#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 4.36 3.22 0.23 0.00 -1.26 -5.17 105.19 106.57 1l5i n GLY 5 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.29 0.96 -0.62 1.61 0.52 -1.26 -5.09 118.95 111.77 1l5i s ARG 6 Ca 0.00 -1.30 -0.27 0.00 -0.52 0.00 0.00 55.73 53.64 1l5i s ARG 6 Cb 0.00 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.87 1l5i s ARG 6 CO 0.00 0.09 1.46 0.12 0.02 0.00 0.00 175.30 176.99 1l5i s PHE 7 N -2.81 2.16 -0.16 -0.53 5.36 -1.26 -4.95 117.98 115.79 1l5i s PHE 7 Ca 0.11 0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 56.43 1l5i s PHE 7 Cb -0.01 -4.41 0.05 0.00 -0.34 0.00 0.00 43.02 38.31 1l5i s PHE 7 CO 0.00 -2.08 -0.00 -1.54 -1.46 0.00 0.00 175.22 170.14 1l5i s SER 8 N 4.93 2.61 -0.10 6.13 1.04 -1.26 -4.08 113.70 122.97 1l5i s SER 8 Ca 0.50 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1l5i s SER 8 Cb -0.10 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 1l5i s SER 8 CO 0.21 -0.24 -0.09 -0.63 0.98 0.00 0.00 173.24 173.47 1l5i s ILE 9 N 1.80 3.44 -0.20 -1.02 1.01 -1.12 -4.91 121.20 120.21 1l5i s ILE 9 Ca 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1l5i s ILE 9 Cb -0.15 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 39.95 1l5i s ILE 9 CO -0.07 0.56 0.04 -0.54 0.00 0.00 0.00 174.94 174.92 1l5i s LYS 10 N -0.28 0.66 0.15 2.79 1.02 -1.26 0.11 119.74 122.92 1l5i s LYS 10 Ca 0.03 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.35 1l5i s LYS 10 Cb -0.13 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1l5i s LYS 10 CO 0.03 -0.64 0.74 0.00 -0.92 0.00 0.00 175.35 174.55 1l5i s ALA 11 N 1.85 -1.57 -0.23 5.17 0.00 -0.98 -4.97 121.76 121.04 1l5i s ALA 11 Ca -0.01 0.37 0.21 0.00 0.00 0.00 0.00 51.96 52.53 1l5i s ALA 11 Cb -0.17 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1l5i s ALA 11 CO -0.08 -0.85 1.06 1.57 0.00 0.00 0.00 175.76 177.46 1l5i h LYS 12 N 2.00 0.00 -5.86 0.00 5.09 -1.85 -1.00 116.57 114.95 1l5i h LYS 12 Ca -0.27 0.00 -0.68 0.00 0.09 0.00 0.00 60.65 59.79 1l5i h LYS 12 Cb 1.27 0.00 -0.29 0.00 0.10 0.00 0.00 32.23 33.32 1l5i h LYS 12 CO 0.31 0.08 -0.83 -0.80 -2.09 0.00 0.00 179.45 176.12 1l5i s ASN 13 N -5.56 3.53 -0.02 7.07 0.01 -1.26 -2.24 114.94 116.47 1l5i s ASN 13 Ca -0.00 -0.40 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 1l5i s ASN 13 Cb 0.09 -1.08 -0.00 0.00 0.41 0.00 0.00 41.25 40.67 1l5i s ASN 13 CO 0.78 0.24 -0.11 -0.31 -1.51 0.00 0.00 177.10 176.19 1l5i s TYR 14 N -0.13 1.08 -0.14 2.20 2.02 -0.71 -2.45 117.35 119.21 1l5i s TYR 14 Ca -0.03 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1l5i s TYR 14 Cb -0.14 -0.74 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1l5i s TYR 14 CO 0.04 -0.08 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.66 1l5i s PHE 15 N 0.02 2.64 -0.18 2.71 0.08 0.16 -1.75 117.98 121.66 1l5i s PHE 15 Ca -0.01 -1.35 -0.07 0.00 0.12 0.00 0.00 56.93 55.63 1l5i s PHE 15 Cb -0.08 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1l5i s PHE 15 CO 0.00 -0.62 0.05 -0.51 -0.10 0.00 0.00 175.22 174.04 1l5i s LEU 16 N 0.86 3.70 -0.20 -0.37 2.01 -0.40 -1.25 118.68 123.03 1l5i s LEU 16 Ca -0.06 0.03 0.01 0.00 0.01 0.00 0.00 54.13 54.12 1l5i s LEU 16 Cb -0.15 -1.93 0.03 0.00 0.01 0.00 0.00 46.19 44.14 1l5i s LEU 16 CO -0.03 0.16 -0.17 -0.89 1.01 0.00 0.00 176.35 176.43 1l5i s THR 17 N 0.44 2.17 -0.40 5.49 2.01 -1.00 -1.91 115.64 122.43 1l5i s THR 17 Ca 0.02 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 1l5i s THR 17 Cb -0.13 -1.98 0.08 0.00 0.01 0.00 0.00 72.50 70.49 1l5i s THR 17 CO 0.01 0.43 0.22 -0.31 -0.69 0.00 0.00 174.62 174.28 1l5i s TYR 18 N 1.27 3.39 0.20 4.92 1.51 -0.96 -2.29 117.35 125.38 1l5i s TYR 18 Ca 0.03 -1.77 -0.30 0.00 -1.01 0.00 0.00 57.07 54.02 1l5i s TYR 18 Cb -0.14 -2.94 -0.08 0.00 -0.11 0.00 0.00 41.96 38.69 