#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfs h ILE 9 N 0.00 0.71 -0.26 -0.39 3.07 -2.05 -1.64 117.51 116.95 2dfs h ILE 9 Ca 0.00 -0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.37 2dfs h ILE 9 Cb 0.00 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 37.25 2dfs h ILE 9 CO 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 178.15 177.11 2dfs h ALA 10 N 1.71 0.35 -0.41 0.16 0.00 -2.05 0.30 119.26 119.32 2dfs h ALA 10 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2dfs h ALA 10 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dfs h ALA 10 CO -0.00 0.08 -0.04 1.49 0.00 0.00 0.00 179.25 180.77 2dfs h GLU 11 N 0.24 0.76 0.00 0.00 4.81 -1.77 -2.47 114.58 116.16 2dfs h GLU 11 Ca 0.08 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 2dfs h GLU 11 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2dfs h GLU 11 CO 0.01 0.86 -0.36 0.35 -0.73 0.00 0.00 179.01 179.14 2dfs h PHE 12 N 0.58 0.00 -0.30 0.92 3.57 -1.39 -1.31 116.94 119.02 2dfs h PHE 12 Ca 0.11 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 2dfs h PHE 12 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2dfs h PHE 12 CO 0.04 0.36 -0.23 -0.22 -2.23 0.00 0.00 178.31 176.03 2dfs h LYS 13 N 0.00 0.69 -0.46 1.11 3.64 -0.34 -2.01 116.57 119.20 2dfs h LYS 13 Ca -0.00 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 2dfs h LYS 13 Cb 0.70 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2dfs h LYS 13 CO 0.05 0.94 0.01 0.93 -2.27 0.00 0.00 179.45 179.11 2dfs h GLU 14 N 0.43 0.80 0.00 1.90 4.39 -1.22 0.11 114.58 121.00 2dfs h GLU 14 Ca 0.06 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2dfs h GLU 14 Cb 0.78 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2dfs h GLU 14 CO 0.06 0.85 0.00 0.00 -1.16 0.00 0.00 179.01 178.76 2dfs n ALA 15 N -2.42 0.00 -0.33 3.43 0.00 -0.51 -1.52 120.51 119.16 2dfs n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dfs n ALA 15 Cb 0.30 0.28 0.13 0.00 0.00 0.00 0.00 19.45 20.16 2dfs n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dfs h PHE 16 N 0.00 1.08 -0.71 0.00 3.57 -0.58 -1.50 116.94 118.80 2dfs h PHE 16 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 2dfs h PHE 16 Cb 0.00 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.34 2dfs h PHE 16 CO -0.51 0.59 0.47 1.03 -2.23 0.00 0.00 178.31 177.66 2dfs h SER 17 N 1.09 0.58 1.41 0.41 0.87 -0.68 -0.78 113.55 116.44 2dfs h SER 17 Ca 0.37 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.88 2dfs h SER 17 Cb 0.08 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2dfs h SER 17 CO -0.14 0.36 -0.61 -0.07 -0.53 0.00 0.00 176.83 175.83 2dfs h LEU 18 N 0.65 0.00 -0.14 2.23 -0.00 -0.30 -3.33 115.31 114.41 2dfs h LEU 18 Ca 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.12 2dfs h LEU 18 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2dfs h LEU 18 CO -0.11 0.25 -0.22 0.15 -0.00 0.00 0.00 178.44 178.52 2dfs h PHE 19 N 0.00 0.48 -2.00 1.13 3.04 -0.34 -3.42 116.94 115.83 2dfs h PHE 19 Ca -0.03 -0.16 -0.63 0.00 3.98 0.00 0.00 57.97 61.13 2dfs h PHE 19 Cb 1.22 -0.09 0.06 0.00 2.56 0.00 0.00 35.95 39.69 2dfs h PHE 19 CO 0.00 0.83 0.64 -3.47 -2.02 0.00 0.00 178.31 174.29 2dfs n ASP 20 N -4.48 2.43 -0.02 0.41 2.03 -0.43 -4.85 116.55 111.64 2dfs n ASP 20 Ca -0.07 1.10 -0.03 0.00 0.52 0.00 0.00 54.79 56.31 2dfs n ASP 20 Cb 0.42 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.49 2dfs n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dfs n LYS 21 N 3.02 0.08 -0.12 -0.67 4.76 -1.26 -4.65 118.16 119.32 2dfs n LYS 21 Ca 0.18 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.56 2dfs n LYS 21 Cb 0.24 -0.73 0.06 0.00 -1.84 0.00 0.00 35.03 32.76 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dfs h ASP 22 N -0.10 0.89 -0.17 4.39 3.32 -1.93 -3.48 116.42 119.34 2dfs h ASP 22 Ca -0.09 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2dfs h ASP 22 Cb 1.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2dfs h ASP 22 CO -0.04 1.05 0.00 0.61 -1.72 0.00 0.00 179.24 179.14 2dfs n GLY 23 N -0.24 1.00 0.02 2.75 0.00 -1.26 -4.99 105.19 102.47 2dfs n GLY 23 Ca 0.01 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 2dfs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dfs n ASP 24 N 1.13 0.49 0.00 1.61 4.64 -1.26 -4.93 116.55 118.24 2dfs n ASP 24 Ca 0.00 -0.04 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 2dfs n ASP 24 Cb 0.30 0.12 0.00 0.00 -1.04 0.00 0.00 41.12 40.50 2dfs n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2dfs n GLY 25 N 1.45 0.80 3.06 0.27 0.00 -1.26 -5.04 105.19 104.47 2dfs n GLY 25 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2dfs n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfs s THR 26 N -3.18 0.49 0.11 2.61 -4.23 -1.26 -4.13 115.64 106.06 2dfs s THR 26 Ca 0.00 -1.14 0.10 0.00 -1.18 0.00 0.00 61.69 59.46 