#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 0.84 0.04 -0.39 3.07 -2.05 -2.04 117.51 116.98 2dfs h ILE 9 Ca 0.00 -0.16 -0.00 0.00 1.55 0.00 0.00 64.86 66.25 2dfs h ILE 9 Cb 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 36.89 2dfs h ILE 9 CO 0.00 0.08 -0.02 0.00 -1.05 0.00 0.00 178.15 177.17 2dfs h ALA 10 N 1.65 -0.05 -0.74 0.16 0.00 -2.05 0.27 119.26 118.49 2dfs h ALA 10 Ca 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2dfs h ALA 10 Cb 0.73 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2dfs h ALA 10 CO -0.11 -0.47 0.32 1.49 0.00 0.00 0.00 179.25 180.47 2dfs h GLU 11 N -0.16 1.09 -0.28 0.00 4.81 -1.84 -1.86 114.58 116.34 2dfs h GLU 11 Ca -0.01 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 2dfs h GLU 11 Cb 0.15 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2dfs h GLU 11 CO 0.01 0.88 -0.15 0.35 -0.73 0.00 0.00 179.01 179.37 2dfs h PHE 12 N 1.05 0.53 -0.26 0.92 3.57 -1.37 -1.86 116.94 119.52 2dfs h PHE 12 Ca 0.25 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 12 Cb 0.18 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2dfs h PHE 12 CO 0.01 0.62 -0.22 -0.22 -2.23 0.00 0.00 178.31 176.28 2dfs h LYS 13 N 0.45 0.60 -0.74 1.11 3.64 -0.03 -0.69 116.57 120.90 2dfs h LYS 13 Ca 0.08 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2dfs h LYS 13 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2dfs h LYS 13 CO 0.03 0.89 0.46 0.93 -2.27 0.00 0.00 179.45 179.50 2dfs h GLU 14 N 0.32 1.00 -0.31 1.90 4.39 -1.36 0.73 114.58 121.26 2dfs h GLU 14 Ca 0.04 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2dfs h GLU 14 Cb 0.77 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 2dfs h GLU 14 CO 0.06 0.70 -0.46 0.00 -1.16 0.00 0.00 179.01 178.15 2dfs h ALA 15 N 1.24 -0.57 -0.79 3.43 0.00 -1.33 -1.55 119.26 119.70 2dfs h ALA 15 Ca 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dfs h ALA 15 Cb -0.05 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2dfs h ALA 15 CO -0.05 -0.93 0.47 0.35 0.00 0.00 0.00 179.25 179.08 2dfs h PHE 16 N -0.41 1.04 -0.72 0.00 3.57 -0.49 -1.94 116.94 117.99 2dfs h PHE 16 Ca 0.10 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2dfs h PHE 16 Cb 0.61 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2dfs h PHE 16 CO -0.60 0.70 0.48 1.03 -2.23 0.00 0.00 178.31 177.69 2dfs h SER 17 N 1.08 0.70 1.49 0.41 0.87 -0.70 -0.64 113.55 116.76 2dfs h SER 17 Ca 0.28 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 2dfs h SER 17 Cb -0.03 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2dfs h SER 17 CO -0.05 0.47 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.13 2dfs h LEU 18 N 0.80 0.00 -0.26 2.23 -0.00 -0.89 -3.31 115.31 113.89 2dfs h LEU 18 Ca 0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.10 2dfs h LEU 18 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2dfs h LEU 18 CO -0.10 0.47 -0.15 0.15 -0.00 0.00 0.00 178.44 178.81 2dfs h PHE 19 N 0.00 0.66 -2.42 1.13 3.04 -0.40 -3.42 116.94 115.53 2dfs h PHE 19 Ca -0.01 -0.17 -0.59 0.00 3.98 0.00 0.00 57.97 61.17 2dfs h PHE 19 Cb 1.37 -0.15 0.07 0.00 2.56 0.00 0.00 35.95 39.80 2dfs h PHE 19 CO 0.00 0.84 0.66 -3.47 -2.02 0.00 0.00 178.31 174.32 2dfs n ASP 20 N -4.43 2.76 -0.01 0.41 2.03 -0.43 -4.86 116.55 112.01 2dfs n ASP 20 Ca -0.04 1.12 -0.02 0.00 0.52 0.00 0.00 54.79 56.36 2dfs n ASP 20 Cb 0.38 -1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 39.36 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 2.59 0.05 -0.09 -0.67 4.76 -1.26 -4.66 118.16 118.88 2dfs n LYS 21 Ca 0.14 0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2dfs n LYS 21 Cb 0.29 -0.70 0.08 0.00 -1.84 0.00 0.00 35.03 32.87 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 -0.07 0.81 0.00 4.39 3.32 -1.93 -3.48 116.42 119.46 2dfs h ASP 22 Ca -0.06 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2dfs h ASP 22 Cb 1.06 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2dfs h ASP 22 CO -0.03 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 2dfs n GLY 23 N -0.24 0.94 0.20 2.75 0.00 -1.26 -4.99 105.19 102.59 2dfs n GLY 23 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.54 2dfs n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dfs h ASP 24 N 0.00 0.00 0.00 1.61 1.82 -1.96 -3.47 116.42 114.43 2dfs h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2dfs h ASP 24 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 2dfs h ASP 24 CO 0.00 0.18 0.00 0.61 -1.61 0.00 0.00 179.24 178.42 2dfs n GLY 25 N 0.93 0.40 3.11 -0.78 0.00 -1.26 -5.07 105.19 102.52 2dfs n GLY 25 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.15 