1l5i s TYR 18 CO -0.11 -0.87 1.11 -1.25 -1.11 0.00 0.00 175.55 173.31 1l5i s PRO 19 N 1.34 4.59 -1.60 -1.71 0.04 -1.26 -2.40 135.00 134.01 1l5i s PRO 19 Ca 0.03 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1l5i s PRO 19 Cb -0.23 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.10 1l5i s PRO 19 CO 0.00 0.09 0.11 1.63 0.04 0.00 0.00 177.00 178.87 1l5i n LYS 20 N 2.17 -0.90 -3.82 4.56 4.01 -0.91 -4.88 118.16 118.39 1l5i n LYS 20 Ca 0.02 0.10 -0.36 0.00 -0.51 0.00 0.00 58.31 57.56 1l5i n LYS 20 Cb 0.46 -3.75 -0.12 0.00 -0.51 0.00 0.00 35.03 31.11 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1l5i n ASP 22 N 4.64 1.96 -4.74 0.00 9.92 -1.26 -4.55 116.55 122.52 1l5i n ASP 22 Ca -0.16 -2.15 -0.41 0.00 -0.53 0.00 0.00 54.79 51.54 1l5i n ASP 22 Cb 0.52 -0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1l5i s LEU 23 N -0.98 4.43 0.54 0.64 2.96 -1.26 -5.02 118.68 119.99 1l5i s LEU 23 Ca 0.18 2.33 -0.05 0.00 -0.22 0.00 0.00 54.13 56.37 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 -0.46 0.84 0.42 -1.32 0.00 0.00 176.35 175.92 1l5i s THR 24 N 0.04 4.27 0.27 3.68 -4.23 -1.26 -4.95 115.64 113.45 1l5i s THR 24 Ca 0.55 0.10 0.17 0.00 -1.18 0.00 0.00 61.69 61.33 1l5i s THR 24 Cb -0.35 -3.65 0.12 0.00 1.34 0.00 0.00 72.50 69.95 1l5i s THR 24 CO 0.38 -0.66 1.78 0.07 -0.54 0.00 0.00 174.62 175.65 1l5i h LYS 25 N 0.02 0.00 -0.14 3.99 5.09 -1.96 -0.94 116.57 122.64 1l5i h LYS 25 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.26 1l5i h LYS 25 Cb 1.23 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.56 1l5i h LYS 25 CO 0.61 0.38 -0.00 1.49 -2.09 0.00 0.00 179.45 179.84 1l5i h GLU 26 N 0.00 0.24 -0.31 0.07 4.22 -1.97 1.23 114.58 118.06 1l5i h GLU 26 Ca -0.00 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 1l5i h GLU 26 Cb 0.80 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1l5i h GLU 26 CO 0.05 0.48 -0.13 -0.91 -2.18 0.00 0.00 179.01 176.32 1l5i h ASN 27 N -0.03 0.65 0.18 1.04 -0.26 -1.92 0.74 115.58 115.98 1l5i h ASN 27 Ca 0.04 -0.39 -0.09 0.00 -0.56 0.00 0.00 56.30 55.29 1l5i h ASN 27 Cb 0.37 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1l5i h ASN 27 CO 0.01 0.90 -0.34 0.00 -1.06 0.00 0.00 177.43 176.94 1l5i h ALA 28 N 0.77 1.22 -0.25 -0.83 0.00 -1.11 0.39 119.26 119.45 1l5i h ALA 28 Ca 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1l5i h ALA 28 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1l5i h ALA 28 CO 0.04 0.53 -0.19 1.25 0.00 0.00 0.00 179.25 180.88 1l5i h LEU 29 N 0.20 0.60 -0.26 0.00 7.12 0.18 0.60 115.31 123.76 1l5i h LEU 29 Ca 0.03 -0.45 -0.10 0.00 0.13 0.00 0.00 57.88 57.49 1l5i h LEU 29 Cb 0.70 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1l5i h LEU 29 CO 0.05 0.92 -0.24 0.28 -0.13 0.00 0.00 178.44 179.32 1l5i h SER 30 N 0.29 0.66 -0.12 1.25 0.02 -0.57 0.51 113.55 115.58 1l5i h SER 30 Ca 0.05 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1l5i h SER 30 Cb 0.72 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1l5i h SER 30 CO 0.05 0.99 0.00 1.56 -1.14 0.00 0.00 176.83 178.29 1l5i h GLN 31 N 0.34 0.22 -0.29 3.45 4.20 -0.21 0.55 115.11 123.38 1l5i h GLN 31 Ca 0.04 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1l5i h GLN 31 Cb 0.80 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1l5i h GLN 31 CO 0.06 0.46 0.04 0.82 -0.67 0.00 0.00 178.83 179.54 1l5i h ILE 32 N -0.05 1.23 -0.25 2.54 1.08 0.20 0.55 117.51 122.82 1l5i h ILE 32 Ca 0.03 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 1l5i h ILE 32 Cb 0.36 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1l5i h ILE 32 CO 0.01 0.26 -0.07 0.74 -0.69 0.00 0.00 178.15 178.40 1l5i h THR 33 N 0.29 1.19 0.00 -0.27 2.02 0.09 -0.65 112.91 115.58 1l5i h THR 33 Ca 0.09 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1l5i h THR 33 Cb 