#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lli n LYS 5 N 0.00 2.75 -1.42 1.64 -0.00 -1.26 -4.96 118.16 114.91 1lli n LYS 5 Ca 0.00 0.99 -0.43 0.00 -0.00 0.00 0.00 58.31 58.88 1lli n LYS 5 Cb 0.00 -2.84 -0.00 0.00 -0.00 0.00 0.00 35.03 32.19 1lli n LYS 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1lli n PRO 6 N 4.08 0.42 -1.93 -1.58 -0.02 -1.26 -5.01 135.00 129.69 1lli n PRO 6 Ca 0.16 0.15 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 1lli n PRO 6 Cb 0.35 -1.35 0.09 0.00 -0.02 0.00 0.00 33.50 32.57 1lli n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1lli s LEU 7 N 2.42 2.54 0.69 2.45 1.43 -1.26 -5.06 118.68 121.89 1lli s LEU 7 Ca 0.62 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1lli s LEU 7 Cb -0.65 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1lli s LEU 7 CO 0.59 -1.93 1.07 0.42 0.23 0.00 0.00 176.35 176.72 1lli s THR 8 N -3.57 3.82 0.41 5.49 -4.23 -1.26 -4.80 115.64 111.50 1lli s THR 8 Ca 0.63 0.64 0.10 0.00 -1.18 0.00 0.00 61.69 61.88 1lli s THR 8 Cb -0.11 -3.29 0.31 0.00 1.34 0.00 0.00 72.50 70.75 1lli s THR 8 CO 0.49 -0.72 1.98 -0.61 -0.54 0.00 0.00 174.62 175.22 1lli h GLN 9 N -0.58 0.52 -0.14 3.99 -0.00 -1.98 0.15 115.11 117.08 1lli h GLN 9 Ca -0.44 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 1lli h GLN 9 Cb 1.22 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.58 1lli h GLN 9 CO 0.56 0.35 -0.04 1.49 0.00 0.00 0.00 178.83 181.18 1lli h GLU 10 N 0.54 0.27 -0.92 1.69 4.81 -1.99 -0.71 114.58 118.27 1lli h GLU 10 Ca 0.27 -0.11 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1lli h GLU 10 Cb 0.37 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 1lli h GLU 10 CO -0.08 0.57 0.59 1.96 -0.73 0.00 0.00 179.01 181.32 1lli h GLN 11 N -0.05 0.91 0.00 1.92 4.20 -1.68 0.65 115.11 121.07 1lli h GLN 11 Ca 0.03 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1lli h GLN 11 Cb 0.48 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1lli h GLN 11 CO 0.02 0.60 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.28 1lli h LEU 12 N 0.94 0.00 -0.46 1.46 3.38 -0.42 -2.44 115.31 117.76 1lli h LEU 12 Ca 0.42 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 1lli h LEU 12 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1lli h LEU 12 CO -0.18 0.42 -0.66 -0.33 0.09 0.00 0.00 178.44 177.78 1lli h GLU 13 N 0.00 0.45 -0.57 1.13 5.08 0.65 -1.63 114.58 119.68 1lli h GLU 13 Ca -0.00 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1lli h GLU 13 Cb 0.79 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1lli h GLU 13 CO 0.06 0.95 0.03 -0.44 -1.00 0.00 0.00 179.01 178.60 1lli h ASP 14 N 0.32 0.97 -0.58 1.42 3.32 -1.20 -1.14 116.42 119.52 1lli h ASP 14 Ca -0.02 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 1lli h ASP 14 Cb 1.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1lli h ASP 14 CO 0.12 1.02 0.16 0.00 -1.72 0.00 0.00 179.24 178.81 1lli h ALA 15 N 0.98 0.77 -0.49 3.45 0.00 -1.26 0.09 119.26 122.79 1lli h ALA 15 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1lli h ALA 15 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1lli h ALA 15 CO 0.02 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.93 1lli h ARG 16 N 0.83 0.73 -0.54 0.00 3.08 -1.10 -0.47 114.38 116.92 1lli h ARG 16 Ca 0.18 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1lli h ARG 16 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1lli h ARG 16 CO -0.00 0.65 0.27 