0.90 0.11 2.61 -4.23 -1.26 -4.17 115.64 107.45 2dfs s THR 26 Ca 0.00 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2dfs s THR 26 Cb 0.00 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 2dfs s THR 26 CO 0.00 -0.15 -0.22 0.27 -0.54 0.00 0.00 174.62 173.97 2dfs s ILE 27 N -1.05 2.54 0.34 2.99 -4.36 -0.05 -4.76 121.20 116.86 2dfs s ILE 27 Ca -0.02 -1.59 -0.28 0.00 -0.26 0.00 0.00 60.65 58.49 2dfs s ILE 27 Cb -0.08 -2.13 -0.12 0.00 1.25 0.00 0.00 42.46 41.37 2dfs s ILE 27 CO 0.01 0.13 1.41 0.35 0.24 0.00 0.00 174.94 177.08 2dfs n THR 28 N 0.95 1.83 0.29 8.37 -2.24 -1.26 -0.72 114.28 121.51 2dfs n THR 28 Ca -0.17 -0.46 0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2dfs n THR 28 Cb 0.53 -1.77 0.88 0.00 -2.10 0.00 0.00 70.33 67.86 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 2.83 0.29 -0.08 4.28 1.35 -1.75 -0.49 112.91 119.35 2dfs h THR 29 Ca -0.48 -0.34 0.01 0.00 -0.55 0.00 0.00 66.41 65.06 2dfs h THR 29 Cb 1.26 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2dfs h THR 29 CO 0.66 0.05 0.05 0.11 -0.25 0.00 0.00 175.52 176.14 2dfs h LYS 30 N 0.00 0.03 -0.65 4.72 1.57 -1.90 -3.01 116.57 117.34 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 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2dfs h LYS 30 CO 0.01 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 2dfs n GLU 31 N -4.52 3.55 -0.31 3.15 -0.58 -0.19 -4.23 120.64 117.51 2dfs n GLU 31 Ca -0.01 -2.66 0.01 0.00 -0.42 0.00 0.00 57.16 54.08 2dfs n GLU 31 Cb 0.14 -1.86 0.19 0.00 -0.57 0.00 0.00 31.44 29.34 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 3.82 0.99 -0.13 -4.62 5.85 -1.62 -1.88 115.31 117.71 2dfs h LEU 32 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2dfs h LEU 32 Cb 1.37 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2dfs h LEU 32 CO 0.22 0.68 -0.14 1.23 -0.34 0.00 0.00 178.44 180.09 2dfs h GLY 33 N 1.15 0.35 1.39 3.75 0.00 -1.84 -2.86 103.07 105.01 2dfs h GLY 33 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2dfs h GLY 33 CO -0.11 0.33 0.25 -0.91 0.00 0.00 0.00 176.54 176.11 2dfs h THR 34 N -0.06 1.19 -0.54 4.70 1.35 -1.79 -1.78 112.91 115.98 2dfs h THR 34 Ca 0.02 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 65.27 2dfs h THR 34 Cb 0.67 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 2dfs h THR 34 CO 0.03 0.23 0.16 1.62 -0.25 0.00 0.00 175.52 177.32 2dfs h VAL 35 N 0.79 1.24 -0.70 6.82 3.04 -1.38 -3.22 116.25 122.85 2dfs h VAL 35 Ca 0.19 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 2dfs h VAL 35 Cb 0.11 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 30.10 2dfs h VAL 35 CO -0.02 0.30 0.35 0.24 -1.01 0.00 0.00 177.57 177.42 2dfs h MET 36 N 0.74 0.99 -0.97 4.17 2.86 -1.09 0.03 114.93 121.65 2dfs h MET 36 Ca 0.17 -0.14 0.23 0.00 -2.06 0.00 0.00 59.70 57.91 2dfs h MET 36 Cb 0.29 -0.18 -0.12 0.00 0.06 0.00 0.00 31.60 31.64 2dfs h MET 36 CO -0.00 0.77 0.55 0.00 1.06 0.00 0.00 176.91 179.28 2dfs h ARG 37 N 0.96 0.55 -0.01 1.72 3.08 -1.52 -2.39 114.38 116.76 2dfs h ARG 37 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2dfs h ARG 37 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2dfs h ARG 37 CO -0.03 0.36 -0.48 0.45 -1.07 0.00 0.00 179.97 179.20 2dfs n SER 38 N -4.91 1.87 -0.03 7.04 2.88 -0.12 -2.18 113.62 118.17 2dfs n SER 38 Ca 0.25 -1.42 -0.13 0.00 -1.33 0.00 0.00 58.87 56.24 2dfs n SER 38 Cb 0.70 0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 64.53 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 2.18 0.13 0.00 2.46 5.85 -1.12 -3.48 115.31 121.32 2dfs h LEU 39 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2dfs h LEU 39 Cb 0.72 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2dfs h LEU 39 CO 0.00 0.61 0.00 0.61 -0.34 0.00 0.00 178.44 179.32 2dfs n GLY 40 N 0.28 0.18 3.77 3.75 0.00 -0.93 -5.07 105.19 107.17 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 3.97 -0.04 1.61 1.11 -0.92 -4.83 119.66 120.57 2dfs s GLN 41 Ca 0.00 2.34 0.13 0.00 0.01 0.00 0.00 55.36 57.83 2dfs s GLN 41 Cb 0.00 -2.82 0.44 0.00 -1.01 0.00 0.00 33.01 29.62 2dfs s GLN 41 CO 0.00 -0.55 1.33 0.09 0.01 0.00 0.00 175.29 176.16 2dfs n ASN 42 N 0.20 2.89 -2.54 5.90 3.02 -1.26 -3.64 115.26 119.83 2dfs n ASN 42 Ca 0.03 -2.16 -0.23 0.00 -0.03 0.00 0.00 54.58 52.19 2dfs n ASN 42 Cb 0.42 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.74 0.00 -1.04 3.52 -0.02 -1.26 -4.94 135.00 132.00 2dfs n PRO 43 Ca 0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 2dfs n PRO 43 Cb 0.51 -0.62 0.24 0.00 -0.02 0.00 0.00 33.50 33.62 2dfs n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2dfs