0.35 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1l5i h THR 33 CO 0.01 0.26 -0.29 0.59 0.37 0.00 0.00 175.52 176.46 1l5i n ASN 34 N -4.27 0.31 -4.65 4.18 3.02 0.19 -4.80 115.26 109.24 1l5i n ASN 34 Ca 0.00 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 1l5i n ASN 34 Cb 0.26 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 -3.09 4.14 0.67 3.41 1.02 0.19 -5.00 118.68 120.02 1l5i s LEU 35 Ca 0.12 1.71 -0.11 0.00 0.02 0.00 0.00 54.13 55.87 1l5i s LEU 35 Cb 0.18 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 1l5i s LEU 35 CO 0.63 -0.87 1.06 -1.10 0.02 0.00 0.00 176.35 176.09 1l5i s GLN 36 N 3.77 3.15 0.08 1.70 -0.21 -1.26 -4.96 119.66 121.93 1l5i s GLN 36 Ca 0.59 0.64 -0.10 0.00 0.02 0.00 0.00 55.36 56.51 1l5i s GLN 36 Cb -0.23 -2.04 0.01 0.00 1.00 0.00 0.00 33.01 31.75 1l5i s GLN 36 CO 0.19 -0.87 0.22 -0.08 -2.12 0.00 0.00 175.29 172.64 1l5i s THR 37 N -3.24 0.12 -1.38 -0.19 -1.32 -1.26 -5.02 115.64 103.35 1l5i s THR 37 Ca 0.57 -1.02 0.23 0.00 -1.21 0.00 0.00 61.69 60.26 1l5i s THR 37 Cb -0.11 -1.21 0.37 0.00 -1.51 0.00 0.00 72.50 70.04 1l5i s THR 37 CO 0.53 -0.56 1.73 -0.81 -2.21 0.00 0.00 174.62 173.30 1l5i n PRO 38 N 0.11 0.28 0.00 7.08 -0.04 -1.26 -4.60 135.00 136.58 1l5i n PRO 38 Ca -0.16 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1l5i n PRO 38 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1l5i n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 39 N -1.31 0.00 -3.64 0.52 5.66 -1.26 -5.11 114.28 109.14 1l5i n THR 39 Ca 0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.01 1l5i n THR 39 Cb 0.19 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.90 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 0.41 -0.43 -0.16 1.09 2.47 -1.26 -4.99 114.94 112.08 1l5i s ASN 40 Ca 0.00 0.82 -0.19 0.00 0.42 0.00 0.00 52.86 53.91 1l5i s ASN 40 Cb 0.00 0.84 -0.04 0.00 -1.45 0.00 0.00 41.25 40.60 1l5i s ASN 40 CO 0.00 -0.14 0.53 -0.54 -3.72 0.00 0.00 177.10 173.23 1l5i s LYS 41 N 0.23 4.27 0.00 0.43 1.02 -1.26 -1.81 119.74 122.62 1l5i s LYS 41 Ca 0.03 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.51 1l5i s LYS 41 Cb -0.05 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1l5i s LYS 41 CO -0.07 -0.03 0.00 1.28 -0.92 0.00 0.00 175.35 175.61 1l5i n LEU 42 N 4.33 0.00 -4.87 3.17 4.32 -0.89 -4.90 117.00 118.16 1l5i n LEU 42 Ca -0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.69 1l5i n LEU 42 Cb 0.51 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.27 1l5i n LEU 42 CO 0.43 0.00 -0.15 0.12 -1.22 0.00 0.00 177.39 176.57 1l5i s PHE 43 N 0.00 3.28 -0.05 -1.77 5.36 -1.19 -3.40 117.98 120.21 1l5i s PHE 43 Ca 0.00 0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1l5i s PHE 43 Cb 0.00 -1.55 0.03 0.00 -0.34 0.00 0.00 43.02 41.16 1l5i s PHE 43 CO 0.00 0.51 0.03 0.42 -1.46 0.00 0.00 175.22 174.72 1l5i s ILE 44 N -1.83 0.11 -0.32 3.12 1.01 0.64 -2.49 121.20 121.44 1l5i s ILE 44 Ca 0.33 0.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 1l5i s ILE 44 Cb -0.10 -0.32 0.05 0.00 0.01 0.00 0.00 42.46 42.11 1l5i s ILE 44 CO 0.26 0.21 0.04 -0.75 0.00 0.00 0.00 174.94 174.70 1l5i s LYS 45 N 2.06 2.43 -0.25 2.79 2.47 0.13 -1.99 119.74 127.38 1l5i s LYS 45 Ca 0.05 -1.29 -0.01 0.00 -1.56 0.00 0.00 55.97 53.16 1l5i s LYS 45 Cb -0.12 -3.27 0.03 0.00 -1.46 0.00 0.00 37.83 33.02 1l5i s LYS 45 CO -0.04 -0.66 -0.07 0.42 0.16 0.00 0.00 175.35 175.16 1l5i s ILE 46 N 1.27 2.76 -0.02 5.43 1.01 -0.97 0.48 121.20 131.16 1l5i s ILE 46 Ca -0.03 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.53 1l5i s ILE 46 Cb -0.20 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 1l5i s ILE 46 CO -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 174.94 174.99 1l5i s ARG 48 N -0.11 3.40 -0.02 0.00 3.52 -1.26 -0.75 118.95 123.73 1l5i s ARG 48 Ca 0.02 