0.00 -1.07 0.00 0.00 179.97 179.82 1lli h ARG 17 N 0.65 0.77 -0.19 0.04 3.08 -1.10 -2.00 114.38 115.63 1lli h ARG 17 Ca 0.16 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1lli h ARG 17 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1lli h ARG 17 CO -0.01 0.63 0.12 1.25 -1.07 0.00 0.00 179.97 180.88 1lli h LEU 18 N 0.72 0.20 -1.16 3.04 5.85 -0.79 -2.45 115.31 120.72 1lli h LEU 18 Ca 0.19 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1lli h LEU 18 Cb 0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1lli h LEU 18 CO -0.03 0.15 -0.20 0.50 -0.34 0.00 0.00 178.44 178.52 1lli h LYS 19 N 0.24 0.34 -0.36 1.25 3.64 -1.01 -2.54 116.57 118.13 1lli h LYS 19 Ca 0.07 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1lli h LYS 19 Cb -0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1lli h LYS 19 CO -0.02 0.53 -0.17 0.00 -2.27 0.00 0.00 179.45 177.51 1lli h ALA 20 N 1.48 1.03 -0.45 5.00 0.00 -1.18 -0.93 119.26 124.22 1lli h ALA 20 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1lli h ALA 20 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1lli h ALA 20 CO 0.04 0.58 -0.02 0.82 0.00 0.00 0.00 179.25 180.67 1lli h ILE 21 N 0.59 1.26 -0.12 0.00 2.04 -1.15 -1.19 117.51 118.95 1lli h ILE 21 Ca 0.09 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1lli h ILE 21 Cb 0.63 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1lli h ILE 21 CO 0.04 0.37 0.07 0.22 0.00 0.00 0.00 178.15 178.86 1lli h TYR 22 N 0.65 0.14 -0.75 1.37 3.20 -1.03 -0.51 116.97 120.04 1lli h TYR 22 Ca 0.12 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1lli h TYR 22 Cb 0.53 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1lli h TYR 22 CO 0.04 0.09 0.48 0.93 -1.64 0.00 0.00 178.16 178.06 1lli h GLU 23 N 0.15 0.93 -0.17 1.82 4.39 -1.05 0.20 114.58 120.86 1lli h GLU 23 Ca 0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1lli h GLU 23 Cb -0.01 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1lli h GLU 23 CO -0.02 0.61 -0.14 0.87 -1.16 0.00 0.00 179.01 179.17 1lli h LYS 24 N 0.95 0.27 -0.01 2.33 1.57 -0.90 -3.31 116.57 117.48 1lli h LYS 24 Ca 0.29 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1lli h LYS 24 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1lli h LYS 24 CO -0.09 0.42 -0.19 1.63 -0.57 0.00 0.00 179.45 180.65 1lli n LYS 25 N -4.25 1.59 -0.20 3.15 5.02 -0.23 -4.64 118.16 118.60 1lli n LYS 25 Ca -0.01 -0.90 -0.03 0.00 -2.02 0.00 0.00 58.31 55.35 1lli n LYS 25 Cb 0.29 -1.21 0.16 0.00 -0.02 0.00 0.00 35.03 34.24 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 1.86 0.98 0.04 1.97 2.10 -0.70 -0.84 116.57 121.98 1lli h LYS 26 Ca 0.00 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1lli h LYS 26 Cb 0.49 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1lli h LYS 26 CO 0.00 0.81 -0.02 -0.91 -2.00 0.00 0.00 179.45 177.33 1lli h ASN 27 N 0.95 -0.05 -0.93 7.07 -0.26 -1.84 0.72 115.58 121.25 1lli h ASN 27 Ca 0.22 -0.62 0.15 0.00 -0.56 0.00 0.00 56.30 55.48 1lli h ASN 27 Cb 0.22 0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 37.41 1lli h ASN 27 CO -0.02 0.66 0.59 1.05 -1.06 0.00 0.00 177.43 178.66 1lli h GLU 28 N -0.84 0.73 -0.02 0.81 4.11 -1.83 -0.82 114.58 116.71 1lli h GLU 28 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1lli h GLU 28 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1lli h GLU 28 CO 0.01 0.48 0.00 1.28 0.07 0.00 0.00 179.01 180.85 1lli n LEU 29 N -4.59 1.71 -3.35 