2dfs s THR 26 Cb 0.00 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2dfs s THR 26 CO 0.00 -0.45 -0.24 0.27 -0.54 0.00 0.00 174.62 173.66 2dfs s ILE 27 N -1.62 2.00 0.32 2.99 -4.36 -0.09 -4.71 121.20 115.73 2dfs s ILE 27 Ca -0.09 -1.61 -0.29 0.00 -0.26 0.00 0.00 60.65 58.40 2dfs s ILE 27 Cb -0.08 -1.78 -0.12 0.00 1.25 0.00 0.00 42.46 41.73 2dfs s ILE 27 CO -0.00 0.06 1.41 0.35 0.24 0.00 0.00 174.94 177.00 2dfs n THR 28 N 1.10 1.59 0.28 8.37 -2.24 -1.26 -0.71 114.28 121.41 2dfs n THR 28 Ca -0.18 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2dfs n THR 28 Cb 0.53 -1.71 0.82 0.00 -2.10 0.00 0.00 70.33 67.87 2dfs n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dfs h THR 29 N 2.89 0.66 -0.23 4.28 1.35 -1.77 -0.49 112.91 119.59 2dfs h THR 29 Ca -0.47 -0.11 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 2dfs h THR 29 Cb 1.26 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 2dfs h THR 29 CO 0.69 0.03 0.18 0.11 -0.25 0.00 0.00 175.52 176.27 2dfs h LYS 30 N 0.00 0.00 -0.64 4.72 1.57 -1.90 -2.78 116.57 117.55 2dfs h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dfs h LYS 30 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2dfs h LYS 30 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 2dfs n GLU 31 N -4.29 4.03 -0.35 3.15 -0.58 -0.19 -4.29 120.64 118.12 2dfs n GLU 31 Ca 0.02 -2.97 -0.01 0.00 -0.42 0.00 0.00 57.16 53.78 2dfs n GLU 31 Cb 0.32 -1.99 0.12 0.00 -0.57 0.00 0.00 31.44 29.32 2dfs n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dfs h LEU 32 N 4.12 1.04 -0.18 -4.62 5.85 -1.58 -1.69 115.31 118.24 2dfs h LEU 32 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2dfs h LEU 32 Cb 1.59 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2dfs h LEU 32 CO 0.29 0.72 -0.19 1.23 -0.34 0.00 0.00 178.44 180.16 2dfs h GLY 33 N 1.22 0.50 1.47 3.75 0.00 -1.83 -2.71 103.07 105.46 2dfs h GLY 33 Ca 0.37 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2dfs h GLY 33 CO -0.11 0.46 0.15 -0.91 0.00 0.00 0.00 176.54 176.14 2dfs h THR 34 N 0.12 1.19 -0.53 4.70 1.35 -1.80 -1.97 112.91 115.95 2dfs h THR 34 Ca 0.03 -0.63 -0.07 0.00 -0.55 0.00 0.00 66.41 65.19 2dfs h THR 34 Cb 0.74 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2dfs h THR 34 CO 0.05 0.24 0.06 1.62 -0.25 0.00 0.00 175.52 177.23 2dfs h VAL 35 N 0.67 1.26 -0.61 6.82 3.04 -1.29 -3.21 116.25 122.93 2dfs h VAL 35 Ca 0.16 -1.00 -0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2dfs h VAL 35 Cb 0.19 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.30 2dfs h VAL 35 CO -0.01 0.36 0.36 0.24 -1.01 0.00 0.00 177.57 177.51 2dfs h MET 36 N 0.78 0.82 -0.97 4.17 2.86 -1.03 0.39 114.93 121.95 2dfs h MET 36 Ca 0.16 -0.08 0.23 0.00 -2.06 0.00 0.00 59.70 57.96 2dfs h MET 36 Cb 0.45 -0.17 -0.12 0.00 0.06 0.00 0.00 31.60 31.81 2dfs h MET 36 CO 0.02 0.59 0.54 0.00 1.06 0.00 0.00 176.91 179.12 2dfs h ARG 37 N 0.82 0.53 -0.02 1.72 3.08 -1.53 -2.48 114.38 116.51 2dfs h ARG 37 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2dfs h ARG 37 Cb -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2dfs h ARG 37 CO -0.04 0.35 -0.41 0.45 -1.07 0.00 0.00 179.97 179.25 2dfs n SER 38 N -4.92 2.08 -0.03 7.04 2.88 0.02 -2.05 113.62 118.65 2dfs n SER 38 Ca 0.25 -1.53 -0.13 0.00 -1.33 0.00 0.00 58.87 56.13 2dfs n SER 38 Cb 0.71 0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 64.47 2dfs n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2dfs h LEU 39 N 2.62 0.12 0.00 2.46 5.85 -1.15 -3.48 115.31 121.72 2dfs h LEU 39 Ca 0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2dfs h LEU 39 Cb 0.77 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2dfs h LEU 39 CO 0.00 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 2dfs n GLY 40 N 0.37 0.11 3.77 3.75 0.00 -0.87 -5.07 105.19 107.25 2dfs n GLY 40 Ca -0.08 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2dfs n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfs s GLN 41 N 0.00 4.12 -0.05 1.61 1.11 -0.95 -4.82 119.66 120.67 2dfs s GLN 41 Ca 0.00 2.36 0.12 0.00 0.01 0.00 0.00 55.36 57.85 2dfs s GLN 41 Cb 0.00 -2.93 0.44 0.00 -1.01 0.00 0.00 33.01 29.51 2dfs s GLN 41 CO 0.00 -0.44 1.31 0.09 0.01 0.00 0.00 175.29 176.25 2dfs n ASN 42 N 0.44 2.96 -3.38 5.90 3.02 -1.26 -3.61 115.26 119.33 2dfs n ASN 42 Ca 0.02 -2.21 -0.31 0.00 -0.03 0.00 0.00 54.58 52.04 2dfs n ASN 42 Cb 0.41 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2dfs n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2dfs n PRO 43 N 0.66 0.00 0.00 3.52 -0.02 -1.26 -4.94 135.00 132.96 2dfs n PRO 43 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2dfs n PRO 43 Cb 0.55 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 2dfs n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2dfs n THR 44 N -2.35 0.00 -0.03 3.45 -2.24 -1.26 -4.99 114.28 106.86 2dfs n THR 44 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2dfs n THR 44 Cb 0.52 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 2dfs n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dfs n GLU 45 N 0.00 0.73 -0.07 -0.78 -0.58 -1.26 -4.66 120.64 114.02 2dfs n GLU 45 Ca 0.00 -0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.49 2dfs n GLU 45 Cb 0.00 -1.44 0.01 0.00 -0.57 0.00 0.00 31.44 29.43 2dfs n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dfs h ALA 46 N 1.47 0.61 -0.97 0.62 0.00 -2.00 -3.02 119.26 115.97 2dfs h ALA 46 Ca -0.13 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.33 2dfs h ALA 46 Cb 1.