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1l5i s ARG 48 Cb -0.06 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1l5i s ARG 48 CO -0.00 0.73 -0.03 -2.00 -0.81 0.00 0.00 175.30 173.19 1l5i s GLU 49 N -1.44 0.39 -0.13 5.12 2.56 -0.58 -4.92 118.70 119.70 1l5i s GLU 49 Ca 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 54.97 55.02 1l5i s GLU 49 Cb -0.12 -0.45 -0.05 0.00 2.00 0.00 0.00 34.13 35.51 1l5i s GLU 49 CO 0.11 -0.02 0.21 -0.51 -0.56 0.00 0.00 175.26 174.48 1l5i s LEU 50 N 0.48 4.32 0.37 2.70 2.01 -1.26 -0.28 118.68 127.02 1l5i s LEU 50 Ca -0.05 0.49 -0.07 0.00 0.01 0.00 0.00 54.13 54.50 1l5i s LEU 50 Cb -0.08 -2.22 -0.05 0.00 0.01 0.00 0.00 46.19 43.85 1l5i s LEU 50 CO -0.01 0.27 0.69 -1.00 1.01 0.00 0.00 176.35 177.31 1l5i s HIS 51 N -0.35 3.49 -1.39 0.29 3.76 -0.74 -4.89 115.29 115.46 1l5i s HIS 51 Ca 0.15 0.84 0.26 0.00 -0.15 0.00 0.00 55.06 56.16 1l5i s HIS 51 Cb -0.13 -2.28 1.28 0.00 1.11 0.00 0.00 32.58 32.56 1l5i s HIS 51 CO 0.04 -0.02 1.86 -1.91 -0.85 0.00 0.00 174.74 173.86 1l5i n GLU 52 N -1.31 0.33 0.00 1.40 4.07 -1.26 -2.37 120.64 121.49 1l5i n GLU 52 Ca 0.00 0.05 0.15 0.00 -0.06 0.00 0.00 57.16 57.30 1l5i n GLU 52 Cb 0.54 -1.50 0.70 0.00 -0.06 0.00 0.00 31.44 31.12 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1l5i n ASN 53 N -1.31 0.25 0.00 4.31 4.13 -1.26 -4.87 115.26 116.51 1l5i n ASN 53 Ca 0.12 -0.45 0.00 0.00 1.68 0.00 0.00 54.58 55.92 1l5i n ASN 53 Cb 0.21 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 1.25 0.83 3.76 7.41 0.00 -1.00 -5.04 105.19 112.40 1l5i n GLY 54 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.53 4.11 0.02 1.61 4.04 -1.26 -4.94 118.70 121.75 1l5i s GLU 55 Ca 0.00 0.10 -0.30 0.00 0.04 0.00 0.00 54.97 54.80 1l5i s GLU 55 Cb 0.00 -3.37 -0.05 0.00 0.02 0.00 0.00 34.13 30.73 1l5i s GLU 55 CO 0.00 0.36 1.18 -1.25 -1.84 0.00 0.00 175.26 173.72 1l5i s PRO 56 N 0.08 4.41 0.15 -4.83 0.04 -1.26 -1.79 135.00 131.81 1l5i s PRO 56 Ca 0.17 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.00 1l5i s PRO 56 Cb -0.13 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1l5i s PRO 56 CO 0.05 -0.31 -0.07 -1.58 0.04 0.00 0.00 177.00 175.14 1l5i s HIS 57 N 1.45 2.74 -0.00 0.56 2.46 0.61 -1.46 115.29 121.66 1l5i s HIS 57 Ca 0.57 -0.17 0.04 0.00 0.47 0.00 0.00 55.06 55.97 1l5i s HIS 57 Cb -0.27 -1.37 -0.01 0.00 -0.13 0.00 0.00 32.58 30.80 1l5i s HIS 57 CO 0.27 0.48 -0.13 -1.17 -2.47 0.00 0.00 174.74 171.73 1l5i s LEU 58 N -2.64 2.05 0.00 8.88 1.98 -1.01 -1.52 118.68 126.43 1l5i s LEU 58 Ca 0.24 -0.27 0.06 0.00 -2.89 0.00 0.00 54.13 51.27 1l5i s LEU 58 Cb -0.10 -0.63 -0.02 0.00 0.66 0.00 0.00 46.19 46.11 1l5i s LEU 58 CO 0.16 0.13 -0.18 -1.00 -1.89 0.00 0.00 176.35 173.56 1l5i s HIS 59 N -0.40 1.63 -0.03 5.38 3.76 0.07 -2.26 115.29 123.43 1l5i s HIS 59 Ca 0.04 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1l5i s HIS 59 Cb -0.05 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.62 1l5i s HIS 59 CO -0.00 0.00 0.07 0.42 -0.85 0.00 0.00 174.74 174.39 1l5i s ILE 60 N -0.54 -0.00 -0.16 0.60 1.01 -0.80 -1.56 121.20 119.74 1l5i s ILE 60 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1l5i s ILE 60 Cb -0.07 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.34 1l5i s ILE 60 CO 0.00 0.00 0.07 -0.22 0.00 0.00 0.00 174.94 174.80 1l5i s LEU 61 N 0.08 0.52 0.11 2.97 1.98 0.18 -1.28 118.68 123.24 1l5i s LEU 61 Ca -0.00 -0.59 0.08 0.00 -2.89 0.00 0.00 54.13 50.73 1l5i s LEU 61 Cb -0.01 -0.32 -0.04 0.00 0.66 0.00 0.00 46.19 46.48 1l5i s LEU 61 CO -0.00 -0.33 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.35 1l5i s ILE 62 N 2.07 3.04 -0.11 6.68 1.01 -0.71 0.19 121.20 133.37 1l5i s ILE 62 Ca 0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 60.65 59.25 1l5i s ILE 62 Cb -0.16 