#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 0.87 -0.08 -0.39 3.07 -2.04 -2.18 117.51 116.75 2dfs h ILE 9 Ca 0.00 -0.05 -0.01 0.00 1.55 0.00 0.00 64.86 66.35 2dfs h ILE 9 Cb 0.00 0.72 -0.00 0.00 -0.27 0.00 0.00 36.82 37.27 2dfs h ILE 9 CO 0.00 0.02 0.01 0.00 -1.05 0.00 0.00 178.15 177.13 2dfs h ALA 10 N 1.80 0.11 -0.56 0.16 0.00 -2.05 0.25 119.26 118.96 2dfs h ALA 10 Ca 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2dfs h ALA 10 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dfs h ALA 10 CO -0.02 -0.23 0.23 1.49 0.00 0.00 0.00 179.25 180.71 2dfs h GLU 11 N -0.11 0.84 -0.71 0.00 4.81 -1.89 -1.96 114.58 115.55 2dfs h GLU 11 Ca 0.02 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2dfs h GLU 11 Cb 0.30 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2dfs h GLU 11 CO 0.00 0.72 0.23 0.35 -0.73 0.00 0.00 179.01 179.59 2dfs h PHE 12 N 0.77 1.11 -0.65 0.92 3.57 -1.41 0.21 116.94 121.46 2dfs h PHE 12 Ca 0.19 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 12 Cb 0.20 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2dfs h PHE 12 CO 0.01 0.88 0.36 -0.22 -2.23 0.00 0.00 178.31 177.11 2dfs h LYS 13 N 1.04 0.91 -0.61 1.11 3.64 -0.31 0.13 116.57 122.48 2dfs h LYS 13 Ca 0.23 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2dfs h LYS 13 Cb 0.28 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2dfs h LYS 13 CO -0.01 0.68 0.26 0.93 -2.27 0.00 0.00 179.45 179.04 2dfs h GLU 14 N 0.89 0.88 -0.44 1.90 4.39 -1.02 0.13 114.58 121.30 2dfs h GLU 14 Ca 0.23 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2dfs h GLU 14 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2dfs h GLU 14 CO -0.04 0.71 0.23 0.00 -1.16 0.00 0.00 179.01 178.75 2dfs h ALA 15 N 1.42 0.57 -0.64 3.43 0.00 -0.58 -2.44 119.26 121.01 2dfs h ALA 15 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dfs h ALA 15 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2dfs h ALA 15 CO -0.02 0.10 0.40 0.35 0.00 0.00 0.00 179.25 180.08 2dfs h PHE 16 N 0.58 0.83 0.00 0.00 3.57 -0.33 -2.07 116.94 119.51 2dfs h PHE 16 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2dfs h PHE 16 Cb 0.08 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2dfs h PHE 16 CO -0.02 0.55 0.00 0.45 -2.23 0.00 0.00 178.31 177.06 2dfs n SER 17 N -4.60 0.49 -0.02 0.41 2.88 0.42 -0.75 113.62 112.45 2dfs n SER 17 Ca 0.05 0.62 -0.11 0.00 -1.33 0.00 0.00 58.87 58.11 2dfs n SER 17 Cb 0.04 -0.73 -0.14 0.00 -0.75 0.00 0.00 64.21 62.64 2dfs n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2dfs n LEU 18 N -2.04 1.19 -0.01 2.46 0.00 -0.89 -4.36 117.00 113.35 2dfs n LEU 18 Ca 0.02 0.38 -0.18 0.00 0.00 0.00 0.00 56.01 56.23 2dfs n LEU 18 Cb 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 43.42 43.48 2dfs n LEU 18 CO 0.17 0.47 0.23 -0.26 0.00 0.00 0.00 177.39 178.01 2dfs h PHE 19 N 0.01 1.01 -2.46 1.96 -1.00 -0.65 -3.41 116.94 112.41 2dfs h PHE 19 Ca -0.31 -0.47 -0.53 0.00 2.81 0.00 0.00 57.97 59.47 2dfs h PHE 19 Cb 2.02 -0.14 0.03 0.00 3.61 0.00 0.00 35.95 41.47 2dfs h PHE 19 CO 0.01 1.30 1.17 0.34 -1.61 