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2dfs h ALA 46 CO 0.01 0.68 0.64 1.05 0.00 0.00 0.00 179.25 181.62 2dfs h GLU 47 N 0.63 1.23 -0.38 0.00 9.09 -1.95 -1.34 114.58 121.87 2dfs h GLU 47 Ca 0.04 -0.07 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 2dfs h GLU 47 Cb 1.04 -0.28 -0.02 0.00 -1.65 0.00 0.00 28.75 27.85 2dfs h GLU 47 CO 0.10 0.81 0.11 1.25 0.05 0.00 0.00 179.01 181.34 2dfs h LEU 48 N 1.27 0.56 -0.66 3.06 6.46 -1.83 0.54 115.31 124.70 2dfs h LEU 48 Ca 0.37 -0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 2dfs h LEU 48 Cb -0.07 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2dfs h LEU 48 CO -0.10 0.63 -0.19 1.56 -0.62 0.00 0.00 178.44 179.71 2dfs h GLN 49 N 0.47 0.84 -0.43 1.25 1.08 -1.36 -1.75 115.11 115.20 2dfs h GLN 49 Ca 0.12 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2dfs h GLN 49 Cb 0.27 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2dfs h GLN 49 CO -0.00 0.96 0.17 -0.44 -0.95 0.00 0.00 178.83 178.57 2dfs h ASP 50 N 0.73 0.56 -0.03 1.46 3.32 -0.90 -2.47 116.42 119.09 2dfs h ASP 50 Ca 0.11 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2dfs h ASP 50 Cb 0.72 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2dfs h ASP 50 CO 0.06 0.51 0.00 1.15 -1.72 0.00 0.00 179.24 179.23 2dfs n MET 51 N -4.37 1.61 0.19 3.56 0.00 0.15 -3.30 117.12 114.96 2dfs n MET 51 Ca 0.03 -0.88 0.12 0.00 0.00 0.00 0.00 57.70 56.97 2dfs n MET 51 Cb 0.15 -1.47 0.18 0.00 0.00 0.00 0.00 33.22 32.07 2dfs n MET 51 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2dfs h ILE 52 N 2.11 0.00 0.00 3.17 1.08 -0.83 -3.40 117.51 119.65 2dfs h ILE 52 Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 2dfs h ILE 52 Cb 0.45 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 2dfs h ILE 52 CO 0.00 0.00 0.00 -0.46 -0.69 0.00 0.00 178.15 177.00 2dfs n ASN 53 N -2.94 3.61 -4.40 1.72 0.23 -1.21 -2.81 115.26 109.47 2dfs n ASN 53 Ca 0.04 -1.93 -0.33 0.00 -0.53 0.00 0.00 54.58 51.82 2dfs n ASN 53 Cb 0.52 -0.73 -0.14 0.00 -2.08 0.00 0.00 39.78 37.35 2dfs n ASN 53 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2dfs s GLU 54 N 0.37 3.46 0.34 -3.83 2.12 -1.26 -4.99 118.70 114.91 2dfs s GLU 54 Ca 0.00 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 54.74 2dfs s GLU 54 Cb 0.00 -2.70 0.71 0.00 0.26 0.00 0.00 34.13 32.40 2dfs s GLU 54 CO 0.00 0.22 1.91 -0.24 -0.54 0.00 0.00 175.26 176.61 2dfs h VAL 55 N 5.34 0.96 0.10 3.70 3.04 -1.99 0.05 116.25 127.44 2dfs h VAL 55 Ca -0.27 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2dfs h VAL 55 Cb 1.21 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2dfs h VAL 55 CO 0.57 0.15 -0.05 0.44 -1.01 0.00 0.00 177.57 177.68 2dfs h ASP 56 N 0.81 -0.11 -0.07 3.17 5.19 -1.96 -2.77 116.42 120.69 2dfs h ASP 56 Ca 0.39 -0.30 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 2dfs h ASP 56 Cb 0.43 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2dfs h ASP 56 CO -0.16 0.25 -0.44 0.00 -3.12 0.00 0.00 179.24 175.77 2dfs h ALA 57 N 0.37 0.77 -0.96 3.45 0.00 -1.63 -1.56 119.26 119.70 2dfs h ALA 57 Ca -0.01 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2dfs h ALA 57 Cb 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2dfs h ALA 57 CO 0.02 0.66 0.63 0.22 0.00 0.00 0.00 179.25 180.78 2dfs h ASP 58 N 0.50 1.05 1.72 0.00 3.58 -0.85 -2.44 116.42 119.98 2dfs h ASP 58 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2dfs h ASP 58 Cb 0.97 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2dfs h ASP 58 CO 0.09 0.72 -0.24 1.23 -2.88 0.00 0.00 179.24 178.16 2dfs h GLY 59 N 1.22 0.00 -3.03 -0.78 0.00 -1.38 -3.47 103.07 95.62 2dfs h GLY 59 Ca 0.38 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.22 2dfs h GLY 59 CO -0.11 0.00 0.43 -1.31 0.00 0.00 0.00 176.54 175.54 2dfs s ASN 60 N -5.86 6.88 0.02 0.19 0.01 -0.60 -4.98 114.94 110.60 2dfs s ASN 60 Ca 0.06 2.10 0.18 0.00 -0.71 0.00 0.00 52.86 54.48 2dfs s ASN 60 Cb 0.07 -2.60 -0.17 0.00 0.41 0.00 0.00 41.25 38.96 2dfs s ASN 60 CO 0.69 -0.41 0.68 0.61 -1.51 0.00 0.00 177.10 177.17 2dfs n GLY 61 N 0.57 -1.16 3.13 0.66 0.00 -1.26 -4.84 105.19 102.29 2dfs n GLY 61 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2dfs