#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lli n THR 2 N 0.00 -0.32 -1.90 0.44 -1.04 -1.26 -4.79 114.28 105.41 1lli n THR 2 Ca 0.00 1.54 -0.40 0.00 -2.04 0.00 0.00 64.05 63.15 1lli n THR 2 Cb 0.00 -2.50 -0.00 0.00 -1.82 0.00 0.00 70.33 66.01 1lli n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1lli s LYS 3 N -5.17 4.04 -0.06 -2.82 3.01 -1.26 -5.02 119.74 112.46 1lli s LYS 3 Ca -0.07 2.41 -0.04 0.00 -1.01 0.00 0.00 55.97 57.26 1lli s LYS 3 Cb 0.26 -2.88 0.03 0.00 -1.01 0.00 0.00 37.83 34.22 1lli s LYS 3 CO 0.59 -0.53 0.15 0.15 0.51 0.00 0.00 175.35 176.22 1lli s LYS 4 N -2.14 0.13 0.06 1.68 1.02 -1.26 -5.17 119.74 114.06 1lli s LYS 4 Ca 0.54 0.31 -0.15 0.00 0.02 0.00 0.00 55.97 56.70 1lli s LYS 4 Cb -0.43 -0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 36.75 1lli s LYS 4 CO 0.58 -0.10 0.47 0.15 -0.92 0.00 0.00 175.35 175.52 1lli s LYS 5 N 0.71 3.96 0.29 1.68 -0.14 -1.26 -5.08 119.74 119.90 1lli s LYS 5 Ca -0.05 0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 54.72 1lli s LYS 5 Cb -0.07 -3.12 -0.13 0.00 -1.68 0.00 0.00 37.83 32.83 1lli s LYS 5 CO -0.04 0.61 1.27 -0.35 -0.76 0.00 0.00 175.35 176.08 1lli n PRO 6 N 1.40 1.90 -1.54 -1.68 -0.04 -1.26 -5.02 135.00 128.76 1lli n PRO 6 Ca -0.10 0.67 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 1lli n PRO 6 Cb 0.52 -2.23 0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1lli n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lli s LEU 7 N -0.29 3.28 0.80 1.53 1.02 -1.26 -5.05 118.68 118.71 1lli s LEU 7 Ca 0.61 2.05 -0.10 0.00 0.02 0.00 0.00 54.13 56.71 1lli s LEU 7 Cb -0.63 -4.55 0.11 0.00 0.02 0.00 0.00 46.19 41.13 1lli s LEU 7 CO 0.57 -1.92 1.14 0.42 0.02 0.00 0.00 176.35 176.58 1lli s THR 8 N -2.40 2.11 0.29 5.49 -4.23 -1.26 -4.81 115.64 110.84 1lli s THR 8 Ca 0.67 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1lli s THR 8 Cb -0.22 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 70.96 1lli s THR 8 CO 0.46 0.00 1.81 1.56 -0.54 0.00 0.00 174.62 177.91 1lli h GLN 9 N -1.00 0.85 -0.11 3.99 4.20 -1.99 -0.99 115.11 120.06 1lli h GLN 9 Ca -0.44 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.03 1lli h GLN 9 Cb 1.30 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1lli h GLN 9 CO 0.55 0.57 -0.70 1.49 -0.67 0.00 0.00 178.83 180.06 1lli h GLU 10 N 0.88 0.50 -0.21 1.46 4.81 -1.99 -1.17 114.58 118.87 1lli h GLU 10 Ca 0.54 -0.39 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1lli h GLU 10 Cb 0.69 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1lli h GLU 10 CO -0.32 1.02 -0.56 1.96 -0.73 0.00 0.00 179.01 180.38 1lli h GLN 11 N 0.35 0.65 -0.40 1.92 4.20 -1.72 -1.68 115.11 118.42 1lli h GLN 11 Ca -0.03 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1lli h GLN 11 Cb 1.28 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.10 1lli h GLN 11 CO 0.13 1.03 0.16 -0.07 -0.67 0.00 0.00 178.83 179.41 1lli h LEU 12 N 0.49 0.55 -1.16 1.46 3.38 -1.06 -2.48 115.31 116.50 1lli h LEU 12 Ca 0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1lli h LEU 12 Cb 1.