 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l5i s ASP 107 N 4.02 4.45 0.00 4.39 1.01 -1.26 -4.99 116.67 124.30 1l5i s ASP 107 Ca 0.52 0.52 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1l5i s ASP 107 Cb 0.14 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1l5i s ASP 107 CO 0.01 -1.88 0.00 0.61 0.21 0.00 0.00 175.17 174.12 1l5i n GLY 108 N -3.18 0.87 2.71 0.21 0.00 -1.26 -4.94 105.19 99.58 1l5i n GLY 108 Ca 0.09 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.52 -4.58 1.61 8.00 -1.26 -4.89 116.55 109.91 1l5i n ASP 109 Ca 0.00 -0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.06 1l5i n ASP 109 Cb 0.00 -4.42 -0.10 0.00 -0.02 0.00 0.00 41.12 36.58 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 -3.05 2.30 0.00 2.53 -7.23 -1.26 -4.55 120.40 109.15 1l5i s VAL 110 Ca 0.19 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1l5i s VAL 110 Cb -0.08 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1l5i s VAL 110 CO 0.23 -0.17 0.07 -0.22 -0.31 0.00 0.00 175.10 174.70 1l5i s LEU 111 N -3.66 3.83 -0.08 1.32 0.20 0.16 -5.02 118.68 115.44 1l5i s LEU 111 Ca 0.34 0.11 -0.00 0.00 0.69 0.00 0.00 54.13 55.26 1l5i s LEU 111 Cb 0.03 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.57 1l5i s LEU 111 CO 0.18 0.27 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.85 1l5i s GLU 112 N -1.76 1.04 0.06 1.98 2.02 -1.26 -2.28 118.70 118.50 1l5i s GLU 112 Ca 0.23 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.16 1l5i s GLU 112 Cb -0.12 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 1l5i s GLU 112 CO 0.14 -0.20 -0.14 -0.46 0.02 0.00 0.00 175.26 174.62 1l5i s TRP 113 N 1.48 1.19 0.17 1.61 -0.00 -0.72 -5.03 118.94 117.65 1l5i s TRP 113 Ca -0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 56.10 55.67 1l5i s TRP 113 Cb -0.13 -0.68 0.00 0.00 -0.00 0.00 0.00 33.47 32.65 1l5i s TRP 113 CO -0.04 0.04 0.00 0.41 -0.00 0.00 0.00 176.95 177.37 1l5i n GLY 114 N 1.52 -2.04 3.04 5.86 0.00 -1.26 -0.19 105.19 112.12 1l5i n GLY 114 Ca -0.20 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1l5i n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l5i s THR 115 N -1.56 1.65 0.43 2.61 2.01 -0.61 -4.72 115.64 115.45 1l5i s THR 115 Ca 0.00 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1l5i s THR 115 Cb 0.00 -1.54 -0.11 0.00 0.01 0.00 0.00 72.50 70.87 1l5i s THR 115 CO 0.00 0.47 0.95 0.12 -0.69 0.00 0.00 174.62 175.48 1l5i s PHE 116 N 1.40 3.31 -0.14 4.92 2.19 -1.26 -4.14 117.98 124.25 1l5i s PHE 116 Ca 0.04 1.61 -0.10 0.00 0.33 0.00 0.00 56.93 58.82 1l5i s PHE 116 Cb -0.13 -2.86 0.05 0.00 -1.31 0.00 0.00 43.02 38.76 1l5i s PHE 116 CO -0.10 -0.13 0.36 1.14 1.83 0.00 0.00 175.22 178.32 1l5i s GLN 117 N -3.14 0.37 -0.08 10.12 -2.07 -1.26 -5.05 119.66 118.54 1l5i s GLN 117 Ca 0.62 0.63 -0.27 0.00 -1.82 0.00 0.00 55.36 54.52 1l5i s GLN 117 Cb -0.10 0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 31.84 1l5i s GLN 117 CO 0.14 -0.12 0.88 0.42 -1.32 0.00 0.00 175.29 175.29 1l5i s ILE 118 N 0.92 4.90 -0.05 3.63 1.09 -1.26 -4.96 121.20 125.47 1l5i s ILE 118 Ca -0.06 1.79 -0.20 0.00 -1.10 0.00 0.00 60.65 61.08 1l5i s ILE 118 Cb -0.07 -4.20 -0.14 0.00 -1.06 0.00 0.00 42.46 36.99 1l5i s ILE 118 CO -0.07 0.11 0.81 -0.78 -0.10 0.00 0.00 174.94 174.91 1l5i h ASP 119 N 6.99 -0.21 0.00 3.58 3.58 -2.02 -3.48 116.42 124.87 1l5i h ASP 119 Ca -0.36 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.78 1l5i h ASP 119 Cb 1.18 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1l5i h ASP 119 CO 0.80 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 178.11 1l5i n GLY 120 N 0.64 1.67 0.17 -0.78 0.00 -1.26 -5.30 105.19 100.33 1l5i n GLY 120 Ca -0.07 0.37 0.15 0.00 0.00 0.00 0.00 46.02 46.47 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19