n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfs s THR 62 N -2.96 0.13 -0.03 2.61 -4.23 -1.26 -2.25 115.64 107.66 2dfs s THR 62 Ca -0.04 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 2dfs s THR 62 Cb 0.09 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 2dfs s THR 62 CO 0.82 -0.61 -0.18 0.27 -0.54 0.00 0.00 174.62 174.39 2dfs s ILE 63 N -2.81 1.44 0.60 2.99 -4.36 0.11 -4.85 121.20 114.32 2dfs s ILE 63 Ca -0.03 -0.74 -0.06 0.00 -0.26 0.00 0.00 60.65 59.56 2dfs s ILE 63 Cb 0.00 -1.23 0.01 0.00 1.25 0.00 0.00 42.46 42.50 2dfs s ILE 63 CO -0.05 0.41 0.91 -0.62 0.24 0.00 0.00 174.94 175.83 2dfs s ASP 64 N -0.10 5.50 0.14 4.36 2.15 -1.26 -0.92 116.67 126.54 2dfs s ASP 64 Ca -0.01 0.67 -0.15 0.00 0.43 0.00 0.00 52.55 53.49 2dfs s ASP 64 Cb -0.10 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 2dfs s ASP 64 CO 0.01 -1.12 1.66 0.15 -0.17 0.00 0.00 175.17 175.70 2dfs h PHE 65 N -0.21 0.70 -0.68 -5.34 3.57 -2.00 -2.40 116.94 110.58 2dfs h PHE 65 Ca -0.45 -0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.09 2dfs h PHE 65 Cb 1.26 -0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.68 2dfs h PHE 65 CO 0.45 0.64 -0.36 -1.35 -2.23 0.00 0.00 178.31 175.46 2dfs h PRO 66 N 0.56 -0.13 -0.27 6.41 0.11 -1.96 -1.79 132.00 134.93 2dfs h PRO 66 Ca 0.14 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.31 2dfs h PRO 66 Cb 0.27 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 2dfs h PRO 66 CO -0.00 -0.09 -0.05 1.49 -0.21 0.00 0.00 178.00 179.14 2dfs h GLU 67 N -0.14 0.02 -0.87 1.05 4.22 -1.86 -1.42 114.58 115.58 2dfs h GLU 67 Ca 0.25 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.71 2dfs h GLU 67 Cb 0.56 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2dfs h GLU 67 CO -0.75 0.01 0.57 0.35 -2.18 0.00 0.00 179.01 177.02 2dfs h PHE 68 N 0.02 1.07 -0.87 0.92 3.57 -1.37 -0.99 116.94 119.30 2dfs h PHE 68 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2dfs h PHE 68 Cb 0.19 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 2dfs h PHE 68 CO -0.25 0.65 0.49 1.25 -2.23 0.00 0.00 178.31 178.22 2dfs h LEU 69 N 1.14 1.08 -0.57 0.59 6.46 -0.39 -0.95 115.31 122.67 2dfs h LEU 69 Ca 0.33 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2dfs h LEU 69 Cb -0.07 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.56 2dfs h LEU 69 CO -0.09 0.86 0.23 0.74 -0.62 0.00 0.00 178.44 179.55 2dfs h THR 70 N 1.21 1.22 -0.87 1.05 2.02 -0.74 -1.80 112.91 115.00 2dfs h THR 70 Ca 0.31 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2dfs h THR 70 Cb 0.01 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2dfs h THR 70 CO -0.05 0.27 0.54 0.24 0.37 0.00 0.00 175.52 176.88 2dfs h MET 71 N 0.78 1.18 -0.57 6.66 2.86 -0.59 -1.48 114.93 123.76 2dfs h MET 71 Ca 0.19 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2dfs h MET 71 Cb 0.20 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2dfs h MET 71 CO -0.02 0.81 0.27 1.98 1.06 0.00 0.00 176.91 181.02 2dfs h MET 72 N 1.20 0.83 0.03 1.72 -1.53 -1.15 -2.85 114.93 113.18 2dfs h MET 72 Ca 0.31 -0.13 -0.00 0.00 -3.44 0.00 0.00 59.70 56.45 2dfs h MET 72 Cb -0.07 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 30.83 2dfs h MET 72 CO -0.06 0.68 -0.01 0.00 0.14 0.00 0.00 176.91 177.65 2dfs h ALA 73 N 1.11 -0.04 0.00 0.39 0.00 -0.61 -1.32 119.26 118.78 2dfs h ALA 73 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dfs h ALA 73 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dfs h ALA 73 CO -0.02 -0.51 0.00 0.07 0.00 0.00 0.00 179.25 178.79 2dfs h ARG 74 N -0.06 0.00 0.00 0.00 0.11 -1.33 -2.64 114.38 110.46 2dfs h ARG 74 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dfs h ARG 74 Cb 0.05 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 2dfs h ARG 74 CO 0.01 0.00 -0.08 1.63 0.10 0.00 0.00 179.97 181.62 2dfs n LYS 75 N -2.36 1.17 -0.26 0.08 4.76 -1.08 -4.87 118.16 115.61 2dfs n LYS 75 Ca 0.03 -2.47 -0.01 0.00 -2.87 0.00 0.00 58.31 53.00 2dfs n LYS 75 Cb 0.33 -1.40 0.11 0.00 -1.84 0.00 0.00 35.03 32.23 2dfs n LYS 75 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2dfs h MET 76 N 0.06 0.78 -0.37 1.97 4.05 -0.85 -0.89 114.93 119.69 2dfs h MET 76 Ca -0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2dfs h MET 76 Cb 1.04 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 2dfs h MET 76 CO 0.00 0.52 0.22 0.87 0.23 0.00 0.00 176.91 178.75 2dfs h LYS 77 N 0.81 0.50 -0.57 0.39 1.57 -1.87 0.23 116.57 117.62 2dfs h LYS 77 Ca 0.32 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2dfs h LYS 77 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2dfs h LYS 77 CO -0.17 0.38 0.28 -0.44 -0.57 0.00 0.00 179.45 178.93 2dfs h ASP 78 N 0.48 0.74 -0.39 0.86 3.45 -1.89 -2.89 116.42 116.78 2dfs h ASP 78 Ca 0.13 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.36 2dfs h ASP 78 Cb 0.01 