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1lli h LEU 12 CO 0.11 0.56 -0.12 -0.08 0.09 0.00 0.00 178.44 179.00 1lli h GLU 13 N 0.50 0.44 -0.52 1.13 4.81 -1.05 -1.08 114.58 118.80 1lli h GLU 13 Ca 0.13 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1lli h GLU 13 Cb 0.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1lli h GLU 13 CO -0.01 0.57 0.16 -0.44 -0.73 0.00 0.00 179.01 178.55 1lli h ASP 14 N 0.41 0.77 -0.55 1.04 3.32 -1.19 -0.49 116.42 119.73 1lli h ASP 14 Ca 0.08 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1lli h ASP 14 Cb 0.47 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1lli h ASP 14 CO 0.03 0.78 0.28 0.00 -1.72 0.00 0.00 179.24 178.60 1lli h ALA 15 N 1.02 0.71 -0.37 3.45 0.00 -0.96 -0.18 119.26 122.93 1lli h ALA 15 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1lli h ALA 15 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lli h ALA 15 CO -0.00 0.25 -0.01 -0.09 0.00 0.00 0.00 179.25 179.40 1lli h ARG 16 N 0.74 0.66 -0.26 0.00 1.12 -1.12 -1.35 114.38 114.17 1lli h ARG 16 Ca 0.19 -0.21 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 1lli h ARG 16 Cb 0.09 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1lli h ARG 16 CO -0.03 0.77 -0.18 0.00 -3.11 0.00 0.00 179.97 177.42 1lli h ARG 17 N 0.48 0.46 -0.12 0.20 3.08 -0.46 -2.74 114.38 115.27 1lli h ARG 17 Ca 0.10 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1lli h ARG 17 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1lli h ARG 17 CO 0.02 0.63 -0.04 1.25 -1.07 0.00 0.00 179.97 180.76 1lli h LEU 18 N 0.42 0.24 -0.36 3.04 5.85 -0.87 -2.58 115.31 121.06 1lli h LEU 18 Ca 0.07 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1lli h LEU 18 Cb 0.56 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1lli h LEU 18 CO 0.04 0.57 0.21 0.50 -0.34 0.00 0.00 178.44 179.42 1lli h LYS 19 N -0.09 0.42 -0.76 1.25 3.64 -1.22 -1.65 116.57 118.16 1lli h LYS 19 Ca 0.03 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1lli h LYS 19 Cb 0.47 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1lli h LYS 19 CO 0.01 0.28 0.26 0.00 -2.27 0.00 0.00 179.45 177.73 1lli h ALA 20 N 1.16 1.04 -0.54 5.00 0.00 -1.51 0.29 119.26 124.71 1lli h ALA 20 Ca 0.14 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1lli h ALA 20 Cb -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1lli h ALA 20 CO -0.06 -0.27 0.10 0.82 0.00 0.00 0.00 179.25 179.83 1lli h ILE 21 N 0.37 1.25 -0.54 0.00 2.04 -1.14 -0.50 117.51 118.99 1lli h ILE 21 Ca 0.43 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1lli h ILE 21 Cb 0.69 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1lli h ILE 21 CO -0.46 0.34 0.12 0.22 0.00 0.00 0.00 178.15 178.37 1lli h TYR 22 N 0.77 0.91 -0.37 1.37 3.20 -0.34 -1.13 116.97 121.38 1lli h TYR 22 Ca 0.16 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1lli h TYR 22 Cb 0.39 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1lli h TYR 22 CO 0.03 0.80 -0.00 0.93 -1.64 0.00 0.00 178.16 178.28 1lli h GLU 23 N 0.76 0.66 0.00 1.82 4.39 -0.83 0.41 114.58 121.79 1lli h GLU 23 Ca 0.17 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1lli h GLU 23 Cb 0.36 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1lli h GLU 23 CO 0.00 