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1l5i s ILE 62 CO -0.08 0.12 0.02 0.00 0.00 0.00 0.00 174.94 175.00 1l5i s GLN 63 N -2.14 0.54 0.34 2.79 1.03 -1.04 -1.74 119.66 119.44 1l5i s GLN 63 Ca 0.19 -0.05 -0.04 0.00 0.04 0.00 0.00 55.36 55.50 1l5i s GLN 63 Cb -0.11 -1.36 -0.05 0.00 0.03 0.00 0.00 33.01 31.53 1l5i s GLN 63 CO 0.11 -0.44 0.61 -0.06 -2.54 0.00 0.00 175.29 172.97 1l5i s PHE 64 N 1.96 3.50 0.41 9.60 0.40 -0.95 -2.10 117.98 130.80 1l5i s PHE 64 Ca 0.03 0.63 0.08 0.00 -0.60 0.00 0.00 56.93 57.07 1l5i s PHE 64 Cb -0.14 -2.11 0.87 0.00 0.51 0.00 0.00 43.02 42.15 1l5i s PHE 64 CO -0.06 0.06 2.03 1.49 0.70 0.00 0.00 175.22 179.44 1l5i h GLU 65 N 1.17 0.43 -5.78 0.44 4.22 -1.70 -3.43 114.58 109.94 1l5i h GLU 65 Ca -0.48 -0.04 -0.49 0.00 0.08 0.00 0.00 59.36 58.42 1l5i h GLU 65 Cb 1.20 -0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 1l5i h GLU 65 CO 0.64 0.34 -0.76 0.20 -2.18 0.00 0.00 179.01 177.25 1l5i s GLY 66 N -3.80 1.43 -0.00 1.92 0.00 -1.26 -5.05 107.32 100.56 1l5i s GLY 66 Ca -0.07 -1.58 -0.31 0.00 0.00 0.00 0.00 44.72 42.76 1l5i s GLY 66 CO 0.73 -1.65 1.97 0.28 0.00 0.00 0.00 173.10 174.43 1l5i n LYS 67 N -0.03 2.68 -3.77 2.90 5.02 -1.26 -4.75 118.16 118.94 1l5i n LYS 67 Ca -0.11 0.98 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 1l5i n LYS 67 Cb 0.59 -2.94 -0.06 0.00 -0.02 0.00 0.00 35.03 32.60 1l5i n LYS 67 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1l5i s TYR 68 N 4.54 3.61 -0.46 2.13 5.04 -0.38 -4.85 117.35 126.98 1l5i s TYR 68 Ca 0.90 0.61 -0.16 0.00 -2.44 0.00 0.00 57.07 55.99 1l5i s TYR 68 Cb -0.49 -2.01 0.06 0.00 0.35 0.00 0.00 41.96 39.87 1l5i s TYR 68 CO 0.44 0.67 0.40 1.21 -1.34 0.00 0.00 175.55 176.93 1l5i s ASN 69 N -1.35 6.15 -1.09 4.32 3.04 -1.26 -2.31 114.94 122.45 1l5i s ASN 69 Ca 0.22 -1.20 -0.04 0.00 0.04 0.00 0.00 52.86 51.88 1l5i s ASN 69 Cb -0.13 -2.19 0.30 0.00 -1.54 0.00 0.00 41.25 37.68 1l5i s ASN 69 CO 0.11 -0.63 1.61 0.00 -3.04 0.00 0.00 177.10 175.15 1l5i n THR 71 N 1.21 2.96 -3.49 0.00 5.66 -1.26 -2.78 114.28 116.58 1l5i n THR 71 Ca 0.32 -1.79 0.01 0.00 -3.05 0.00 0.00 64.05 59.54 1l5i n THR 71 Cb 0.32 -0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 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 -0.99 -1.13 -0.24 1.09 2.47 -1.26 -4.73 114.94 110.16 1l5i s ASN 72 Ca 0.49 1.30 -0.00 0.00 0.42 0.00 0.00 52.86 55.07 1l5i s ASN 72 Cb 0.41 2.18 0.20 0.00 -1.45 0.00 0.00 41.25 42.59 1l5i s ASN 72 CO 0.07 -0.21 1.84 0.00 -3.72 0.00 0.00 177.10 175.08 1l5i n GLN 73 N 5.40 1.61 -0.00 0.43 10.64 -1.26 -3.53 117.38 130.66 1l5i n GLN 73 Ca -0.09 -1.25 0.02 0.00 -1.83 0.00 0.00 57.00 53.85 1l5i n GLN 73 Cb 0.50 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 28.35 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 0.37 0.35 0.06 2.61 1.74 -1.26 -4.44 116.66 116.09 1l5i n ARG 74 Ca 0.24 -0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 57.11 1l5i n ARG 74 Cb 0.67 -1.12 -0.08 0.00 -1.02 0.00 0.00 32.46 30.91 1l5i n ARG 74 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1l5i h PHE 75 N 0.00 0.81 -0.30 -1.55 3.57 -2.01 -3.09 116.94 114.38 1l5i h PHE 75 Ca -0.01 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1l5i h PHE 75 Cb 0.31 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1l5i h PHE 75 CO 0.00 1.28 0.00 1.19 -2.23 0.00 0.00 178.31 178.55 1l5i n PHE 76 N -3.79 0.53 -1.94 0.41 3.72 -1.26 -4.86 117.46 110.27 1l5i n PHE 76 Ca -0.09 -0.23 -0.43 0.00 -0.05 0.00 0.00 57.45 56.65 1l5i n PHE 76 Cb 0.87 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.84 5.84 -0.09 4.37 1.01 -1.17 -4.43 116.67 121.35 1l5i s ASP 77 Ca 0.21 1.41 -0.01 0.00 0.71 0.00 0.00 52.55 54.87 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 -1.74 -0.06 -0.76 0.21 0.00 0.00 175.17 172.95 1l5i s LEU 78 N 7.06 3.19 0.30 