3.06 4.77 -0.33 -4.96 117.00 113.31 1lli n LEU 29 Ca 0.18 -0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 55.38 1lli n LEU 29 Cb 0.46 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1lli n LEU 29 CO 0.28 0.29 0.21 0.61 -1.33 0.00 0.00 177.39 177.45 1lli n GLY 30 N 1.20 -0.42 3.91 -0.72 0.00 -0.04 -5.00 105.19 104.11 1lli n GLY 30 Ca 0.18 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.72 3.96 0.26 0.99 1.43 0.04 -5.04 118.68 113.60 1lli s LEU 31 Ca 0.47 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1lli s LEU 31 Cb -0.21 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1lli s LEU 31 CO 0.67 -0.19 0.43 -0.94 0.23 0.00 0.00 176.35 176.55 1lli s SER 32 N -3.98 0.13 0.23 2.29 1.04 -1.26 -4.79 113.70 107.36 1lli s SER 32 Ca 0.37 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 1lli s SER 32 Cb -0.08 0.57 0.23 0.00 0.10 0.00 0.00 66.02 66.84 1lli s SER 32 CO 0.28 -1.13 1.89 1.56 0.98 0.00 0.00 173.24 176.81 1lli h GLN 33 N 2.28 1.08 -0.54 4.02 4.20 -1.99 -2.46 115.11 121.70 1lli h GLN 33 Ca -0.28 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 1lli h GLN 33 Cb 1.25 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1lli h GLN 33 CO 0.39 0.71 0.03 1.49 -0.67 0.00 0.00 178.83 180.78 1lli h GLU 34 N 1.11 0.91 -0.30 1.46 4.22 -1.94 -0.55 114.58 119.49 1lli h GLU 34 Ca 0.33 -0.25 -0.14 0.00 0.08 0.00 0.00 59.36 59.38 1lli h GLU 34 Cb -0.06 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1lli h GLU 34 CO -0.09 0.88 -0.35 0.66 -2.18 0.00 0.00 179.01 177.93 1lli h SER 35 N 0.84 0.82 -0.78 1.04 4.64 -1.92 -1.68 113.55 116.52 1lli h SER 35 Ca 0.16 -0.49 0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1lli h SER 35 Cb 0.46 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1lli h SER 35 CO 0.02 1.14 0.48 -0.07 -0.87 0.00 0.00 176.83 177.53 1lli h LEU 36 N 0.52 0.76 -0.21 5.97 3.38 -1.47 -1.48 115.31 122.77 1lli h LEU 36 Ca 0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1lli h LEU 36 Cb 0.93 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1lli h LEU 36 CO 0.08 0.50 -0.26 0.00 0.09 0.00 0.00 178.44 178.85 1lli h ALA 37 N 1.36 -0.20 -0.20 1.53 0.00 -0.83 -2.15 119.26 118.77 1lli h ALA 37 Ca 0.33 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1lli h ALA 37 Cb 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1lli h ALA 37 CO -0.15 -0.71 0.02 -0.44 0.00 0.00 0.00 179.25 177.97 1lli h ASP 38 N -0.29 -0.03 0.02 0.00 3.32 -0.82 0.11 116.42 118.73 1lli h ASP 38 Ca 0.12 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1lli h ASP 38 Cb 0.48 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1lli h ASP 38 CO -0.38 0.01 -0.01 0.11 -1.72 0.00 0.00 179.24 177.25 1lli h LYS 39 N 0.09 0.00 -0.73 3.56 1.57 -0.98 0.73 116.57 120.81 1lli h LYS 39 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1lli h LYS 39 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1lli h LYS 39 CO -0.14 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.03 1lli n LEU 40 N -4.15 3.91 -3.65 2.94 4.77 -0.82 -4.94 117.00 115.05 1lli n LEU 40 Ca -0.03 -1.95 -0.26 0.00 -0.03 0.00 0.00 56.01 53.75 1lli n LEU 40 Cb 0.09 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1lli n LEU 40 CO 0.31 0.97 0.19 0.61 -1.33 0.00 0.00 177.39 178.14 1lli n GLY 41 N 1.66 -0.53 3.50 -0.72 0.00 0.25 -4.98 105.19 104.37 1lli n GLY 41 Ca 0.24 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 1lli