0.00 0.00 178.31 179.53 2dfs s ASP 20 N -7.09 6.42 -0.02 2.17 2.15 0.07 -4.84 116.67 115.53 2dfs s ASP 20 Ca -0.11 2.75 -0.00 0.00 0.43 0.00 0.00 52.55 55.62 2dfs s ASP 20 Cb 0.08 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2dfs s ASP 20 CO 0.90 -1.03 -0.02 0.29 -0.17 0.00 0.00 175.17 175.13 2dfs n LYS 21 N 6.42 0.05 -0.25 4.34 4.76 -1.26 -4.59 118.16 127.64 2dfs n LYS 21 Ca 0.19 0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 2dfs n LYS 21 Cb 0.39 -0.97 0.07 0.00 -1.84 0.00 0.00 35.03 32.67 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 -0.01 1.06 -0.06 4.39 3.32 -1.93 -3.48 116.42 119.70 2dfs h ASP 22 Ca -0.05 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2dfs h ASP 22 Cb 1.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2dfs h ASP 22 CO -0.01 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.12 2dfs n GLY 23 N -0.70 1.06 0.15 2.75 0.00 -1.26 -4.99 105.19 102.19 2dfs n GLY 23 Ca 0.05 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.00 -1.95 -3.47 116.42 112.61 2dfs h ASP 24 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 2dfs h ASP 24 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 2dfs h ASP 24 CO 0.00 0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.86 2dfs n GLY 25 N 1.18 0.14 3.01 -0.78 0.00 -1.26 -5.07 105.19 102.40 2dfs n GLY 25 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 0.75 0.16 2.61 -4.23 -1.26 -4.12 115.64 107.53 2dfs s THR 26 Ca 0.00 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 2dfs s THR 26 Cb 0.00 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 2dfs s THR 26 CO 0.00 0.23 0.22 0.27 -0.54 0.00 0.00 174.62 174.80 2dfs s ILE 27 N 0.04 4.93 0.37 2.99 -4.36 -0.29 -4.77 121.20 120.10 2dfs s ILE 27 Ca -0.01 -0.89 -0.28 0.00 -0.26 0.00 0.00 60.65 59.21 2dfs s ILE 27 Cb -0.07 -3.54 -0.11 0.00 1.25 0.00 0.00 42.46 39.99 2dfs s ILE 27 CO 0.00 -0.11 1.46 0.35 0.24 0.00 0.00 174.94 176.88 2dfs n THR 28 N -0.50 1.94 0.28 8.37 -2.24 -1.26 -0.51 114.28 120.35 2dfs n THR 28 Ca -0.08 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2dfs n THR 28 Cb 0.54 -1.90 0.79 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.90 0.71 -0.19 4.28 1.35 -1.73 -0.67 112.91 119.56 2dfs h THR 29 Ca -0.50 -0.12 0.01 0.00 -0.55 0.00 0.00 66.41 65.25 2dfs h THR 29 Cb 1.25 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2dfs h THR 29 CO 0.65 0.03 0.13 0.11 -0.25 0.00 0.00 175.52 176.19 2dfs h LYS 30 N 0.00 0.22 -0.69 4.72 1.57 -1.90 -2.74 116.57 117.75 2dfs h LYS 30 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dfs h LYS 30 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2dfs h LYS 30 CO 0.00 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 2dfs n GLU 31 N -4.51 2.85 -0.25 3.15 -0.58 -0.26 -4.16 120.64 116.88 2dfs n GLU 31 Ca 0.00 -1.65 -0.05 0.00 -0.42 0.00 0.00 57.16 55.05 2dfs n GLU 31 Cb 0.10 -1.78 0.06 0.00 -0.57 0.00 0.00 31.44 29.25 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 2.21 0.78 0.00 -4.62 5.85 -1.59 -2.25 115.31 115.70 2dfs h LEU 32 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2dfs