s THR 44 N -1.23 1.58 0.18 3.45 -4.23 -1.26 -4.97 115.64 109.15 2dfs s THR 44 Ca 0.30 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 2dfs s THR 44 Cb -0.20 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 2dfs s THR 44 CO 0.46 0.00 1.52 -0.33 -0.54 0.00 0.00 174.62 175.73 2dfs h GLU 45 N -2.63 0.72 -0.48 3.99 4.39 -2.00 -3.32 114.58 115.25 2dfs h GLU 45 Ca -0.45 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 58.85 2dfs h GLU 45 Cb 1.30 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2dfs h GLU 45 CO 0.34 1.01 0.27 0.00 -1.16 0.00 0.00 179.01 179.48 2dfs h ALA 46 N 0.93 0.61 -0.87 3.43 0.00 -1.99 -2.35 119.26 119.02 2dfs h ALA 46 Ca 0.04 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2dfs h ALA 46 Cb 0.99 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2dfs h ALA 46 CO 0.09 0.12 0.56 1.49 0.00 0.00 0.00 179.25 181.51 2dfs h GLU 47 N 0.63 0.84 -0.52 0.00 4.22 -1.94 0.19 114.58 118.00 2dfs h GLU 47 Ca 0.17 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 2dfs h GLU 47 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2dfs h GLU 47 CO -0.03 0.55 0.15 1.25 -2.18 0.00 0.00 179.01 178.75 2dfs h LEU 48 N 0.86 0.72 0.00 1.64 6.46 -1.54 -0.24 115.31 123.22 2dfs h LEU 48 Ca 0.40 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 2dfs h LEU 48 Cb 0.40 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2dfs h LEU 48 CO -0.17 0.69 -0.59 1.56 -0.62 0.00 0.00 178.44 179.31 2dfs h GLN 49 N 0.76 0.00 0.00 1.25 1.08 -0.45 -1.35 115.11 116.40 2dfs h GLN 49 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2dfs h GLN 49 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2dfs h GLN 49 CO -0.01 0.03 -0.05 -0.25 -0.95 0.00 0.00 178.83 177.61 2dfs n ASP 50 N -2.88 0.61 -0.03 1.46 8.00 0.43 -2.99 116.55 121.15 2dfs n ASP 50 Ca 0.01 0.51 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 2dfs n ASP 50 Cb 0.56 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 2dfs n ASP 50 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2dfs n MET 51 N -2.06 0.66 -1.36 -1.24 0.00 -0.11 -4.27 117.12 108.73 2dfs n MET 51 Ca 0.06 0.25 -0.41 0.00 0.00 0.00 0.00 57.70 57.59 2dfs n MET 51 Cb 0.41 -1.74 -0.03 0.00 0.00 0.00 0.00 33.22 31.86 2dfs n MET 51 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2dfs n ILE 52 N -3.07 2.64 -2.67 3.17 2.08 -0.51 -3.99 119.36 117.02 2dfs n ILE 52 Ca -0.22 -2.20 -0.02 0.00 0.56 0.00 0.00 62.75 60.88 2dfs n ILE 52 Cb 1.07 -2.44 0.09 0.00 -0.75 0.00 0.00 39.64 37.61 2dfs n ILE 52 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2dfs n ASN 53 N 6.49 -0.58 -3.90 4.38 0.23 -1.26 -4.91 115.26 115.72 2dfs n ASN 53 Ca 0.52 -2.15 -0.21 0.00 -0.53 0.00 0.00 54.58 52.21 2dfs n ASN 53 Cb 0.37 0.33 0.13 0.00 -2.08 0.00 0.00 39.78 38.53 2dfs n ASN 53 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2dfs n GLU 54 N -1.15 -0.42 -1.59 -3.83 4.07 -1.26 -5.06 120.64 111.40 2dfs n GLU 54 Ca -0.12 -2.04 -0.18 0.00 -0.06 0.00 0.00 57.16 54.77 2dfs n GLU 54 Cb 0.85 -0.78 0.08 0.00 -0.06 0.00 0.00 31.44 31.53 2dfs n GLU 54 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2dfs n VAL 55 N -2.97 2.61 -0.70 6.31 3.14 -1.26 -4.69 118.33 120.76 2dfs n VAL 55 Ca 0.14 -3.76 0.00 0.00 -2.96 0.00 0.00 64.34 57.75 2dfs n VAL 55 Cb 0.48 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 2dfs n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2dfs n ASP 56 N -0.84 0.35 -0.00 6.55 2.03 -1.26 -5.04 116.55 118.33 2dfs n ASP 56 Ca 0.41 -1.06 0.05 0.00 0.52 0.00 0.00 54.79 54.72 2dfs n ASP 56 Cb 0.90 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.23 2dfs n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dfs n ALA 57 N -0.03 2.78 0.91 -1.67 0.00 -1.26 -4.75 120.51 116.49 2dfs n ALA 57 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2dfs n ALA 57 Cb 0.22 -0.36 0.24 0.00 0.00 0.00 0.00 19.45 19.56 2dfs n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dfs n ASP 58 N -1.60 2.71 -0.00 0.00 2.03 -1.26 -2.71 116.55 115.72 2dfs n ASP 58 Ca -0.00 -1.88 0.02 0.00 0.52 0.00 0.00 54.79 53.45 2dfs n ASP 58 Cb 0.22 -0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.51 2dfs n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dfs n GLY 59 N 1.34 0.29 3.75 0.27 0.00 -1.26 -5.03 105.19 104.54 2dfs n GLY 59 Ca 0.17 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2dfs n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfs s ASN 60 N -1.83 6.91 0.27 1.61 0.01 -1.10 -4.95 114.94 115.86 2dfs s ASN 60 Ca 0.00 1.08 0.23 0.00 -0.71 0.00 0.00 52.86 53.46 2dfs s ASN 60 Cb 0.03 -2.35 0.20 