1.23 1.43 -0.96 -4.99 118.68 125.95 1l5i s LEU 78 Ca 0.83 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.95 1l5i s LEU 78 Cb -0.24 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 1l5i s LEU 78 CO 0.34 0.30 -0.07 0.68 0.23 0.00 0.00 176.35 177.83 1l5i s VAL 79 N -0.46 1.86 -0.26 -1.59 -7.23 -1.26 0.36 120.40 111.81 1l5i s VAL 79 Ca 0.07 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 57.84 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 -0.27 0.83 -0.55 -0.31 0.00 0.00 175.10 174.82 1l5i s SER 80 N -3.50 6.79 0.00 4.85 0.15 0.02 -4.90 113.70 117.11 1l5i s SER 80 Ca 0.30 0.93 0.22 0.00 0.70 0.00 0.00 55.95 58.10 1l5i s SER 80 Cb 0.03 -2.43 1.00 0.00 -1.71 0.00 0.00 66.02 62.91 1l5i s SER 80 CO 0.13 -0.56 1.71 -0.81 1.20 0.00 0.00 173.24 174.91 1l5i n PRO 81 N 6.11 0.11 -0.00 5.44 -0.04 -1.26 -2.62 135.00 142.74 1l5i n PRO 81 Ca 0.05 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1l5i n PRO 81 Cb 0.48 -1.50 -0.08 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 -1.42 0.00 -4.30 0.52 5.66 -1.26 -4.99 114.28 108.48 1l5i n THR 82 Ca 0.07 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.64 1l5i n THR 82 Cb 0.23 0.37 -0.14 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.64 0.73 -0.73 1.09 3.52 -1.08 -5.03 118.95 114.81 1l5i s ARG 83 Ca -0.03 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 1l5i s ARG 83 Cb 0.07 -0.68 -0.15 0.00 -1.56 0.00 0.00 34.95 32.63 1l5i s ARG 83 CO 0.45 0.18 2.91 0.45 -0.81 0.00 0.00 175.30 178.48 1l5i n SER 84 N 2.41 6.06 -4.14 -2.12 2.88 -1.26 -3.81 113.62 113.63 1l5i n SER 84 Ca -0.16 -2.41 -0.22 0.00 -1.33 0.00 0.00 58.87 54.75 1l5i n SER 84 Cb 0.56 -1.31 -0.14 0.00 -0.75 0.00 0.00 64.21 62.57 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 1.97 1.26 0.04 -1.46 0.00 -1.26 -5.04 121.76 117.28 1l5i s ALA 85 Ca 0.58 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1l5i s ALA 85 Cb 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1l5i s ALA 85 CO -0.03 0.28 -0.01 -1.01 0.00 0.00 0.00 175.76 175.00 1l5i s HIS 86 N -0.57 3.02 -0.05 0.00 3.76 -1.26 -0.80 115.29 119.39 1l5i s HIS 86 Ca 0.04 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 1l5i s HIS 86 Cb -0.07 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1l5i s HIS 86 CO 0.00 0.46 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.13 1l5i s PHE 87 N -1.19 1.72 -0.44 1.40 0.08 0.16 -4.96 117.98 114.75 1l5i s PHE 87 Ca 0.22 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 1l5i s PHE 87 Cb -0.12 -1.18 0.11 0.00 -0.57 0.00 0.00 43.02 41.27 1l5i s PHE 87 CO 0.14 -0.21 0.27 -1.58 -0.10 0.00 0.00 175.22 173.75 1l5i s HIS 88 N 0.19 3.47 0.71 0.36 5.65 -1.26 -2.26 115.29 122.14 1l5i s HIS 88 Ca -0.07 -2.04 -0.11 0.00 0.25 0.00 0.00 55.06 53.09 1l5i s HIS 88 Cb -0.13 -3.30 0.02 0.00 -1.18 0.00 0.00 32.58 27.99 1l5i s HIS 88 CO 0.03 -0.97 1.07 -1.25 -0.65 0.00 0.00 174.74 172.97 1l5i s PRO 89 N 1.28 2.81 -0.27 2.88 0.04 -1.26 -4.91 135.00 135.58 1l5i s PRO 89 Ca 0.06 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 1l5i s PRO 89 Cb -0.24 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1l5i s PRO 89 CO -0.02 -1.18 0.17 -0.80 0.04 0.00 0.00 177.00 175.21 1l5i s ASN 90 N -3.82 5.89 -0.10 6.66 0.01 -0.97 -4.87 114.94 117.74 1l5i s ASN 90 Ca 0.58 -0.03 -0.23 0.00 -0.71 0.00 0.00 52.86 52.48 1l5i s ASN 90 Cb -0.14 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 1l5i s ASN 90 CO 0.55 -0.03 0.67 -0.63 -1.51 0.00 0.00 177.10 176.15 1l5i s ILE 91 N 1.64 5.05 -0.03 0.60 1.09 -1.26 -2.37 121.20 125.92 1l5i s ILE 91 Ca 0.07 1.36 0.01 0.00 -1.10 0.00 0.00 60.65 60.99 1l5i s ILE 91 Cb -0.16 -4.01 0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1l5i s ILE 91 CO 0.09 0.23 -0.04 -1.10 -0.10 0.00 0.00 174.94 174.02 1l5i s GLN 92 N 1.00 