h LEU 32 Cb 1.13 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2dfs h LEU 32 CO 0.21 0.56 -0.03 1.23 -0.34 0.00 0.00 178.44 180.06 2dfs h GLY 33 N 0.93 0.00 0.93 3.75 0.00 -1.84 -2.05 103.07 104.78 2dfs h GLY 33 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.25 2dfs h GLY 33 CO -0.07 0.00 -1.75 -0.91 0.00 0.00 0.00 176.54 173.81 2dfs h THR 34 N 0.00 0.92 -0.73 4.70 1.35 -1.84 -3.19 112.91 114.12 2dfs h THR 34 Ca 0.00 -2.54 -0.05 0.00 -0.55 0.00 0.00 66.41 63.27 2dfs h THR 34 Cb 0.77 2.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.87 2dfs h THR 34 CO 0.00 0.85 0.26 1.62 -0.25 0.00 0.00 175.52 178.00 2dfs h VAL 35 N 0.09 1.26 -0.33 6.82 3.04 -1.22 0.11 116.25 126.02 2dfs h VAL 35 Ca -0.34 -0.85 0.02 0.00 -1.01 0.00 0.00 66.70 64.53 2dfs h VAL 35 Cb 2.07 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 2dfs h VAL 35 CO 0.16 0.34 0.18 0.24 -1.01 0.00 0.00 177.57 177.48 2dfs h MET 36 N 1.07 0.36 -0.21 4.17 2.86 -1.54 -2.29 114.93 119.35 2dfs h MET 36 Ca 0.24 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.76 2dfs h MET 36 Cb 0.26 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2dfs h MET 36 CO -0.01 0.24 -0.30 0.00 1.06 0.00 0.00 176.91 177.90 2dfs h ARG 37 N 0.37 0.42 -0.67 1.72 3.08 -1.49 -2.59 114.38 115.22 2dfs h ARG 37 Ca 0.14 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2dfs h ARG 37 Cb 0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2dfs h ARG 37 CO -0.08 0.68 0.28 1.03 -1.07 0.00 0.00 179.97 180.81 2dfs h SER 38 N 0.37 0.92 -0.44 7.04 0.87 -0.61 -3.14 113.55 118.56 2dfs h SER 38 Ca 0.05 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2dfs h SER 38 Cb 0.71 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2dfs h SER 38 CO 0.05 0.83 0.19 0.25 -0.53 0.00 0.00 176.83 177.62 2dfs h LEU 39 N 0.95 0.60 0.00 2.23 5.85 -1.28 -3.47 115.31 120.19 2dfs h LEU 39 Ca 0.23 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2dfs h LEU 39 Cb 0.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2dfs h LEU 39 CO -0.02 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 2dfs n GLY 40 N -0.81 0.72 3.70 3.75 0.00 -1.00 -5.08 105.19 106.48 2dfs n GLY 40 Ca 0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 1.46 0.00 1.61 1.11 -1.07 -4.93 119.66 117.84 2dfs s GLN 41 Ca 0.00 1.53 0.24 0.00 0.01 0.00 0.00 55.36 57.14 2dfs s GLN 41 Cb 0.00 -1.78 0.25 0.00 -1.01 0.00 0.00 33.01 30.47 2dfs s GLN 41 CO 0.00 -2.30 1.29 0.09 0.01 0.00 0.00 175.29 174.38 2dfs n ASN 42 N -3.80 3.10 -4.33 5.90 3.02 -1.26 -3.89 115.26 114.00 2dfs n ASN 42 Ca 0.12 -1.99 -0.49 0.00 -0.03 0.00 0.00 54.58 52.18 2dfs n ASN 42 Cb 0.52 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 2dfs n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dfs n PRO 43 N 1.38 0.00 -1.29 3.52 -0.04 -1.26 -4.97 135.00 132.34 2dfs n PRO 43 Ca 0.15 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 2dfs n PRO 43 Cb 0.60 -1.08 0.08 0.00 -0.04 0.00 0.00 33.50 33.05 2dfs n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dfs n THR 44 N 0.32 2.25 