0.00 0.41 0.00 0.00 41.25 39.54 2dfs s ASN 60 CO 0.15 0.05 1.31 1.23 -1.51 0.00 0.00 177.10 178.33 2dfs h GLY 61 N 6.02 0.00 -2.87 0.66 0.00 -1.96 -3.44 103.07 101.48 2dfs h GLY 61 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 2dfs h GLY 61 CO 0.72 0.00 -0.56 -0.51 0.00 0.00 0.00 176.54 176.18 2dfs s THR 62 N -3.27 0.10 -0.01 4.70 -4.23 -1.26 -2.23 115.64 109.43 2dfs s THR 62 Ca 0.03 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2dfs s THR 62 Cb 0.09 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2dfs s THR 62 CO 0.73 -0.44 -0.04 0.27 -0.54 0.00 0.00 174.62 174.60 2dfs s ILE 63 N -4.02 0.40 0.58 2.99 -4.36 0.11 -4.79 121.20 112.10 2dfs s ILE 63 Ca 0.22 -0.17 -0.06 0.00 -0.26 0.00 0.00 60.65 60.38 2dfs s ILE 63 Cb 0.06 -0.36 0.00 0.00 1.25 0.00 0.00 42.46 43.41 2dfs s ILE 63 CO 0.01 0.13 0.89 -0.62 0.24 0.00 0.00 174.94 175.59 2dfs s ASP 64 N 0.15 5.71 0.12 4.36 2.15 -1.26 -0.87 116.67 127.03 2dfs s ASP 64 Ca -0.01 0.77 -0.18 0.00 0.43 0.00 0.00 52.55 53.55 2dfs s ASP 64 Cb -0.05 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 2dfs s ASP 64 CO -0.00 -0.99 1.75 0.15 -0.17 0.00 0.00 175.17 175.91 2dfs h PHE 65 N -0.12 0.36 -0.79 -5.34 3.57 -2.00 -2.00 116.94 110.62 2dfs h PHE 65 Ca -0.46 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.21 2dfs h PHE 65 Cb 1.25 -0.12 -0.11 0.00 2.79 0.00 0.00 35.95 39.76 2dfs h PHE 65 CO 0.49 0.28 0.30 -1.00 -2.23 0.00 0.00 178.31 176.15 2dfs h PRO 66 N 0.34 0.39 -0.09 6.41 0.13 -1.96 -0.15 132.00 137.07 2dfs h PRO 66 Ca 0.10 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 2dfs h PRO 66 Cb 0.02 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 2dfs h PRO 66 CO -0.02 0.26 -0.11 1.49 -0.23 0.00 0.00 178.00 179.39 2dfs h GLU 67 N 0.40 -0.14 -0.93 0.86 4.22 -1.88 -1.28 114.58 115.83 2dfs h GLU 67 Ca 0.45 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.90 2dfs h GLU 67 Cb 0.74 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2dfs h GLU 67 CO -0.46 -0.09 0.57 0.35 -2.18 0.00 0.00 179.01 177.20 2dfs h PHE 68 N -0.14 1.21 -0.59 0.92 3.57 -1.15 0.58 116.94 121.33 2dfs h PHE 68 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2dfs h PHE 68 Cb 0.24 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2dfs h PHE 68 CO -0.21 0.80 0.25 1.25 -2.23 0.00 0.00 178.31 178.17 2dfs h LEU 69 N 1.27 0.81 -0.85 0.59 6.46 -0.80 -0.78 115.31 122.01 2dfs h LEU 69 Ca 0.33 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2dfs h LEU 69 Cb -0.07 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 2dfs h LEU 69 CO -0.06 0.74 0.56 0.74 -0.62 0.00 0.00 178.44 179.79 2dfs h THR 70 N 0.82 1.20 -0.27 1.05 2.02 -0.54 -1.64 112.91 115.55 2dfs h THR 70 Ca 0.20 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2dfs h THR 70 Cb 0.17 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 2dfs h THR 70 CO -0.02 0.21 0.16 0.24 0.37 0.00 0.00 175.52 176.48 2dfs h MET 71 N 1.13 0.33 -0.58 6.66 2.86 -0.57 -2.98 114.93 121.78 2dfs h MET 71 Ca 0.31 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2dfs h MET 71 Cb -0.11 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 2dfs h MET 71 CO -0.08 0.22 0.36 1.98 1.06 0.00 0.00 176.91 180.45 2dfs h MET 72 N 0.33 0.79 -0.83 1.72 -1.53 -0.89 -2.76 114.93 111.75 2dfs h MET 72 Ca 0.10 -0.07 0.05 0.00 -3.44 0.00 0.00 59.70 56.34 2dfs h MET 72 Cb -0.02 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 30.81 2dfs h MET 72 CO -0.04 0.56 0.52 0.00 0.14 0.00 0.00 176.91 178.09 2dfs h ALA 73 N 1.18 1.12 0.06 0.39 0.00 -1.22 0.16 119.26 120.96 2dfs h ALA 73 Ca 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2dfs h ALA 73 Cb -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.53 2dfs h ALA 73 CO -0.04 0.31 -1.07 0.00 0.00 0.00 0.00 179.25 178.45 2dfs h ARG 74 N 0.99 0.61 -0.07 0.00 3.08 -1.48 -3.32 114.38 114.20 2dfs h ARG 74 Ca 0.35 -0.74 -0.17 0.00 0.07 0.00 0.00 59.98 59.48 2dfs h ARG 74 Cb 0.08 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2dfs h ARG 74 CO -0.14 1.32 -0.70 0.87 -1.07 0.00 0.00 179.97 180.25 2dfs h LYS 75 N 0.24 0.33 0.00 0.04 1.79 -1.40 -3.44 116.57 114.13 2dfs h LYS 75 Ca -0.15 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2dfs h LYS 75 Cb 1.75 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 2dfs h LYS 75 CO 0.21 0.91 0.00 -0.12 -1.08 0.00 0.00 179.45 179.36 2dfs n MET 76 N -3.83 0.00 -0.32 3.15 1.56 0.56 -0.74 117.12 117.51 2dfs n MET 76 Ca -0.04 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.43 2dfs n MET 76 Cb 0.69 0.00 0.10 0.00 2.15 0.00 0.00 33.22 36.15 2dfs n MET 76 