0.61 -0.24 2.79 -0.21 -0.38 -4.93 119.66 118.29 1l5i s GLN 92 Ca 0.35 -0.11 -0.14 0.00 0.02 0.00 0.00 55.36 55.48 1l5i s GLN 92 Cb -0.17 -0.64 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 1l5i s GLN 92 CO 0.16 -0.02 0.34 0.20 -2.12 0.00 0.00 175.29 173.85 1l5i s GLY 93 N 0.56 1.98 -0.34 3.09 0.00 -1.26 0.36 107.32 111.70 1l5i s GLY 93 Ca -0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 1l5i s GLY 93 CO -0.00 0.81 1.25 0.00 0.00 0.00 0.00 173.10 175.17 1l5i s ALA 94 N 1.61 3.31 -1.08 3.20 0.00 -1.03 -4.85 121.76 122.93 1l5i s ALA 94 Ca 0.15 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.17 1l5i s ALA 94 Cb -0.15 -3.80 0.47 0.00 0.00 0.00 0.00 23.12 19.64 1l5i s ALA 94 CO 0.08 -1.88 1.32 1.63 0.00 0.00 0.00 175.76 176.91 1l5i n LYS 95 N 7.42 0.03 -3.63 0.00 5.02 -1.26 -4.65 118.16 121.09 1l5i n LYS 95 Ca 0.14 0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 1l5i n LYS 95 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1l5i s SER 96 N -2.92 5.22 -0.05 4.39 0.01 -1.26 -5.06 113.70 114.04 1l5i s SER 96 Ca 0.06 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1l5i s SER 96 Cb 0.07 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1l5i s SER 96 CO 0.19 -0.52 -0.06 -1.54 0.41 0.00 0.00 173.24 171.72 1l5i n SER 97 N -1.50 2.00 0.06 2.44 3.41 -1.26 -4.70 113.62 114.07 1l5i n SER 97 Ca 0.01 0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1l5i n SER 97 Cb 0.61 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 1l5i n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1l5i h SER 98 N -0.09 0.00 -0.71 4.04 0.02 -1.99 -3.23 113.55 111.59 1l5i h SER 98 Ca -0.12 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.03 1l5i h SER 98 Cb 1.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1l5i h SER 98 CO -0.05 0.98 0.89 -0.78 -1.14 0.00 0.00 176.83 176.72 1l5i h ASP 99 N 0.00 0.00 -0.37 3.07 3.58 -2.00 1.84 116.42 122.54 1l5i h ASP 99 Ca -0.04 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 1l5i h ASP 99 Cb 1.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.82 1l5i h ASP 99 CO 0.12 0.00 -0.10 -0.37 -2.88 0.00 0.00 179.24 176.01 1l5i h VAL 100 N 0.00 1.28 -0.88 2.25 -1.51 -1.86 -2.69 116.25 112.84 1l5i h VAL 100 Ca 0.34 -1.19 0.03 0.00 -1.23 0.00 0.00 66.70 64.65 1l5i h VAL 100 Cb 2.10 1.28 -0.05 0.00 -2.13 0.00 0.00 31.29 32.50 1l5i h VAL 100 CO -0.00 0.39 0.58 0.50 -1.23 0.00 0.00 177.57 177.81 1l5i h LYS 101 N 0.53 1.07 -0.42 5.19 3.11 0.26 0.28 116.57 126.60 1l5i h LYS 101 Ca 0.09 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1l5i h LYS 101 Cb 0.62 -0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.58 1l5i h LYS 101 CO 0.04 0.71 0.20 0.77 -2.81 0.00 0.00 179.45 178.36 1l5i h SER 102 N 1.10 0.29 0.26 4.20 0.02 -1.18 -0.72 113.55 117.52 1l5i h SER 102 Ca 0.35 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1l5i h SER 102 Cb 0.01 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1l5i h SER 102 CO -0.10 0.21 -0.57 0.22 -1.14 0.00 0.00 176.83 175.45 1l5i h TYR 103 N 0.41 0.41 -0.28 3.45 3.20 -1.01 -2.85 116.97 120.31 1l5i h TYR 103 Ca 0.18 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 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 -0.11 0.82 0.13 0.82 -1.64 0.00 0.00 178.16 178.18 1l5i h ILE 104 N 0.25 1.10 0.00 1.81 2.04 0.29 0.13 117.51 123.13 1l5i h ILE 104 Ca -0.00 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1l5i h ILE 104 Cb 1.07 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1l5i h ILE 104 CO 0.09 0.12 -0.19 -0.78 0.00 0.00 0.00 178.15 177.39 1l5i h ASP 105 N 0.39 0.00 0.00 1.72 3.58 -0.91 -3.33 116.42 117.87 1l5i h ASP 105 Ca 0.10 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.88 1l5i h ASP 105 Cb 0.06 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.12 1l5i h ASP 