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 2dfs h ASP 78 CO -0.02 0.66 -0.19 0.74 -1.57 0.00 0.00 179.24 178.86 2dfs h THR 79 N 0.77 1.28 0.00 0.35 2.02 -0.70 -2.99 112.91 113.64 2dfs h THR 79 Ca 0.20 -1.32 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 2dfs h THR 79 Cb 0.11 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2dfs h THR 79 CO -0.03 0.44 -0.45 0.44 0.37 0.00 0.00 175.52 176.29 2dfs h ASP 80 N 0.61 0.00 -0.60 4.18 3.32 -1.04 -3.15 116.42 119.75 2dfs h ASP 80 Ca 0.09 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.27 2dfs h ASP 80 Cb 0.74 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2dfs h ASP 80 CO 0.06 0.45 0.41 -1.28 -1.72 0.00 0.00 179.24 177.15 2dfs h SER 81 N 0.00 0.23 1.38 6.45 0.87 -1.35 -2.10 113.55 119.03 2dfs h SER 81 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dfs h SER 81 Cb 0.89 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2dfs h SER 81 CO 0.06 0.13 0.00 -0.33 -0.53 0.00 0.00 176.83 176.16 2dfs h GLU 82 N 0.25 0.00 -0.65 2.24 4.39 -1.62 -3.02 114.58 116.16 2dfs h GLU 82 Ca 0.29 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.91 2dfs h GLU 82 Cb 0.78 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 2dfs h GLU 82 CO -0.06 0.00 0.10 -0.85 -1.16 0.00 0.00 179.01 177.04 2dfs n GLU 83 N -2.86 4.45 -0.03 2.33 0.28 -0.79 -4.28 120.64 119.74 2dfs n GLU 83 Ca 0.03 -3.07 -0.15 0.00 -0.16 0.00 0.00 57.16 53.80 2dfs n GLU 83 Cb 0.39 -2.24 -0.10 0.00 1.43 0.00 0.00 31.44 30.92 2dfs n GLU 83 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dfs h GLU 84 N 3.47 0.30 -6.76 3.44 4.22 -1.65 -3.48 114.58 114.13 2dfs h GLU 84 Ca 0.10 -0.27 -0.52 0.00 0.08 0.00 0.00 59.36 58.75 2dfs h GLU 84 Cb 2.10 0.06 0.05 0.00 0.50 0.00 0.00 28.75 31.46 2dfs h GLU 84 CO 0.58 0.93 0.68 0.96 -2.18 0.00 0.00 179.01 179.98 2dfs s ILE 85 N -3.49 2.89 0.00 2.32 -4.36 -1.26 -4.91 121.20 112.39 2dfs s ILE 85 Ca -0.14 0.78 0.00 0.00 -0.26 0.00 0.00 60.65 61.03 2dfs s ILE 85 Cb 0.03 -3.50 0.00 0.00 1.25 0.00 0.00 42.46 40.24 2dfs s ILE 85 CO 0.77 0.14 0.00 -2.11 0.24 0.00 0.00 174.94 173.98 2dfs n ARG 86 N 2.00 2.69 -3.98 0.37 1.85 -1.26 -4.91 116.66 113.40 2dfs n ARG 86 Ca 0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.57 2dfs n ARG 86 Cb 0.42 -0.77 -0.05 0.00 -1.05 0.00 0.00 32.46 31.00 2dfs n ARG 86 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2dfs s GLU 87 N -1.13 3.24 0.37 2.89 1.03 -1.26 -4.61 118.70 119.22 2dfs s GLU 87 Ca 0.00 -0.47 0.04 0.00 0.03 0.00 0.00 54.97 54.57 2dfs s GLU 87 Cb 0.00 -2.95 -0.06 0.00 -0.80 0.00 0.00 34.13 30.33 2dfs s GLU 87 CO 0.00 0.63 0.06 0.00 -1.33 0.00 0.00 175.26 174.62 2dfs s ALA 88 N -1.36 2.76 0.61 -0.84 0.00 -1.26 -5.15 121.76 116.53 2dfs s ALA 88 Ca 0.29 -1.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 2dfs s ALA 88 Cb -0.12 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 2dfs s ALA 88 CO 0.21 -0.26 0.96 -0.59 0.00 0.00 0.00 175.76 176.08 2dfs s PHE 89 N -3.14 3.36 0.07 0.00 -0.71 -1.26 -5.11 117.98 111.19 2dfs s PHE 89 Ca 0.31 0.86 -0.00 0.00 -1.04 0.00 0.00 56.93 57.06 2dfs s PHE 89 Cb 0.07 -2.78 -0.04 0.00 -1.21 0.00 0.00 43.02 39.07 2dfs s PHE 89 CO 0.15 -0.84 -0.03 1.03 -1.34 0.00 0.00 175.22 174.18 2dfs s ARG 90 N -5.09 0.71 0.10 1.99 1.81 -1.26 -5.13 118.95 112.08 2dfs s ARG 90 Ca 0.54 -1.28 -0.02 0.00 -1.72 0.00 0.00 55.73 53.26 2dfs s ARG 90 Cb -0.11 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 2dfs s ARG 90 CO 0.48 -0.10 0.05 0.08 -0.68 0.00 0.00 175.30 175.13 2dfs s VAL 91 N -3.85 0.14 0.00 3.52 1.01 -1.26 -5.00 120.40 114.96 2dfs s VAL 91 Ca 0.10 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.26 2dfs s VAL 91 Cb 0.07 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2dfs s VAL 91 CO -0.07 -0.63 0.00 0.49 0.00 0.00 0.00 175.10 174.88 2dfs n PHE 92 N -0.03 0.00 -2.08 5.22 3.72 -1.26 -5.00 117.46 118.03 2dfs n PHE 92 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 2dfs n PHE 92 Cb 0.63 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 2dfs n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2dfs s ASP 93 N 0.00 5.86 -0.02 4.37 2.15 -1.26 -4.79 116.67 122.98 2dfs s ASP 93 Ca 0.00 1.02 0.17 0.00 0.43 0.00 0.00 52.55 54.17 2dfs s ASP 93 Cb 0.00 -2.53 -0.26 0.00 -0.30 0.00 0.00 42.92 39.83 2dfs s ASP 93 CO 0.00 -1.78 0.41 0.29 -0.17 0.00 0.00 175.17 173.92 2dfs n LYS 94 N 8.51 0.60 0.02 4.34 5.02 -1.26 -4.51 118.16 130.88 2dfs n LYS 94 Ca 0.21 -0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 2dfs n LYS 94 Cb 0.48 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dfs n ASP 95 N -2.04 0.54 -0.45 4.39 9.92 -1.26 -4.98 116.55 122.67 2dfs n ASP 95 Ca -0.03 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 2dfs n ASP 95 Cb 0.44 1.09 0.00 0.00 -0.64 0.00 0.00 41.12 42.01 2dfs n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dfs