n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lli s MET 42 N -6.36 1.88 0.38 1.61 0.00 -0.08 -5.00 119.30 111.74 1lli s MET 42 Ca 0.59 -2.14 0.04 0.00 0.00 0.00 0.00 55.69 54.19 1lli s MET 42 Cb -0.27 -0.61 -0.01 0.00 0.00 0.00 0.00 34.83 33.94 1lli s MET 42 CO 0.73 -0.45 0.55 0.20 0.00 0.00 0.00 175.02 176.05 1lli s GLY 43 N -3.58 1.58 0.27 2.11 0.00 -1.26 -3.81 107.32 102.62 1lli s GLY 43 Ca 0.26 -1.30 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 1lli s GLY 43 CO 0.15 -1.18 1.94 -1.61 0.00 0.00 0.00 173.10 172.39 1lli h GLN 44 N 0.70 1.25 0.00 2.90 -0.00 -1.89 -1.29 115.11 116.78 1lli h GLN 44 Ca -0.46 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.65 58.06 1lli h GLN 44 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 27.48 28.45 1lli h GLN 44 CO 0.55 0.83 -0.24 0.66 0.00 0.00 0.00 178.83 180.62 1lli h SER 45 N 1.29 0.00 -0.46 -0.69 4.64 -1.95 -0.88 113.55 115.50 1lli h SER 45 Ca 0.35 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.62 1lli h SER 45 Cb -0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1lli h SER 45 CO -0.08 0.24 0.08 1.23 -0.87 0.00 0.00 176.83 177.43 1lli h GLY 46 N 1.64 0.82 0.91 -0.77 0.00 -1.64 -1.94 103.07 102.09 1lli h GLY 46 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1lli h GLY 46 CO 0.03 0.50 -0.13 -2.22 0.00 0.00 0.00 176.54 174.72 1lli h ILE 47 N 0.63 1.29 -0.94 2.60 1.08 -0.90 -2.92 117.51 118.36 1lli h ILE 47 Ca 0.14 -1.22 0.05 0.00 -0.39 0.00 0.00 64.86 63.44 1lli h ILE 47 Cb 0.38 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.51 1lli h ILE 47 CO 0.01 0.39 0.60 1.23 -0.69 0.00 0.00 178.15 179.69 1lli h GLY 48 N 0.38 1.40 1.02 5.37 0.00 -1.08 -0.15 103.07 110.01 1lli h GLY 48 Ca 0.07 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1lli h GLY 48 CO 0.04 0.34 0.58 0.00 0.00 0.00 0.00 176.54 177.50 1lli h ALA 49 N 1.41 1.19 -0.00 3.60 0.00 -1.32 0.23 119.26 124.37 1lli h ALA 49 Ca 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1lli h ALA 49 Cb 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1lli h ALA 49 CO -0.15 0.63 -0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1lli h LEU 50 N 1.28 0.00 -1.66 0.00 3.38 -1.16 -1.12 115.31 116.03 1lli h LEU 50 Ca 0.34 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1lli h LEU 50 Cb -0.08 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1lli h LEU 50 CO -0.07 0.42 0.26 -0.26 0.09 0.00 0.00 178.44 178.88 1lli h PHE 51 N -0.41 0.44 -0.50 1.13 0.04 -0.71 -2.48 116.94 114.44 1lli h PHE 51 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1lli h PHE 51 Cb 0.42 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1lli h PHE 51 CO 0.07 0.27 0.00 0.09 -0.60 0.00 0.00 178.31 178.14 1lli n ASN 52 N -4.48 4.36 -2.68 2.17 3.02 0.77 -4.48 115.26 113.94 1lli n ASN 52 Ca 0.03 -2.54 -0.20 0.00 -0.03 0.00 0.00 54.58 51.84 1lli n ASN 52 Cb 0.11 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 38.73 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 0.76 -0.40 0.16 7.41 0.00 -0.93 -4.89 105.19 107.30 1lli n GLY 53 Ca 0.22 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.36 1.48 -4.43 -0.61 2.08 -0.46 -4.66 119.36 108.40 1lli n ILE 54 Ca -0.11 -0.40 -0.32 0.00 0.56 0.00 0.00 62.75 62.48 1lli n ILE 54 Cb 0.61 -1.81 -0.10 0.00 -0.75 0.00 0.00 39.64 37.59 1lli n ILE 54 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1lli s ASN 55 N -7.31 4.63 0.36 4.38 0.01 -1.01 -4.83 114.94 111.17 1lli s ASN 55 Ca -0.37 -0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 51.36 1lli s ASN 55 Cb 0.14 -1.07 -0.09 0.00 0.41 0.00 0.00 41.25 40.64 1lli s ASN 55 CO 0.49 0.27 1.01 0.00 -1.51 0.00 0.00 177.10 177.36 1lli s ALA 56 N -1.02 3.17 0.41 0.60 0.00 -1.26 -4.39 121.76 119.27 1lli s ALA 56 Ca 0.18 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 1lli s ALA 56 Cb -0.11 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1lli s ALA 56 CO 0.08 -0.05 1.05 -0.51 0.00 0.00 0.00 175.76 176.33 1lli s LEU 57 N -2.30 4.10 0.41 0.00 1.43 -1.26 -5.00 118.68 116.06 1lli s LEU 57 Ca 0.54 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1lli s LEU 57 Cb -0.22 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 1lli s LEU 57 CO 0.27 -0.54 0.02 0.54 0.23 0.00 0.00 176.35 176.88 1lli s ASN 58 N -1.62 3.56 0.38 2.29 2.20 -1.26 -5.00 114.94 115.49 1lli s ASN 58 Ca 0.59 -1.44 0.05 0.00 -0.94 0.00 0.00 52.86 51.13 1lli s ASN 58 Cb -0.21 -0.13 0.77 0.00 -2.00 0.00 0.00 41.25 39.67 1lli s ASN 58 CO 0.27 -0.58 2.02 0.00 -2.94 0.00 0.00 177.10 175.87 1lli h ALA 59 N 1.77 1.62 0.02 3.54 0.00 -1.98 -1.32 119.26 122.90 1lli h ALA 59 Ca -0.43 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1lli h ALA 59 Cb 1.26 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1lli h ALA 59 CO 0.76 0.33 -0.46 -0.92 0.00 0.00 0.00 179.25 178.97 1lli h TYR 60 N 0.62 0.43 -0.06 0.00 3.20 -1.98 -1.70 116.97 117.47 1lli h TYR 60 Ca 0.16 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1lli h TYR 60 Cb -0.01 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1lli h TYR 60 CO 0.00 1.08 0.03 -0.91 -1.64 0.00 0.00 178.16 176.72 1lli h ASN 61 N -0.35 0.08 -0.55 -2.11 2.35 -1.98 -1.11 115.58 111.91 1lli h ASN 61 Ca -0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1lli h ASN 61 Cb 1.22 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 1lli h ASN 61 CO 0.09 0.15 0.36 0.00 -1.65 0.00 0.00 177.43 176.38 1lli h ALA 62 N 0.93 0.69 -0.62 -0.83 0.00 -1.29 -0.55 119.26 117.59 1lli h ALA 62 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lli h ALA 62 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1lli h ALA 62 CO -0.00 0.14 0.39 0.00 0.00 0.00 0.00 179.25 179.78 1lli h ALA 63 N 1.20 0.79 -0.39 0.00 0.00 -1.20 0.27 119.26 119.93 1lli h ALA 63 Ca 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1lli h ALA 63 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1lli h ALA 63 CO -0.04 0.24 0.09 -0.07 0.00 0.00 0.00 179.25 179.47 1lli h LEU 64 N 0.84 0.60 -0.96 0.00 3.38 -1.05 -2.05 115.31 116.07 1lli h LEU 64 Ca 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1lli h LEU 64 Cb -0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1lli h LEU 64 CO -0.05 0.68 0.27 -0.07 0.09 0.00 0.00 178.44 179.36 1lli h LEU 65 N 0.49 0.94 -0.55 1.67 3.38 -0.89 -1.92 115.31 118.43 1lli h LEU 65 Ca 0.12 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1lli h LEU 65 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1lli h LEU 65 CO 0.00 0.84 -0.00 0.00 0.09 0.00 0.00 178.44 179.37 1lli h ALA 66 N 1.29 0.74 -0.41 1.53 0.00 -0.82 -1.52 119.26 120.07 1lli h ALA 66 Ca 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1lli h ALA 66 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1lli h ALA 66 CO -0.02 0.57 0.24 0.87 0.00 0.00 0.00 179.25 180.91 1lli h LYS 67 N 0.85 0.56 -0.50 0.00 1.57 -1.26 -0.76 116.57 117.03 1lli h LYS 67 Ca 0.15 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1lli