0.77 -0.02 0.87 -1.16 0.00 0.00 179.01 179.47 1lli h LYS 24 N 0.48 0.00 0.00 2.33 1.57 -0.74 -3.28 116.57 116.93 1lli h LYS 24 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1lli h LYS 24 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lli h LYS 24 CO 0.02 0.02 -0.13 1.63 -0.57 0.00 0.00 179.45 180.42 1lli n LYS 25 N -3.53 5.84 0.01 3.15 5.02 -0.46 -4.86 118.16 123.34 1lli n LYS 25 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1lli n LYS 25 Cb 0.12 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 1lli n LYS 25 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1lli h LYS 26 N 0.00 -0.28 0.00 1.97 2.10 -0.24 -1.27 116.57 118.86 1lli h LYS 26 Ca 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1lli h LYS 26 Cb 0.00 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1lli h LYS 26 CO 0.00 -0.18 -0.54 0.27 -2.00 0.00 0.00 179.45 176.99 1lli n ASN 27 N -5.35 0.53 0.02 7.07 6.94 -1.26 0.14 115.26 123.36 1lli n ASN 27 Ca -0.03 -0.16 -0.03 0.00 -0.02 0.00 0.00 54.58 54.34 1lli n ASN 27 Cb 0.26 0.25 0.21 0.00 -2.36 0.00 0.00 39.78 38.14 1lli n ASN 27 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1lli h GLU 28 N 0.00 0.45 -0.00 -3.83 4.81 -1.84 -3.02 114.58 111.16 1lli h GLU 28 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1lli h GLU 28 Cb 0.56 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1lli h GLU 28 CO 0.00 0.68 -0.81 1.28 -0.73 0.00 0.00 179.01 179.43 1lli n LEU 29 N -4.12 0.93 -1.66 1.64 4.77 -0.50 -5.01 117.00 113.06 1lli n LEU 29 Ca -0.00 -0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 55.54 1lli n LEU 29 Cb 0.41 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1lli n LEU 29 CO 0.42 0.22 0.05 0.61 -1.33 0.00 0.00 177.39 177.36 1lli n GLY 30 N 1.49 0.29 3.56 -0.72 0.00 0.38 -5.04 105.19 105.14 1lli n GLY 30 Ca 0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1lli n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lli s LEU 31 N -3.22 3.02 0.27 0.99 1.43 0.10 -4.98 118.68 116.29 1lli s LEU 31 Ca 0.06 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1lli s LEU 31 Cb -0.03 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1lli s LEU 31 CO 0.23 0.30 0.01 -0.94 0.23 0.00 0.00 176.35 176.18 1lli s SER 32 N -1.23 2.09 0.51 2.29 1.04 -1.26 -4.55 113.70 112.58 1lli s SER 32 Ca 0.15 -1.27 0.15 0.00 0.48 0.00 0.00 55.95 55.47 1lli s SER 32 Cb -0.11 -0.04 1.22 0.00 0.10 0.00 0.00 66.02 67.20 1lli s SER 32 CO 0.05 -0.52 2.14 1.56 0.98 0.00 0.00 173.24 177.45 1lli h GLN 33 N 2.34 0.06 0.00 4.02 4.20 -1.98 -1.51 115.11 122.24 1lli h GLN 33 Ca -0.39 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.26 1lli h GLN 33 Cb 1.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1lli h GLN 33 CO 0.66 0.04 -0.58 1.49 -0.67 0.00 0.00 178.83 179.77 1lli h GLU 34 N 0.07 0.00 -0.23 1.46 4.57 -1.94 -1.75 114.58 116.75 1lli h GLU 34 Ca 0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 1lli h GLU 34 Cb -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1lli h GLU 34 CO -0.00 0.16 -0.27 0.66 -1.18 0.00 0.00 179.01 178.38 1lli h SER 35 N 0.00 0.64 -0.31 1.04 4.64 -1.77 -2.71 113.55 115.09 1lli h