n GLY 96 N 1.35 0.91 0.21 0.44 0.00 -1.26 -4.97 105.19 101.86 2dfs n GLY 96 Ca 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2dfs n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2dfs h ASN 97 N 0.00 0.31 0.00 1.61 -0.73 -1.93 -3.47 115.58 111.37 2dfs h ASN 97 Ca 0.00 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2dfs h ASN 97 Cb 0.97 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.48 2dfs h ASN 97 CO 0.00 0.67 0.00 0.61 -0.37 0.00 0.00 177.43 178.34 2dfs n GLY 98 N -0.21 0.74 3.11 1.57 0.00 -1.26 -5.08 105.19 104.06 2dfs n GLY 98 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2dfs n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfs s TYR 99 N -2.00 0.87 0.03 1.61 2.02 -1.26 -2.10 117.35 116.52 2dfs s TYR 99 Ca 0.00 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2dfs s TYR 99 Cb 0.00 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 2dfs s TYR 99 CO 0.00 -0.03 -0.05 0.96 -1.57 0.00 0.00 175.55 174.86 2dfs s ILE 100 N -1.45 0.28 0.71 2.71 -4.36 -0.46 -4.64 121.20 113.99 2dfs s ILE 100 Ca -0.06 -0.87 -0.13 0.00 -0.26 0.00 0.00 60.65 59.33 2dfs s ILE 100 Cb -0.09 -0.38 0.03 0.00 1.25 0.00 0.00 42.46 43.27 2dfs s ILE 100 CO 0.01 -0.38 1.12 -0.94 0.24 0.00 0.00 174.94 174.98 2dfs s SER 101 N -1.32 4.73 0.43 4.36 1.04 -1.26 -0.40 113.70 121.28 2dfs s SER 101 Ca -0.12 1.99 0.11 0.00 0.48 0.00 0.00 55.95 58.42 2dfs s SER 101 Cb -0.09 -2.55 0.98 0.00 0.10 0.00 0.00 66.02 64.47 2dfs s SER 101 CO -0.00 -1.89 2.04 0.00 0.98 0.00 0.00 173.24 174.37 2dfs h ALA 102 N -0.43 1.87 -0.21 5.32 0.00 -1.73 -1.76 119.26 122.32 2dfs h ALA 102 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2dfs h ALA 102 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dfs h ALA 102 CO 0.52 0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.95 2dfs h ALA 103 N 1.76 0.27 -0.72 0.00 0.00 -1.93 -1.19 119.26 117.45 2dfs h ALA 103 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dfs h ALA 103 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2dfs h ALA 103 CO -0.04 -0.18 0.34 0.93 0.00 0.00 0.00 179.25 180.30 2dfs h GLU 104 N 0.21 1.03 -0.55 0.00 5.08 -1.88 -0.68 114.58 117.80 2dfs h GLU 104 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2dfs h GLU 104 Cb 0.10 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2dfs h GLU 104 CO -0.01 0.81 0.33 1.25 -1.00 0.00 0.00 179.01 180.39 2dfs h LEU 105 N 1.00 0.67 -0.31 1.33 5.85 -1.27 -1.85 115.31 120.73 2dfs h LEU 105 Ca 0.25 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2dfs h LEU 105 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2dfs h LEU 105 CO -0.03 0.54 0.13 -0.09 -0.34 0.00 0.00 178.44 178.64 2dfs h ARG 106 N 0.74 0.47 -0.24 1.25 2.43 -1.00 -2.60 114.38 115.43 2dfs h ARG 106 Ca 0.20 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2dfs h ARG 106 Cb -0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 2dfs h ARG 106 CO -0.04 0.48 -0.07 1.25 -1.51 0.00 0.00 179.97 180.08 2dfs h HIS 107 N 0.36 -0.16 -0.71 2.20 2.76 -1.01 0.85 115.15 119.43 2dfs h HIS 107 Ca 0.10 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2dfs h HIS 107 Cb 0.18 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2dfs h HIS 107 CO -0.01 -0.12 0.17 -0.24 -1.30 0.00 0.00 177.93 176.44 2dfs h VAL 108 N -0.02 1.26 -0.32 5.26 3.04 -1.30 0.13 116.25 124.29 2dfs h VAL 108 Ca 0.12 -0.98 -0.12 0.00 -1.01 0.00 0.00 66.70 64.71 2dfs h VAL 108 Cb 0.20 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2dfs h VAL 108 CO -0.26 0.37 -0.26 0.24 -1.01 0.00 0.00 177.57 176.66 2dfs h MET 109 N 1.07 0.75 0.00 4.17 2.07 -1.20 -2.71 114.93 119.08 2dfs h MET 109 Ca 0.22 -0.37 -0.08 0.00 -2.07 0.00 0.00 59.70 57.40 2dfs h MET 109 Cb 0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 2dfs h MET 109 CO 0.00 0.99 -1.54 0.25 1.07 0.00 0.00 176.91 177.68 2dfs n THR 110 N -4.26 0.66 0.41 2.22 -2.24 0.27 -0.94 114.28 110.41 2dfs n THR 110 Ca -0.03 -0.60 0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2dfs n THR 110 Cb 0.46 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 2dfs n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2dfs n ASN 111 N -2.62 1.04 -4.57 3.42 5.15 0.44 -4.44 115.26 113.68 2dfs n ASN 111 Ca -0.07 -0.54 -0.25 0.00 -0.60 0.00 0.00 54.58 53.12 2dfs n ASN 111 Cb 0.69 1.21 -0.09 0.00 -0.53 0.00 0.00 39.78 41.05 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dfs s LEU 112 N -3.06 2.84 0.00 1.20 1.43 -1.02 -4.94 118.68 115.13 2dfs s LEU 112 Ca 0.02 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2dfs s LEU 112 Cb 0.10 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2dfs s LEU 112 CO 0.55 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.58 2dfs n GLY 113 N -0.84 3.22 0.86 -3.19 0.00 -1.26 -3.03 105.19 100.95 2dfs n GLY 113 