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2dfs n LYS 77 N -0.28 -0.11 -0.12 2.12 5.02 -1.26 -0.40 118.16 123.12 2dfs n LYS 77 Ca 0.00 1.34 -0.13 0.00 -2.02 0.00 0.00 58.31 57.50 2dfs n LYS 77 Cb 0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 35.03 32.99 2dfs n LYS 77 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dfs h ASP 78 N 0.00 0.92 -0.33 4.39 5.19 -1.31 -2.24 116.42 123.04 2dfs h ASP 78 Ca 0.38 -0.45 -0.11 0.00 -0.62 0.00 0.00 57.03 56.24 2dfs h ASP 78 Cb 0.60 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2dfs h ASP 78 CO -0.88 1.17 -0.21 0.74 -3.12 0.00 0.00 179.24 176.95 2dfs h THR 79 N 0.67 1.29 -0.60 0.35 2.02 -1.19 -3.12 112.91 112.34 2dfs h THR 79 Ca 0.07 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 2dfs h THR 79 Cb 0.89 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 2dfs h THR 79 CO 0.08 0.44 0.12 0.44 0.37 0.00 0.00 175.52 176.97 2dfs h ASP 80 N 0.49 0.90 -0.87 4.18 3.32 -0.77 -3.19 116.42 120.49 2dfs h ASP 80 Ca 0.07 -0.18 0.21 0.00 0.02 0.00 0.00 57.03 57.15 2dfs h ASP 80 Cb 0.76 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 2dfs h ASP 80 CO 0.06 0.89 0.59 -1.28 -1.72 0.00 0.00 179.24 177.78 2dfs h SER 81 N 0.90 0.26 1.34 6.45 0.87 -1.33 -1.21 113.55 120.83 2dfs h SER 81 Ca 0.19 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2dfs h SER 81 Cb 0.36 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2dfs h SER 81 CO 0.00 0.10 0.00 -0.33 -0.53 0.00 0.00 176.83 176.08 2dfs h GLU 82 N 0.26 0.00 -0.70 2.24 4.39 -1.63 -2.95 114.58 116.19 2dfs h GLU 82 Ca 0.44 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.02 2dfs h GLU 82 Cb 1.31 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.88 2dfs h GLU 82 CO -0.12 0.00 0.16 -0.85 -1.16 0.00 0.00 179.01 177.04 2dfs n GLU 83 N -2.82 4.10 -0.01 2.33 0.28 -0.46 -4.28 120.64 119.78 2dfs n GLU 83 Ca 0.03 -2.98 -0.16 0.00 -0.16 0.00 0.00 57.16 53.88 2dfs n GLU 83 Cb 0.38 -2.21 -0.12 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 3.10 0.26 -6.76 3.44 4.22 -1.64 -3.48 114.58 113.72 2dfs h GLU 84 Ca 0.15 -0.29 -0.52 0.00 0.08 0.00 0.00 59.36 58.78 2dfs h GLU 84 Cb 2.14 0.08 0.05 0.00 0.50 0.00 0.00 28.75 31.53 2dfs h GLU 84 CO 0.62 1.01 0.71 0.96 -2.18 0.00 0.00 179.01 180.13 2dfs s ILE 85 N -3.07 2.77 0.00 2.32 -4.36 -1.26 -4.91 121.20 112.68 2dfs s ILE 85 Ca -0.15 0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 2dfs s ILE 85 Cb 0.02 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.30 2dfs s ILE 85 CO 0.77 0.12 0.00 -2.11 0.24 0.00 0.00 174.94 173.96 2dfs n ARG 86 N 2.05 2.64 -3.97 0.37 1.85 -1.26 -4.92 116.66 113.42 2dfs n ARG 86 Ca 0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.58 2dfs n ARG 86 Cb 0.41 -0.77 -0.05 0.00 -1.05 0.00 0.00 32.46 30.99 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 -1.16 3.28 0.36 2.89 1.03 -1.26 -4.61 118.70 119.22 2dfs s GLU 87 Ca 0.00 -0.45 0.04 0.00 0.03 0.00 0.00 54.97 54.59 2dfs s GLU 87 Cb 0.00 -2.97 -0.06 0.00 -0.80 0.00 0.00 34.13 30.30 2dfs s GLU 87 CO 0.00 0.63 0.05 0.00 -1.33 0.00 0.00 175.26 174.61 2dfs s ALA 88 N -1.37 2.67 0.63 -0.84 0.00 -1.26 -5.15 121.76 116.45 2dfs s ALA 88 Ca 0.29 -1.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.24 2dfs s ALA 88 Cb -0.13 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2dfs s ALA 88 CO 0.21 -0.26 0.98 -0.59 0.00 0.00 0.00 175.76 176.10 2dfs s PHE 89 N -3.15 3.33 0.05 0.00 -0.71 -1.26 -5.11 117.98 111.13 2dfs s PHE 89 Ca 0.33 0.87 -0.01 0.00 -1.04 0.00 0.00 56.93 57.08 2dfs s PHE 89 Cb 0.08 -2.84 -0.04 0.00 -1.21 0.00 0.00 43.02 39.01 2dfs s PHE 89 CO 0.15 -0.92 -0.03 1.03 -1.34 0.00 0.00 175.22 174.12 2dfs s ARG 90 N -5.14 0.62 0.05 1.99 1.81 -1.26 -5.13 118.95 111.89 2dfs s ARG 90 Ca 0.55 -1.22 -0.05 0.00 -1.72 0.00 0.00 55.73 53.29 2dfs s ARG 90 Cb -0.11 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.58 2dfs s ARG 90 CO 0.48 -0.11 0.08 0.08 -0.68 0.00 0.00 175.30 175.15 2dfs s VAL 91 N -3.92 0.16 0.00 3.52 1.01 -1.26 -5.00 120.40 114.91 2dfs s VAL 91 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2dfs s VAL 91 Cb 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2dfs s VAL 91 CO -0.10 -0.73 0.00 0.49 0.00 0.00 0.00 175.10 174.76 2dfs n PHE 92 N 0.41 0.00 -2.14 5.22 3.72 -1.26 -5.02 117.46 118.40 2dfs n PHE 92 Ca -0.17 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 2dfs n PHE 92 Cb 0.60 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 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 6.04 -0.02 4.37 2.15 -1.26 -4.80 116.67 123.15 2dfs s ASP 93 Ca 0.00 1.06 0.16 0.00 0.43 0.00 0.00 52.55 54.20 2dfs