SER 35 Ca -0.02 -0.49 0.05 0.00 -0.47 0.00 0.00 61.79 60.86 1lli h SER 35 Cb 1.18 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 1lli h SER 35 CO 0.02 1.01 0.02 -0.07 -0.87 0.00 0.00 176.83 176.94 1lli h LEU 36 N 0.30 -0.08 -0.52 5.97 3.38 -1.39 -0.70 115.31 122.27 1lli h LEU 36 Ca 0.03 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1lli h LEU 36 Cb 0.84 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1lli h LEU 36 CO 0.07 -0.01 0.11 0.00 0.09 0.00 0.00 178.44 178.70 1lli h ALA 37 N 1.25 0.59 -0.75 1.53 0.00 -1.29 -0.34 119.26 120.24 1lli h ALA 37 Ca 0.15 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1lli h ALA 37 Cb 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1lli h ALA 37 CO -0.23 -0.30 0.49 -0.44 0.00 0.00 0.00 179.25 178.77 1lli h ASP 38 N 0.25 0.83 -0.99 0.00 3.32 -1.14 0.18 116.42 118.87 1lli h ASP 38 Ca 0.26 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1lli h ASP 38 Cb 0.35 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1lli h ASP 38 CO -0.33 0.59 0.65 0.11 -1.72 0.00 0.00 179.24 178.54 1lli h LYS 39 N 0.98 1.25 -0.21 3.56 1.79 -0.14 -1.58 116.57 122.22 1lli h LYS 39 Ca 0.28 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1lli h LYS 39 Cb -0.07 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.30 1lli h LYS 39 CO -0.08 0.82 0.00 1.28 -1.08 0.00 0.00 179.45 180.40 1lli n LEU 40 N -4.42 1.90 -3.06 2.94 4.77 -0.23 -4.96 117.00 113.93 1lli n LEU 40 Ca 0.13 -0.81 -0.19 0.00 -0.03 0.00 0.00 56.01 55.11 1lli n LEU 40 Cb 0.07 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1lli n LEU 40 CO 0.35 0.40 0.19 0.61 -1.33 0.00 0.00 177.39 177.62 1lli n GLY 41 N 1.17 -0.28 2.76 -0.72 0.00 0.42 -5.02 105.19 103.51 1lli n GLY 41 Ca 0.16 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1lli n GLY 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1lli n MET 42 N -4.16 0.60 -2.73 1.61 0.00 0.04 -4.99 117.12 107.49 1lli n MET 42 Ca -0.02 -2.24 -0.20 0.00 0.00 0.00 0.00 57.70 55.24 1lli n MET 42 Cb 0.56 2.19 0.04 0.00 0.00 0.00 0.00 33.22 36.01 1lli n MET 42 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1lli s GLY 43 N -2.75 1.85 0.50 3.17 0.00 -1.26 -3.66 107.32 105.16 1lli s GLY 43 Ca 0.23 -1.45 0.17 0.00 0.00 0.00 0.00 44.72 43.66 1lli s GLY 43 CO 0.16 -1.17 2.08 -1.61 0.00 0.00 0.00 173.10 172.57 1lli h GLN 44 N 0.16 0.12 0.00 2.90 -0.00 -1.90 -0.86 115.11 115.52 1lli h GLN 44 Ca -0.41 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.17 1lli h GLN 44 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.74 1lli h GLN 44 CO 0.49 0.08 -0.29 0.66 0.00 0.00 0.00 178.83 179.77 1lli h SER 45 N 0.12 0.00 -0.07 -0.69 4.64 -1.94 -0.21 113.55 115.41 1lli h SER 45 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1lli h SER 45 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1lli h SER 45 CO -0.01 0.29 0.03 1.23 -0.87 0.00 0.00 176.83 177.49 1lli h GLY 46 N 1.97 0.10 1.21 -0.77 0.00 -1.53 0.13 103.07 104.18 1lli h GLY 46 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 1lli h GLY 46 CO 0.04 0.05 0.01 -2.22 0.00 0.00 0.00 176.54 174.42 1lli h ILE 47 N -0.03 1.26 -0.27 2.60 1.08 -1.42 -2.83 117.51 117.89 1lli h ILE 47 Ca 0.02 -1.08 0.04 0.00 -0.39 0.00 0.00 64.86 63.45 1lli h ILE 47 Cb 0.14 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1lli h ILE 47 CO -0.00 0.39 0.06 1.23 -0.69 0.00 0.00 178.15 179.13 1lli h GLY 48 N 1.00 0.31 1.06 5.37 0.00 -0.60 -0.66 103.07 109.55 1lli h GLY 48 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1lli h GLY 48 CO 0.02 -0.01 0.62 0.00 0.00 0.00 0.00 176.54 177.17 1lli h ALA 49 N 1.20 1.30 0.01 3.60 0.00 -0.69 -0.83 119.26 123.86 1lli h ALA 49 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lli h ALA 49 Cb 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1lli h ALA 49 CO -0.16 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.65 1lli h LEU 50 N 1.29 -0.01 -1.65 0.00 3.38 -1.22 0.17 115.31 117.28 1lli h LEU 50 Ca 0.35 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1lli h LEU 50 Cb -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1lli h LEU 50 CO -0.07 0.50 -0.19 -0.26 0.09 0.00 0.00 178.44 178.51 1lli h PHE 51 N -0.54 0.00 -0.69 1.13 -1.00 -1.01 -2.84 116.94 111.99 1lli h PHE 51 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1lli h PHE 51 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1lli h PHE 51 CO 0.10 0.19 0.00 0.09 -1.61 0.00 0.00 178.31 177.08 1lli n ASN 52 N -3.75 4.57 -1.49 2.17 3.02 -0.33 -4.45 115.26 115.00 1lli n ASN 52 Ca -0.02 -2.31 -0.12 0.00 -0.03 0.00 0.00 54.58 52.11 1lli n ASN 52 Cb 0.30 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1lli n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lli n GLY 53 N 1.34 -0.05 0.13 7.41 0.00 -1.03 -4.90 105.19 108.09 1lli n GLY 53 Ca 0.26 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1lli n GLY 53 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lli n ILE 54 N -3.98 1.56 -4.18 -0.61 5.41 0.55 -4.81 119.36 113.31 1lli n ILE 54 Ca -0.11 -0.42 -0.29 0.00 1.00 0.00 0.00 62.75 62.93 1lli n ILE 54 Cb 0.59 -1.75 -0.09 0.00 -0.71 0.00 0.00 39.64 37.68 1lli n ILE 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1lli s ASN 55 N -7.01 4.74 0.12 4.38 0.01 -0.83 -4.82 114.94 111.53 1lli s ASN 55 Ca -0.33 -0.30 -0.10 0.00 -0.71 0.00 0.00 52.86 51.42 1lli s ASN 55 Cb 0.10 -1.02 -0.06 0.00 0.41 0.00 0.00 41.25 40.67 1lli s ASN 55 CO 0.59 0.16 0.45 0.00 -1.51 0.00 0.00 177.10 176.79 1lli s ALA 56 N -1.35 3.68 0.61 0.60 0.00 -1.26 -4.35 121.76 119.70 1lli s ALA 56 Ca 0.24 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 1lli s ALA 56 Cb -0.11 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1lli s ALA 56 CO 0.17 0.55 1.19 -0.51 0.00 0.00 0.00 175.76 177.16 1lli s LEU 57 N -2.17 3.60 0.00 0.00 1.43 -1.26 -5.03 118.68 115.25 1lli s LEU 57 Ca 0.37 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 1lli s LEU 57 Cb -0.13 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1lli s LEU 57 CO 0.20 -1.66 0.02 -0.46 0.23 0.00 0.00 176.35 174.67 1lli n ASN 58 N -1.80 3.24 0.09 2.29 0.23 -1.26 -4.99 115.26 113.07 1lli n ASN 58 Ca 0.13 -3.00 -0.06 0.00 -0.53 0.00 0.00 54.58 51.12 1lli n ASN 58 Cb 0.50 0.30 0.06 0.00 -2.08 0.00 0.00 39.78 38.57 1lli n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lli