h LYS 67 Cb 0.54 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1lli h LYS 67 CO 0.03 0.42 -0.04 0.82 -0.57 0.00 0.00 179.45 180.11 1lli h ILE 68 N 0.54 1.25 -0.01 1.86 2.04 -0.94 -2.92 117.51 119.33 1lli h ILE 68 Ca 0.15 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1lli h ILE 68 Cb 0.01 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1lli h ILE 68 CO -0.03 0.39 -0.20 0.18 0.00 0.00 0.00 178.15 178.49 1lli n LEU 69 N -4.19 0.75 -2.04 1.44 4.77 -0.61 -4.94 117.00 112.17 1lli n LEU 69 Ca 0.02 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1lli n LEU 69 Cb 0.33 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1lli n LEU 69 CO 0.43 0.14 0.06 0.29 -1.33 0.00 0.00 177.39 176.98 1lli n LYS 70 N -0.83 -3.61 -4.41 3.23 4.76 -0.41 -5.01 118.16 111.88 1lli n LYS 70 Ca 0.13 0.51 -0.20 0.00 -2.87 0.00 0.00 58.31 55.88 1lli n LYS 70 Cb 0.32 -4.55 -0.10 0.00 -1.84 0.00 0.00 35.03 28.85 1lli n LYS 70 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1lli s VAL 71 N -3.02 0.94 0.37 -0.18 -7.23 -0.52 -5.05 120.40 105.71 1lli s VAL 71 Ca 0.25 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 1lli s VAL 71 Cb -0.11 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.04 1lli s VAL 71 CO 0.30 0.00 0.74 -0.55 -0.31 0.00 0.00 175.10 175.29 1lli s SER 72 N -3.43 6.59 0.27 4.85 0.15 -1.26 -4.31 113.70 116.56 1lli s SER 72 Ca 0.36 1.15 -0.03 0.00 0.70 0.00 0.00 55.95 58.13 1lli s SER 72 Cb 0.08 -2.33 0.37 0.00 -1.71 0.00 0.00 66.02 62.44 1lli s SER 72 CO 0.15 -0.33 1.93 0.58 1.20 0.00 0.00 173.24 176.77 1lli h VAL 73 N 1.36 1.18 0.00 4.45 2.07 -1.91 -1.11 116.25 122.30 1lli h VAL 73 Ca -0.47 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1lli h VAL 73 Cb 1.18 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1lli h VAL 73 CO 0.64 0.22 0.02 -1.84 0.02 0.00 0.00 177.57 176.64 1lli n GLU 74 N -4.43 0.10 0.16 1.57 0.28 -1.26 -0.23 120.64 116.83 1lli n GLU 74 Ca 0.12 0.59 0.03 0.00 -0.16 0.00 0.00 57.16 57.75 1lli n GLU 74 Cb 0.08 -1.85 0.16 0.00 1.43 0.00 0.00 31.44 31.26 1lli n GLU 74 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1lli h GLU 75 N 0.00 0.00 0.00 3.44 5.08 -1.59 -3.30 114.58 118.22 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 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1lli h GLU 75 CO 0.00 0.48 -0.76 1.97 -1.00 0.00 0.00 179.01 179.70 1lli n PHE 76 N -3.38 0.00 -3.30 4.33 -1.74 -0.41 -4.89 117.46 108.07 1lli n PHE 76 Ca 0.01 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.69 1lli n PHE 76 Cb 0.65 -0.04 -0.08 0.00 1.52 0.00 0.00 39.48 41.53 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 -1.92 1.17 0.34 5.98 0.15 0.68 -4.30 113.70 115.81 1lli s SER 77 Ca -0.00 -2.31 0.09 0.00 0.70 0.00 0.00 55.95 54.42 1lli s SER 77 Cb 0.02 0.19 0.82 0.00 -1.71 0.00 0.00 66.02 65.34 1lli s SER 77 CO 0.10 -0.20 1.83 -0.65 1.20 0.00 0.00 173.24 175.52 1lli h PRO 78 N 6.17 0.68 -0.24 5.44 0.11 -1.76 -1.42 132.00 140.97 1lli h PRO 78 Ca 0.14 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 1lli h PRO 78 Cb 0.99 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1lli h PRO 78 CO 0.25 0.45 -0.61 0.66 -0.21 0.00 0.00 178.00 178.54 1lli h SER 79 N 0.70 0.96 -0.06 -2.05 4.64 -1.94 -0.41 113.55 115.38 1lli h SER 79 Ca 0.51 -0.56 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1lli h SER 79 Cb 0.86 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1lli