s ASP 93 Cb 0.00 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.85 2dfs s ASP 93 CO 0.00 -1.63 0.42 0.29 -0.17 0.00 0.00 175.17 174.07 2dfs n LYS 94 N 8.34 0.71 0.01 4.34 5.02 -1.26 -4.53 118.16 130.79 2dfs n LYS 94 Ca 0.20 -0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 2dfs n LYS 94 Cb 0.47 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.95 0.46 -0.42 4.39 9.92 -1.26 -4.99 116.55 122.70 2dfs n ASP 95 Ca -0.02 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 2dfs n ASP 95 Cb 0.40 1.33 0.00 0.00 -0.64 0.00 0.00 41.12 42.21 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 1.34 0.91 0.20 0.44 0.00 -1.26 -4.98 105.19 101.84 2dfs n GLY 96 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 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 0.30 0.00 1.61 -0.73 -1.94 -3.47 115.58 111.36 2dfs h ASN 97 Ca 0.00 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.05 2dfs h ASN 97 Cb 0.94 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.45 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 0.73 3.11 1.57 0.00 -1.26 -5.08 105.19 104.05 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 0.88 0.03 1.61 2.02 -1.26 -2.08 117.35 116.55 2dfs s TYR 99 Ca 0.00 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 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 -1.37 0.30 0.73 2.71 -4.36 -0.46 -4.64 121.20 114.12 2dfs s ILE 100 Ca -0.07 -0.84 -0.13 0.00 -0.26 0.00 0.00 60.65 59.35 2dfs s ILE 100 Cb -0.10 -0.39 0.04 0.00 1.25 0.00 0.00 42.46 43.26 2dfs s ILE 100 CO 0.01 -0.36 1.12 -0.94 0.24 0.00 0.00 174.94 175.02 2dfs s SER 101 N -1.27 4.57 0.44 4.36 1.04 -1.26 -0.36 113.70 121.21 2dfs s SER 101 Ca -0.11 2.02 0.11 0.00 0.48 0.00 0.00 55.95 58.45 2dfs s SER 101 Cb -0.08 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.47 2dfs s SER 101 CO -0.00 -1.99 2.05 0.00 0.98 0.00 0.00 173.24 174.27 2dfs h ALA 102 N -0.55 1.87 -0.20 5.32 0.00 -1.72 -1.78 119.26 122.19 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 0.51 0.08 0.10 0.00 0.00 0.00 0.00 179.25 179.94 2dfs h ALA 103 N 1.77 0.26 -0.69 0.00 0.00 -1.93 -1.22 119.26 117.45 2dfs h ALA 103 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dfs h ALA 103 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2dfs h ALA 103 CO -0.04 -0.17 0.38 0.93 0.00 0.00 0.00 179.25 180.34 2dfs h GLU 104 N 0.20 0.96 -0.59 0.00 5.08 -1.89 -0.84 114.58 117.50 2dfs h GLU 104 Ca 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dfs h GLU 104 Cb 0.12 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2dfs h GLU 104 CO -0.01 0.72 0.36 1.25 -1.00 0.00 0.00 179.01 180.33 2dfs h LEU 105 N 0.94 0.71 -0.31 1.33 5.85 -1.27 -2.02 115.31 120.54 2dfs h LEU 105 Ca 0.24 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2dfs h LEU 105 Cb 0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2dfs h LEU 105 CO -0.04 0.56 0.11 -0.09 -0.34 0.00 0.00 178.44 178.64 2dfs h ARG 106 N 0.80 0.47 -0.27 1.25 2.43 -0.99 -2.58 114.38 115.49 2dfs h ARG 106 Ca 0.21 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2dfs h ARG 106 Cb -0.02 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2dfs h ARG 106 CO -0.04 0.50 -0.07 1.25 -1.51 0.00 0.00 179.97 180.10 2dfs h HIS 107 N 0.35 -0.15 -0.56 2.20 2.76 -1.05 0.50 115.15 119.20 2dfs h HIS 107 Ca 0.10 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 2dfs h HIS 107 Cb 0.21 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2dfs h HIS 107 CO 0.00 -0.12 -0.01 -0.24 -1.30 0.00 0.00 177.93 176.26 2dfs h VAL 108 N -0.00 1.26 -0.32 5.26 3.04 -1.34 0.18 116.25 124.32 2dfs h VAL 108 Ca 0.13 -1.12 -0.14 0.00 -1.01 0.00 0.00 66.70 64.56 2dfs h VAL 108 Cb 0.20 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2dfs h VAL 108 CO -0.28 0.40 -0.36 0.24 -1.01 0.00 0.00 177.57 176.55 2dfs h MET 109 N 0.88 0.81 0.00 4.17 2.07 -1.20 -3.07 114.93 118.61 2dfs h MET 109 Ca 0.16 -0.45 -0.31 0.00 -2.07 0.00 0.00 59.70 57.04 2dfs h MET 109 Cb 0.53 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 30.23 2dfs h MET 109 CO 0.03 1.08 -1.85 0.25 1.07 0.00 0.00 176.91 177.48 2dfs n THR 110 N -4.15 1.57 -0.06 2.22 -2.24 0.14 -0.89 114.28 110.87 2dfs n THR 110 Ca -0.03 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 2dfs n THR 110 Cb 0.52 -0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.00 0.37 -4.86 3.42 5.15 0.04 -4.35 115.26 112.03 2dfs n ASN 111 Ca -0.21 0.18 -0.21 0.00 -0.60 0.00 0.00 54.58 53.74 2dfs n ASN 111 Cb 1.07 0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 40.85 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 -5.72 3.75 