h ALA 59 N 1.21 0.70 0.53 -2.53 0.00 -1.96 -1.55 119.26 115.66 1lli h ALA 59 Ca -0.38 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 53.87 1lli h ALA 59 Cb 1.15 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1lli h ALA 59 CO 0.63 0.84 -0.26 -0.92 0.00 0.00 0.00 179.25 179.54 1lli h TYR 60 N 0.12 -0.66 -0.36 0.00 3.20 -1.99 -1.88 116.97 115.40 1lli h TYR 60 Ca -0.02 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.91 1lli h TYR 60 Cb 1.30 0.22 -0.09 0.00 1.54 0.00 0.00 36.73 39.71 1lli h TYR 60 CO 0.02 -0.34 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.00 1lli h ASN 61 N -1.04 -0.96 -0.71 -2.11 2.35 -1.98 -0.41 115.58 110.72 1lli h ASN 61 Ca -0.07 0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1lli h ASN 61 Cb 0.62 0.46 -0.05 0.00 0.05 0.00 0.00 38.32 39.40 1lli h ASN 61 CO 0.12 -0.30 0.47 0.00 -1.65 0.00 0.00 177.43 176.07 1lli h ALA 62 N 0.81 1.75 -0.08 -0.83 0.00 -1.32 -0.47 119.26 119.12 1lli h ALA 62 Ca 0.17 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1lli h ALA 62 Cb 0.51 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lli h ALA 62 CO -0.49 0.13 -0.58 0.00 0.00 0.00 0.00 179.25 178.30 1lli h ALA 63 N 1.62 0.18 -0.16 0.00 0.00 -0.65 -1.83 119.26 118.42 1lli h ALA 63 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1lli h ALA 63 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lli h ALA 63 CO -0.11 0.42 0.10 -0.07 0.00 0.00 0.00 179.25 179.59 1lli h LEU 64 N 0.12 0.17 -1.06 0.00 3.38 -0.64 -2.59 115.31 114.68 1lli h LEU 64 Ca -0.05 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1lli h LEU 64 Cb 1.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1lli h LEU 64 CO 0.12 0.13 0.06 -0.07 0.09 0.00 0.00 178.44 178.76 1lli h LEU 65 N 0.21 0.68 -0.72 1.67 3.38 -1.15 -1.53 115.31 117.85 1lli h LEU 65 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1lli h LEU 65 Cb -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1lli h LEU 65 CO -0.02 0.71 0.38 0.00 0.09 0.00 0.00 178.44 179.60 1lli h ALA 66 N 1.37 0.92 0.08 1.53 0.00 -1.14 -0.37 119.26 121.66 1lli h ALA 66 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lli h ALA 66 Cb 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1lli h ALA 66 CO 0.01 0.45 -0.04 0.87 0.00 0.00 0.00 179.25 180.54 1lli h LYS 67 N 1.00 -0.10 -0.39 0.00 1.57 -1.05 0.39 116.57 117.99 1lli h LYS 67 Ca 0.25 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1lli h LYS 67 Cb 0.06 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1lli h LYS 67 CO -0.04 0.19 0.19 0.82 -0.57 0.00 0.00 179.45 180.05 1lli h ILE 68 N -0.41 0.98 -0.01 1.86 2.04 -1.08 -1.30 117.51 119.58 1lli h ILE 68 Ca -0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1lli h ILE 68 Cb 0.35 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1lli h ILE 68 CO 0.02 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1lli n LEU 69 N -4.93 0.13 -4.03 1.44 4.77 -0.17 -4.92 117.00 109.29 1lli n LEU 69 Ca 0.01 -0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 1lli n LEU 69 Cb 0.10 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1lli n LEU 69 CO 0.30 0.03 -0.25 0.29 -1.33 0.00 0.00 177.39 176.43 1lli n LYS 70 N -0.71 -1.43 -4.45 3.23 5.02 0.01 -5.01 118.16 114.81 1lli n LYS 70 Ca 0.14 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.45 1lli n LYS 70 Cb 0.09 -3.64 -0.09 0.00 -0.02 0.00 0.00 35.03 31.37 1lli n LYS 70 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1lli s VAL 71 N -3.85 0.70 0.10 -0.18 -7.23 -0.48 -5.04 120.40 104.42 1lli s VAL 71 Ca 0.23 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1lli s VAL 71 Cb -0.11 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1lli s VAL 71 CO 0.94 0.00 0.20 -0.94 -0.31 0.00 0.00 175.10 174.99 1lli s SER 72 N -3.52 6.13 0.44 4.85 1.04 -1.26 -4.33 113.70 117.04 1lli s SER 72 Ca 0.30 0.15 0.23 0.00 0.48 0.00 0.00 55.95 57.11 1lli s SER 72 Cb 0.05 -1.81 1.21 0.00 0.10 0.00 0.00 66.02 65.57 1lli s SER 72 CO 0.15 0.12 1.79 0.58 0.98 0.00 0.00 173.24 176.87 1lli h VAL 73 N 2.02 0.52 0.00 5.02 2.07 -1.92 -1.33 116.25 122.63 1lli h VAL 73 Ca -0.47 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1lli h VAL 73 Cb 1.18 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1lli h VAL 73 CO 0.71 0.05 0.00 1.05 0.02 0.00 0.00 177.57 179.40 1lli h GLU 74 N 0.29 0.00 0.00 1.57 9.09 -1.93 0.19 114.58 123.80 1lli h GLU 74 Ca 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.95 1lli h GLU 74 Cb 1.63 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.72 1lli h GLU 74 CO -0.21 0.00 -0.11 0.93 0.05 0.00 0.00 179.01 179.67 1lli h GLU 75 N 0.00 0.00 0.00 1.06 5.08 -1.64 -3.27 114.58 115.81 1lli h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lli h GLU 75 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1lli h GLU 75 CO 0.00 0.11 -0.39 1.97 -1.00 0.00 0.00 179.01 179.70 1lli n PHE 76 N -3.44 0.00 -3.02 4.33 -1.74 -0.47 -4.90 117.46 108.22 1lli n PHE 76 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.85 1lli n PHE 76 Cb 0.27 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.27 1lli n PHE 76 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1lli s SER 77 N -1.36 -1.34 0.12 5.98 0.15 0.55 -4.30 113.70 113.50 1lli s SER 77 Ca 0.00 -1.29 -0.20 0.00 0.70 0.00 0.00 55.95 55.16 1lli s SER 77 Cb 0.00 1.84 -0.06 0.00 -1.71 0.00 0.00 66.02 66.09 1lli s SER 77 CO 0.00 -0.12 1.73 -0.65 1.20 0.00 0.00 173.24 175.40 1lli h PRO 78 N 6.07 0.07 -0.49 5.44 0.11 -1.75 -1.12 132.00 140.33 1lli h PRO 78 Ca 0.06 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.26 1lli h PRO 78 Cb 1.14 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1lli h PRO 78 CO 0.07 0.05 0.34 0.66 -0.21 0.00 0.00 178.00 178.90 1lli h SER 79 N 0.08 0.23 0.77 -2.05 4.64 -1.94 0.14 113.55 115.40 1lli h SER 79 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 1lli h SER 79 Cb 0.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1lli h SER 79 CO -0.11 0.14 -1.13 0.40 -0.87 0.00 0.00 176.83 175.25 1lli h ILE 80 N 0.25 1.58 -0.59 0.95 2.04 -1.89 -1.71 117.51 118.15 1lli h ILE 80 Ca 0.23 -3.17 -0.07 0.00 1.00 0.00 0.00 64.86 62.84 1lli h ILE 80 Cb 0.57 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 1lli h ILE 80 CO -0.05 0.92 0.09 0.00 0.00 0.00 0.00 178.15 179.11 1lli h ALA 81 N 0.76 1.04 -0.18 1.87 0.00 0.06 0.49 119.26 123.29 1lli h ALA 81 Ca -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1lli h ALA 81 Cb 1.