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2dfs n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfs n GLU 114 N 14.00 0.90 0.00 1.61 1.02 -1.26 -4.96 120.64 131.95 2dfs n GLU 114 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2dfs n GLU 114 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2dfs n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dfs n LYS 115 N 0.41 0.00 -2.09 3.49 5.02 -1.17 -4.98 118.16 118.84 2dfs n LYS 115 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2dfs n LYS 115 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.39 2dfs n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dfs s LEU 116 N 0.00 3.40 0.72 -0.35 1.43 -0.12 -4.96 118.68 118.80 2dfs s LEU 116 Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2dfs s LEU 116 Cb 0.00 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.75 2dfs s LEU 116 CO 0.00 -0.78 1.08 0.42 0.23 0.00 0.00 176.35 177.30 2dfs s THR 117 N -2.91 3.69 0.20 5.49 -4.23 -1.26 -4.24 115.64 112.37 2dfs s THR 117 Ca 0.57 0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 61.52 2dfs s THR 117 Cb -0.11 -3.42 0.14 0.00 1.34 0.00 0.00 72.50 70.45 2dfs s THR 117 CO 0.44 -0.72 1.85 0.44 -0.54 0.00 0.00 174.62 176.09 2dfs h ASP 118 N -0.73 0.85 -0.88 3.99 3.32 -1.97 -2.24 116.42 118.75 2dfs h ASP 118 Ca -0.45 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.58 2dfs h ASP 118 Cb 1.24 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 2dfs h ASP 118 CO 0.61 0.65 0.58 1.05 -1.72 0.00 0.00 179.24 180.41 2dfs h GLU 119 N 0.97 1.09 -0.66 3.56 4.11 -1.98 0.33 114.58 122.01 2dfs h GLU 119 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2dfs h GLU 119 Cb -0.05 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 2dfs h GLU 119 CO -0.05 0.72 0.43 0.93 0.07 0.00 0.00 179.01 181.11 2dfs h GLU 120 N 1.13 0.87 -0.40 1.06 5.08 -1.91 -1.23 114.58 119.19 2dfs h GLU 120 Ca 0.34 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2dfs h GLU 120 Cb -0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2dfs h GLU 120 CO -0.10 0.59 0.04 0.28 -1.00 0.00 0.00 179.01 178.83 2dfs h VAL 121 N 0.89 1.25 -0.39 3.13 2.07 -0.69 -2.36 116.25 120.15 2dfs h VAL 121 Ca 0.24 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2dfs h VAL 121 Cb -0.08 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2dfs h VAL 121 CO -0.05 0.31 -0.01 0.44 0.02 0.00 0.00 177.57 178.28 2dfs h ASP 122 N 0.51 0.60 -0.36 0.57 3.32 -0.34 -0.61 116.42 120.11 2dfs h ASP 122 Ca 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dfs h ASP 122 Cb 0.41 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2dfs h ASP 122 CO 0.01 0.67 0.24 -0.08 -1.72 0.00 0.00 179.24 178.36 2dfs h GLU 123 N 0.59 0.47 -0.28 3.56 4.22 -1.23 -3.14 114.58 118.78 2dfs h GLU 123 Ca 0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 2dfs h GLU 123 Cb 0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2dfs h GLU 123 CO 0.01 0.31 0.01 1.98 -2.18 0.00 0.00 179.01 179.15 2dfs h MET 124 N 0.49 0.42 -0.05 1.92 4.05 -0.91 -2.80 114.93 118.04 2dfs h MET 124 Ca 0.13 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2dfs h MET 124 Cb -0.05 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2dfs h MET 124 CO -0.03 0.44 0.00 0.44 0.23 0.00 0.00 176.91 177.98 2dfs n ILE 125 N -4.33 0.07 0.31 1.77 -5.35 -0.28 -3.01 119.36 108.53 2dfs n ILE 125 Ca 0.01 -0.14 0.13 0.00 -0.27 0.00 0.00 62.75 62.48 2dfs n ILE 125 Cb 0.21 -0.02 0.27 0.00 -1.74 0.00 0.00 39.64 38.37 2dfs n ILE 125 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2dfs h ARG 126 N 0.99 0.00 0.00 6.28 3.08 -1.53 -3.31 114.38 119.90 2dfs h ARG 126 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dfs h ARG 126 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2dfs h ARG 126 CO 0.00 0.00 -0.76 -0.85 -1.07 0.00 0.00 179.97 177.29 2dfs n GLU 127 N -2.91 1.90 -3.77 0.04 0.28 -1.17 -5.00 120.64 110.01 2dfs n GLU 127 Ca 0.04 -0.01 -0.36 0.00 -0.16 0.00 0.00 57.16 56.67 2dfs n GLU 127 Cb 0.48 -1.23 -0.13 0.00 1.43 0.00 0.00 31.44 32.00 2dfs n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dfs s ALA 128 N -2.47 3.11 -0.08 -1.84 0.00 -1.24 -5.04 121.76 114.20 2dfs s ALA 128 Ca 0.05 -1.18 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 2dfs s ALA 128 Cb 0.11 -2.05 -0.10 0.00 0.00 0.00 0.00 23.12 21.09 2dfs s ALA 128 CO 0.63 -0.54 1.97 -0.25 0.00 0.00 0.00 175.76 177.57 2dfs n ASP 129 N 4.90 3.58 -4.04 0.00 8.00 -1.26 -4.93 116.55 122.80 2dfs n ASP 129 Ca -0.16 0.83 -0.28 0.00 0.71 0.00 0.00 54.79 55.89 2dfs n ASP 129 Cb 0.51 -1.43 -0.17 0.00 -0.02 0.00 0.00 41.12 40.01 2dfs n ASP 129 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2dfs s ILE 130 N 4.89 1.42 0.96 0.53 1.10 -1.26 -4.68 121.20 124.16 2dfs s ILE 130 Ca 0.94 -0.60 -0.16 0.00 -0.51 0.00 0.00 60.65 60.32 2dfs s ILE 130 Cb -0.58 -1.31 0.23 0.00 