105 CO -0.01 0.19 2.72 0.29 -2.88 0.00 0.00 179.24 179.55 1l5i n LYS 106 N -3.53 2.17 -0.73 0.28 5.02 0.44 -4.89 118.16 116.93 1l5i n LYS 106 Ca -0.01 -2.16 -0.08 0.00 -2.02 0.00 0.00 58.31 54.04 1l5i n LYS 106 Cb 0.35 -3.05 0.06 0.00 -0.02 0.00 0.00 35.03 32.36 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 6.61 0.12 0.00 4.39 5.75 -1.25 -5.02 116.55 127.15 1l5i n ASP 107 Ca 0.51 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1l5i n ASP 107 Cb 0.38 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 2.44 1.00 2.60 6.12 0.00 -1.26 -4.97 105.19 111.12 1l5i n GLY 108 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.79 -4.10 1.61 8.00 -1.26 -4.83 116.55 110.18 1l5i n ASP 109 Ca 0.00 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 1l5i n ASP 109 Cb 0.00 -3.90 -0.10 0.00 -0.02 0.00 0.00 41.12 37.10 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 -3.07 0.13 0.04 2.53 -7.23 -1.26 -4.13 120.40 107.42 1l5i s VAL 110 Ca 0.08 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1l5i s VAL 110 Cb -0.01 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1l5i s VAL 110 CO 0.51 -0.61 0.08 -0.22 -0.31 0.00 0.00 175.10 174.55 1l5i s LEU 111 N -3.00 3.85 -0.08 1.32 0.20 0.12 -5.01 118.68 116.10 1l5i s LEU 111 Ca 0.18 0.07 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1l5i s LEU 111 Cb 0.07 -2.38 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 1l5i s LEU 111 CO -0.02 0.22 -0.06 -1.61 -0.29 0.00 0.00 176.35 174.59 1l5i s GLU 112 N -2.05 1.21 0.08 1.98 2.02 -1.26 -2.29 118.70 118.38 1l5i s GLU 112 Ca 0.26 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1l5i s GLU 112 Cb -0.12 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1l5i s GLU 112 CO 0.18 -0.17 -0.09 -0.46 0.02 0.00 0.00 175.26 174.73 1l5i s TRP 113 N 1.38 0.93 0.34 1.61 -0.00 -0.84 -5.02 118.94 117.33 1l5i s TRP 113 Ca -0.03 -0.62 0.00 0.00 -0.00 0.00 0.00 56.10 55.46 1l5i s TRP 113 Cb -0.14 -0.53 0.00 0.00 -0.00 0.00 0.00 33.47 32.81 1l5i s TRP 113 CO -0.03 -0.04 0.00 0.41 -0.00 0.00 0.00 176.95 177.29 1l5i n GLY 114 N 0.86 -2.07 3.05 5.86 0.00 -1.26 -0.26 105.19 111.37 1l5i n GLY 114 Ca -0.18 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.42 1.59 0.41 2.61 2.01 -1.22 -4.62 115.64 114.00 1l5i s THR 115 Ca 0.00 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 1l5i s THR 115 Cb 0.00 -1.47 -0.11 0.00 0.01 0.00 0.00 72.50 70.94 1l5i s THR 115 CO 0.00 0.46 0.95 0.12 -0.69 0.00 0.00 174.62 175.46 1l5i s PHE 116 N 1.22 3.36 -1.16 4.92 2.19 -1.26 -4.01 117.98 123.24 1l5i s PHE 116 Ca -0.01 1.64 -0.08 0.00 0.33 0.00 0.00 56.93 58.81 1l5i s PHE 116 Cb -0.14 -2.87 0.24 0.00 -1.31 0.00 0.00 43.02 38.95 1l5i s PHE 116 CO -0.06 -0.08 1.49 1.04 1.83 0.00 0.00 175.22 179.44 1l5i n GLN 117 N -0.45 3.86 -2.70 10.12 1.13 -1.26 -5.00 117.38 123.08 1l5i n GLN 117 Ca 0.06 -4.16 -0.41 0.00 -1.94 0.00 0.00 57.00 50.55 1l5i n GLN 117 Cb 0.53 -2.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.13 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 -0.92 4.42 -0.25 5.09 -1.09 -1.26 -5.00 121.20 122.19 1l5i s ILE 118 Ca 0.35 2.01 -0.26 0.00 -2.23 0.00 0.00 60.65 60.52 1l5i s ILE 118 Cb 0.01 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1l5i s ILE 118 CO 0.02 0.31 0.92 1.51 -1.23 0.00 0.00 174.94 176.47 1l5i s ASP 119 N 0.01 6.91 0.00 3.58 -4.77 -1.26 -4.71 116.67 116.44 1l5i s ASP 119 Ca 0.47 1.12 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 1l5i s ASP 119 Cb -0.24 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1l5i s ASP 119 CO 0.30 -0.61 0.00 0.61 0.70 0.00 0.00 175.17 176.18 1l5i n GLY 120 N 3.66 -1.94 0.36 2.12 0.00 -1.26 -5.19 105.19 102.94 1l5i n GLY 120 Ca 0.08 0.58 0.14 0.00 0.00 0.00 0.00 46.02 46.82 1l5i n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86