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1lli h ALA 81 CO 0.17 0.61 -0.07 -0.09 0.00 0.00 0.00 179.25 179.88 1lli h ARG 82 N 0.90 0.37 -0.96 0.00 9.65 -0.78 -0.51 114.38 123.05 1lli h ARG 82 Ca 0.18 -0.15 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 1lli h ARG 82 Cb 0.41 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.90 1lli h ARG 82 CO 0.01 0.65 0.61 1.49 2.80 0.00 0.00 179.97 185.53 1lli h GLU 83 N 0.07 1.03 -0.44 0.20 4.81 -1.15 -0.75 114.58 118.36 1lli h GLU 83 Ca 0.04 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1lli h GLU 83 Cb 0.53 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1lli h GLU 83 CO 0.02 0.68 -0.26 0.82 -0.73 0.00 0.00 179.01 179.55 1lli h ILE 84 N 1.07 1.27 -0.25 2.32 2.04 -0.52 -2.63 117.51 120.81 1lli h ILE 84 Ca 0.44 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 1lli h ILE 84 Cb 0.26 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1lli h ILE 84 CO -0.20 0.48 -0.34 0.22 0.00 0.00 0.00 178.15 178.31 1lli h TYR 85 N 0.79 0.62 -0.75 1.37 3.20 -0.42 -1.99 116.97 119.79 1lli h TYR 85 Ca 0.10 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1lli h TYR 85 Cb 0.83 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1lli h TYR 85 CO 0.05 0.80 0.36 0.93 -1.64 0.00 0.00 178.16 178.66 1lli h GLU 86 N 0.45 1.06 -0.60 1.82 5.08 -1.10 -1.97 114.58 119.33 1lli h GLU 86 Ca 0.05 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1lli h GLU 86 Cb 0.80 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1lli h GLU 86 CO 0.07 0.82 0.09 0.52 -1.00 0.00 0.00 179.01 179.50 1lli h MET 87 N 1.06 1.01 -0.32 2.33 2.86 -1.15 -2.90 114.93 117.82 1lli h MET 87 Ca 0.26 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1lli h MET 87 Cb 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1lli h MET 87 CO -0.03 0.95 0.14 -0.92 1.06 0.00 0.00 176.91 178.11 1lli h TYR 88 N 0.91 0.43 -0.01 -0.22 3.20 -1.02 -0.52 116.97 119.75 1lli h TYR 88 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1lli h TYR 88 Cb 0.44 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1lli h TYR 88 CO 0.03 0.34 0.03 0.93 -1.64 0.00 0.00 178.16 177.85 1lli h GLU 89 N 0.44 0.00 -0.01 1.82 5.08 -1.14 -1.21 114.58 119.56 1lli h GLU 89 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1lli h GLU 89 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1lli h GLU 89 CO -0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 177.75 1lli n ALA 90 N -2.14 3.06 -0.02 3.43 0.00 -0.20 -3.92 120.51 120.71 1lli n ALA 90 Ca -0.03 -0.44 0.02 0.00 0.00 0.00 0.00 53.44 52.99 1lli n ALA 90 Cb 0.10 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1lli n ALA 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1lli n VAL 91 N -0.43 0.26 1.41 0.00 0.24 -0.55 -5.15 118.33 114.10 1lli n VAL 91 Ca 0.13 -0.32 0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1lli n VAL 91 Cb 0.37 -0.11 0.45 0.00 -1.47 0.00 0.00 33.84 33.07 1lli n VAL 91 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15