0.15 0.00 0.00 42.46 40.95 2dfs s ILE 130 CO 0.47 0.43 1.08 -0.90 -2.11 0.00 0.00 174.94 173.90 2dfs n ASP 131 N 4.20 -0.81 0.22 4.50 5.68 -1.05 -4.95 116.55 124.35 2dfs n ASP 131 Ca -0.19 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 52.93 2dfs n ASP 131 Cb 0.51 -0.89 0.37 0.00 -1.14 0.00 0.00 41.12 39.97 2dfs n ASP 131 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dfs h GLY 132 N -1.94 0.00 1.19 6.12 0.00 -2.01 -3.12 103.07 103.30 2dfs h GLY 132 Ca -0.37 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 2dfs h GLY 132 CO 0.25 0.00 -0.36 -0.55 0.00 0.00 0.00 176.54 175.88 2dfs h ASP 133 N 0.00 0.95 0.00 0.19 3.32 -2.06 -3.47 116.42 115.34 2dfs h ASP 133 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2dfs h ASP 133 Cb 0.86 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2dfs h ASP 133 CO 0.02 1.20 0.00 0.61 -1.72 0.00 0.00 179.24 179.36 2dfs n GLY 134 N 0.07 1.78 3.67 2.75 0.00 -1.18 -5.08 105.19 107.20 2dfs n GLY 134 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2dfs n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dfs s GLN 135 N -0.20 2.30 -0.07 1.61 0.74 -1.26 -1.94 119.66 120.83 2dfs s GLN 135 Ca 0.00 -1.47 -0.00 0.00 0.05 0.00 0.00 55.36 53.94 2dfs s GLN 135 Cb 0.00 -2.15 0.02 0.00 1.10 0.00 0.00 33.01 31.99 2dfs s GLN 135 CO 0.00 0.29 -0.03 0.08 -0.55 0.00 0.00 175.29 175.08 2dfs s VAL 136 N -2.36 0.57 -0.21 1.34 1.01 0.47 -2.53 120.40 118.69 2dfs s VAL 136 Ca 0.33 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 2dfs s VAL 136 Cb -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2dfs s VAL 136 CO 0.21 0.27 2.22 -3.20 0.00 0.00 0.00 175.10 174.60 2dfs n ASN 137 N 4.73 3.28 0.21 3.32 2.85 -1.26 -1.36 115.26 127.03 2dfs n ASN 137 Ca -0.14 0.21 0.12 0.00 -0.11 0.00 0.00 54.58 54.66 2dfs n ASN 137 Cb 0.50 -1.56 0.21 0.00 1.24 0.00 0.00 39.78 40.17 2dfs n ASN 137 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2dfs h TYR 138 N 15.03 0.00 -0.22 1.20 -0.00 -1.78 -2.06 116.97 129.14 2dfs h TYR 138 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.19 2dfs h TYR 138 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.97 2dfs h TYR 138 CO 0.94 0.00 -0.36 1.49 -0.00 0.00 0.00 178.16 180.23 2dfs h GLU 139 N 0.00 0.63 -0.48 0.10 4.81 -1.90 -1.55 114.58 116.19 2dfs h GLU 139 Ca 0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2dfs h GLU 139 Cb 0.96 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2dfs h GLU 139 CO 0.00 1.00 0.25 1.49 -0.73 0.00 0.00 179.01 181.01 2dfs h GLU 140 N 0.32 0.68 -0.88 1.92 4.57 -1.92 -2.45 114.58 116.81 2dfs h GLU 140 Ca 0.02 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2dfs h GLU 140 Cb 0.95 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2dfs h GLU 140 CO 0.08 0.55 0.55 0.35 -1.18 0.00 0.00 179.01 179.36 2dfs h PHE 141 N 0.63 1.15 -0.54 0.92 3.57 -1.37 -0.13 116.94 121.17 2dfs h PHE 141 Ca 0.17 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 141 Cb 0.08 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2dfs h PHE 141 CO -0.01 0.75 -0.06 -0.39 -2.23 0.00 0.00 178.31 176.36 2dfs h VAL 142 N 1.21 1.26 -0.51 1.41 -1.51 -1.19 -2.42 116.25 114.50 2dfs h VAL 142 Ca 0.32 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 2dfs h VAL 142 Cb -0.08 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 29.97 2dfs h VAL 142 CO -0.06 0.42 0.28 1.56 -1.23 0.00 0.00 177.57 178.54 2dfs h GLN 143 N 0.87 0.71 -0.67 5.19 4.20 -0.90 -2.70 115.11 121.81 2dfs h GLN 143 Ca 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2dfs h GLN 143 Cb 0.60 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2dfs h GLN 143 CO 0.04 0.55 0.41 0.52 -0.67 0.00 0.00 178.83 179.67 2dfs h MET 144 N 0.68 0.90 0.00 1.46 2.86 -1.03 -0.46 114.93 119.34 2dfs h MET 144 Ca 0.18 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2dfs h MET 144 Cb 0.04 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2dfs h MET 144 CO -0.03 0.63 0.00 0.00 1.06 0.00 0.00 176.91 178.58 2dfs h MET 145 N 0.90 0.00 -0.00 1.72 -0.00 -1.31 -2.87 114.93 113.37 2dfs h MET 145 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 2dfs h MET 145 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 2dfs h MET 145 CO -0.05 0.00 -0.54 0.25 -0.00 0.00 0.00 176.91 176.57 2dfs n THR 146 N -2.67 0.00 -1.87 -0.10 -2.24 -1.03 -4.96 114.28 101.41 2dfs n THR 146 Ca 0.02 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 2dfs n THR 146 Cb 0.34 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 2dfs n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfs s ALA 147 N -2.14 2.86 0.00 6.98 0.00 -0.20 -5.02 121.76 124.25 2dfs s ALA 147 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2dfs s ALA 147 Cb 0.11 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2dfs s ALA 147 CO 0.51 -2.62 0.00 1.17 0.00 0.00 0.00 175.76 174.82