h SER 79 CO -0.27 1.35 -0.42 0.40 -0.87 0.00 0.00 176.83 177.02 1lli h ILE 80 N 0.61 1.30 -0.27 0.95 2.04 -1.88 -0.95 117.51 119.30 1lli h ILE 80 Ca -0.01 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1lli h ILE 80 Cb 1.22 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1lli h ILE 80 CO 0.13 0.51 0.01 0.00 0.00 0.00 0.00 178.15 178.80 1lli h ALA 81 N 1.05 1.51 -0.55 1.87 0.00 -1.16 0.73 119.26 122.71 1lli h ALA 81 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1lli h ALA 81 Cb 0.93 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1lli h ALA 81 CO 0.08 0.35 0.14 -0.09 0.00 0.00 0.00 179.25 179.74 1lli h ARG 82 N 0.40 0.87 -0.09 0.00 2.43 -0.11 -1.50 114.38 116.38 1lli h ARG 82 Ca 0.09 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1lli h ARG 82 Cb 0.25 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1lli h ARG 82 CO 0.01 0.81 0.02 1.49 -1.51 0.00 0.00 179.97 180.79 1lli h GLU 83 N 0.77 0.14 -0.88 0.20 4.81 -0.63 -0.96 114.58 118.04 1lli h GLU 83 Ca 0.17 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1lli h GLU 83 Cb 0.33 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1lli h GLU 83 CO 0.00 0.35 0.58 0.82 -0.73 0.00 0.00 179.01 180.02 1lli h ILE 84 N -0.09 1.15 -0.45 2.32 2.04 -0.75 -1.89 117.51 119.85 1lli h ILE 84 Ca 0.03 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 65.38 1lli h ILE 84 Cb 0.27 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1lli h ILE 84 CO 0.00 0.20 -0.21 0.22 0.00 0.00 0.00 178.15 178.36 1lli h TYR 85 N 1.10 1.07 -0.46 1.37 3.20 -1.00 -2.76 116.97 119.49 1lli h TYR 85 Ca 0.35 -0.26 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1lli h TYR 85 Cb 0.02 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 1lli h TYR 85 CO -0.00 1.07 0.23 0.93 -1.64 0.00 0.00 178.16 178.74 1lli h GLU 86 N 0.77 0.44 -0.40 1.82 4.39 -0.43 -2.47 114.58 118.70 1lli h GLU 86 Ca 0.10 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1lli h GLU 86 Cb 0.78 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1lli h GLU 86 CO 0.06 0.29 0.23 0.52 -1.16 0.00 0.00 179.01 178.96 1lli h MET 87 N 0.45 0.53 0.00 2.33 2.86 -1.38 -0.72 114.93 118.99 1lli h MET 87 Ca 0.20 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1lli h MET 87 Cb 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1lli h MET 87 CO -0.14 0.38 -0.41 -0.92 1.06 0.00 0.00 176.91 176.87 1lli h TYR 88 N 0.54 0.00 -0.09 -0.22 3.20 -1.15 -0.98 116.97 118.26 1lli h TYR 88 Ca 0.14 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1lli h TYR 88 Cb -0.01 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1lli h TYR 88 CO 0.00 0.41 0.12 0.93 -1.64 0.00 0.00 178.16 177.98 1lli h GLU 89 N 0.00 0.00 -0.01 1.82 5.08 -0.69 0.60 114.58 121.39 1lli h GLU 89 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lli h GLU 89 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1lli h GLU 89 CO 0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.85 1lli n ALA 90 N -2.26 2.97 -0.07 3.43 0.00 -0.37 -3.91 120.51 120.30 1lli n ALA 90 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 1lli n ALA 90 Cb 0.22 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.81 0.81 -0.46 0.00 0.24 -0.68 -5.15 118.33 112.28 1lli n VAL 91 Ca 0.13 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1lli n VAL 91 Cb 0.32 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 1lli n VAL 91 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45