0.00 1.20 1.43 -1.16 -4.88 118.68 113.30 2dfs s LEU 112 Ca -0.08 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2dfs s LEU 112 Cb 0.07 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2dfs s LEU 112 CO 0.83 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.78 2dfs n GLY 113 N -1.34 3.86 0.66 -3.19 0.00 -1.26 -2.60 105.19 101.33 2dfs n GLY 113 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 13.77 1.87 -2.83 1.61 1.02 -1.26 -5.02 120.64 129.80 2dfs n GLU 114 Ca 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 57.16 55.80 2dfs n GLU 114 Cb 0.00 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.54 -3.03 -2.33 3.49 5.02 -1.07 -5.01 118.16 115.77 2dfs n LYS 115 Ca 0.16 2.43 -0.31 0.00 -2.02 0.00 0.00 58.31 58.58 2dfs n LYS 115 Cb 0.37 -3.37 -0.01 0.00 -0.02 0.00 0.00 35.03 32.00 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 -0.60 3.52 0.73 -0.35 1.43 -0.07 -4.96 118.68 118.39 2dfs s LEU 116 Ca -0.14 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 2dfs s LEU 116 Cb 0.01 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.94 2dfs s LEU 116 CO 0.47 -0.65 1.09 0.42 0.23 0.00 0.00 176.35 177.90 2dfs s THR 117 N -2.79 3.48 0.21 5.49 -4.23 -1.26 -4.25 115.64 112.29 2dfs s THR 117 Ca 0.54 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.44 2dfs s THR 117 Cb -0.10 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.53 2dfs s THR 117 CO 0.41 -0.63 1.86 0.44 -0.54 0.00 0.00 174.62 176.16 2dfs h ASP 118 N -0.80 0.90 -0.89 3.99 3.32 -1.98 -2.18 116.42 118.78 2dfs h ASP 118 Ca -0.45 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.57 2dfs h ASP 118 Cb 1.25 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 2dfs h ASP 118 CO 0.61 0.68 0.59 1.05 -1.72 0.00 0.00 179.24 180.45 2dfs h GLU 119 N 1.03 1.13 -0.65 3.56 4.11 -1.98 0.30 114.58 122.08 2dfs h GLU 119 Ca 0.27 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2dfs h GLU 119 Cb -0.07 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.90 2dfs h GLU 119 CO -0.05 0.75 0.43 0.93 0.07 0.00 0.00 179.01 181.13 2dfs h GLU 120 N 1.16 0.86 -0.34 1.06 5.08 -1.90 -0.97 114.58 119.54 2dfs h GLU 120 Ca 0.34 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2dfs h GLU 120 Cb -0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2dfs h GLU 120 CO -0.09 0.58 0.05 0.28 -1.00 0.00 0.00 179.01 178.83 2dfs h VAL 121 N 0.88 1.24 -0.38 3.13 2.07 -0.66 -2.27 116.25 120.25 2dfs h VAL 121 Ca 0.24 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2dfs h VAL 121 Cb -0.09 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2dfs h VAL 121 CO -0.05 0.28 0.01 0.44 0.02 0.00 0.00 177.57 178.27 2dfs h ASP 122 N 0.40 0.56 -0.44 0.57 3.32 -0.39 -0.27 116.42 120.18 2dfs h ASP 122 Ca 0.10 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2dfs h ASP 122 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2dfs h ASP 122 CO 0.01 0.63 0.27 -0.08 -1.72 0.00 0.00 179.24 178.34 2dfs h GLU 123 N 0.57 0.59 -0.65 3.56 4.22 -1.17 -3.21 114.58 118.48 2dfs h GLU 123 Ca 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 2dfs h GLU 123 Cb 0.35 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2dfs h GLU 123 CO 0.01 0.43 0.31 1.98 -2.18 0.00 0.00 179.01 179.56 2dfs h MET 124 N 0.58 0.94 0.00 1.92 4.05 -0.87 -3.04 114.93 118.51 2dfs h MET 124 Ca 0.16 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2dfs h MET 124 Cb -0.01 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 2dfs h MET 124 CO -0.03 0.76 0.00 0.44 0.23 0.00 0.00 176.91 178.31 2dfs n ILE 125 N -4.47 0.90 0.25 1.77 -5.35 -0.16 -2.17 119.36 110.14 2dfs n ILE 125 Ca 0.05 0.27 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 2dfs n ILE 125 Cb 0.13 -1.16 0.64 0.00 -1.74 0.00 0.00 39.64 37.51 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 0.00 0.00 -0.01 6.28 3.08 -1.55 -3.08 114.38 119.10 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2dfs h ARG 126 CO 0.00 0.14 -0.62 -0.85 -1.07 0.00 0.00 179.97 177.58 2dfs n GLU 127 N -3.94 1.15 -3.74 0.04 0.28 -0.92 -4.97 120.64 108.53 2dfs n GLU 127 Ca -0.02 -0.53 -0.37 0.00 -0.16 0.00 0.00 57.16 56.08 2dfs n GLU 127 Cb 0.23 -1.39 -0.12 0.00 1.43 0.00 0.00 31.44 31.60 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 3.32 -0.03 -1.84 0.00 -1.17 -5.04 121.76 114.53 2dfs s ALA 128 Ca 0.12 -1.05 -0.33 0.00 0.00 0.00 0.00 51.96 50.70 2dfs s ALA 128 Cb 0.15 -2.18 -0.11 0.00 0.00 0.00 0.00 23.12 20.98 2dfs s ALA 128 CO 0.62 -0.40 1.87 -0.25 0.00 0.00 0.00 175.76 177.60 2dfs n ASP 129 N 4.74 3.60 -3.97 0.00 8.00 -1.26 -4.93 116.55 122.73 2dfs n ASP 129 Ca -0.16 0.97 -0.25 0.00 0.71 0.00 0.00 54.79 56.06 2dfs n ASP 129 Cb 0.52 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 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 3.76 1.06 0.96 0.53 1.10 -1.26 -4.70 121.20 122.65 2dfs s ILE 130 Ca 0.90 -0.38 -0.16 0.00 -0.51 0.00 0.00 60.65 60.50 2dfs s ILE 130 Cb -0.63 -1.02 0.23 0.00 0.15 0.00 0.00 42.46 41.19 2dfs s ILE 130 CO 0.48 0.35 1.10 -0.90 -2.11 0.00 0.00 174.94 173.86 2dfs n ASP 131 N 4.32 -0.75 0.22 4.50 5.68 -1.04 -4.95 116.55 124.54 2dfs n ASP 131 Ca -0.19 -1.29 0.11 0.00 -0.50 0.00 0.00 54.79 52.92 2dfs n ASP 131 Cb 0.51 -0.90 0.38 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 -1.93 0.00 1.20 6.12 0.00 -2.02 -3.12 103.07 103.33 2dfs h GLY 132 Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2dfs h GLY 132 CO 0.26 0.00 -0.39 -0.55 0.00 0.00 0.00 176.54 175.86 2dfs h ASP 133 N 0.00 0.93 0.00 0.19 3.32 -2.06 -3.47 116.42 115.33 2dfs h ASP 133 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2dfs h ASP 133 Cb 0.85 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2dfs h ASP 133 CO 0.02 1.20 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 2dfs n GLY 134 N 0.10 1.78 3.66 2.75 0.00 -1.18 -5.08 105.19 107.23 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 -1.91 119.66 120.86 2dfs s GLN 135 Ca 0.00 -1.47 -0.00 0.00 0.05 0.00 0.00 55.36 53.93 2dfs s GLN 135 Cb 0.00 -2.15 0.03 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 0.56 -0.21 1.34 1.01 0.51 -2.51 120.40 118.73 2dfs s VAL 136 Ca 0.33 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 2dfs s VAL 136 Cb -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2dfs s VAL 136 CO 0.20 0.27 2.22 -3.20 0.00 0.00 0.00 175.10 174.60 2dfs n ASN 137 N 4.75 3.26 0.22 3.32 2.85 -1.26 -1.35 115.26 127.05 2dfs n ASN 137 Ca -0.14 0.22 0.12 0.00 -0.11 0.00 0.00 54.58 54.67 2dfs n ASN 137 Cb 0.50 -1.55 0.20 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 14.97 0.00 -0.22 1.20 -0.00 -1.78 -2.08 116.97 129.06 2dfs h TYR 138 Ca -0.41 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.20 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 -0.34 1.49 -0.00 0.00 0.00 178.16 180.25 2dfs h GLU 139 N 0.00 0.62 -0.50 0.10 4.81 -1.90 -1.55 114.58 116.16 2dfs h GLU 139 Ca 0.00 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2dfs h GLU 139 Cb 0.96 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2dfs h GLU 139 CO 0.00 0.98 0.26 1.49 -0.73 0.00 0.00 179.01 181.01 2dfs h GLU 140 N 0.32 0.70 -0.87 1.92 4.57 -1.92 -2.46 114.58 116.83 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 0.92 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.34 2dfs h GLU 140 CO 0.08 0.56 0.54 0.35 -1.18 0.00 0.00 179.01 179.36 2dfs h PHE 141 N 0.66 1.14 -0.56 0.92 3.57 -1.37 -0.09 116.94 121.22 2dfs h PHE 141 Ca 0.17 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 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 -0.04 -0.39 -2.23 0.00 0.00 178.31 176.39 2dfs h VAL 142 N 1.20 1.26 -0.50 1.41 -1.51 -1.18 -2.39 116.25 114.54 2dfs h VAL 142 Ca 0.31 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.60 2dfs h VAL 142 Cb -0.07 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 29.94 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 0.91 0.70 -0.70 5.19 4.20 -0.91 -2.67 115.11 121.83 2dfs h GLN 143 Ca 0.16 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2dfs h GLN 143 Cb 0.58 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2dfs h GLN 143 CO 0.03 0.55 0.42 0.52 -0.67 0.00 0.00 178.83 179.68 2dfs h MET 144 N 0.67 0.95 0.00 1.46 2.86 -1.01 -0.56 114.93 119.30 2dfs h MET 144 Ca 0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2dfs h MET 144 Cb 0.05 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2dfs h MET 144 CO -0.03 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.62 2dfs h MET 145 N 0.96 0.00 -0.00 1.72 -0.00 -1.30 -2.91 114.93 113.39 2dfs h MET 145 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.95 2dfs h MET 145 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.57 2dfs h MET 145 CO -0.05 0.00 -0.55 0.25 -0.00 0.00 0.00 176.91 176.56 2dfs n THR 146 N -2.83 0.00 -1.88 -0.10 -2.24 -1.02 -4.96 114.28 101.25 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 0.35 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.19 2.98 0.00 6.98 0.00 -0.23 -5.01 121.76 124.28 2dfs s ALA 147 Ca 0.09 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2dfs s ALA 147 Cb 0.12 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2dfs s ALA 147 CO 0.52 -2.43 0.00 1.17 0.00 0.00 0.00 175.76 175.02