0.91 0.52 -2.24 -1.26 -4.88 114.28 109.90 2dfs n THR 44 Ca 0.18 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2dfs n THR 44 Cb 0.21 -0.93 0.49 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.38 0.06 -0.03 -0.78 1.02 -1.26 -2.17 120.64 116.10 2dfs n GLU 45 Ca 0.12 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 2dfs n GLU 45 Cb 0.50 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 2dfs n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dfs h ALA 46 N 2.89 0.09 -0.84 0.62 0.00 -1.99 -2.87 119.26 117.16 2dfs h ALA 46 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2dfs h ALA 46 Cb 0.55 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2dfs h ALA 46 CO 0.00 -0.05 0.54 0.93 0.00 0.00 0.00 179.25 180.66 2dfs h GLU 47 N -0.32 1.00 -0.75 0.00 4.39 -1.84 0.27 114.58 117.33 2dfs h GLU 47 Ca 0.00 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2dfs h GLU 47 Cb 0.66 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2dfs h GLU 47 CO 0.02 0.66 0.47 1.25 -1.16 0.00 0.00 179.01 180.26 2dfs h LEU 48 N 1.03 0.76 -0.82 1.33 6.46 -1.57 -2.00 115.31 120.51 2dfs h LEU 48 Ca 0.34 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 58.01 2dfs h LEU 48 Cb 0.04 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2dfs h LEU 48 CO -0.13 0.51 -0.12 1.56 -0.62 0.00 0.00 178.44 179.64 2dfs h GLN 49 N 0.90 0.76 0.00 1.25 1.08 -0.80 0.47 115.11 118.76 2dfs h GLN 49 Ca 0.31 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2dfs h GLN 49 Cb 0.06 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2dfs h GLN 49 CO -0.13 0.85 0.00 -0.44 -0.95 0.00 0.00 178.83 178.16 2dfs h ASP 50 N 0.68 0.00 0.00 1.46 5.19 -0.83 -2.94 116.42 119.98 2dfs h ASP 50 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2dfs h ASP 50 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2dfs h ASP 50 CO 0.04 0.00 0.00 1.15 -3.12 0.00 0.00 179.24 177.31 2dfs n MET 51 N -2.32 2.12 0.02 3.56 0.00 -0.77 -4.57 117.12 115.16 2dfs n MET 51 Ca 0.03 -0.30 -0.15 0.00 0.00 0.00 0.00 57.70 57.28 2dfs n MET 51 Cb 0.29 -0.80 -0.04 0.00 0.00 0.00 0.00 33.22 32.67 2dfs n MET 51 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2dfs h ILE 52 N 0.01 1.33 -4.14 3.17 6.09 -0.07 -3.45 117.51 120.45 2dfs h ILE 52 Ca 0.00 -2.13 -0.54 0.00 -1.37 0.00 0.00 64.86 60.83 2dfs h ILE 52 Cb 0.00 2.13 0.14 0.00 0.47 0.00 0.00 36.82 39.56 2dfs h ILE 52 CO 0.00 0.65 0.45 0.54 -3.07 0.00 0.00 178.15 176.72 2dfs s ASN 53 N -7.08 4.63 0.00 2.19 2.20 -1.11 -2.72 114.94 113.05 2dfs s ASN 53 Ca -0.08 2.42 0.00 0.00 -0.94 0.00 0.00 52.86 54.26 2dfs s ASN 53 Cb 0.09 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2dfs s ASN 53 CO 0.88 -1.97 0.00 1.21 -2.94 0.00 0.00 177.10 174.28 2dfs n GLU 54 N -2.15 0.00 -0.02 3.55 0.00 -1.26 -4.73 120.64 116.03 2dfs n GLU 54 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.32 2dfs n GLU 54 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.85 2dfs n GLU 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2dfs n VAL 55 N 0.00 0.27 0.00 6.31 3.14 -1.26 -4.50 118.33 122.29 2dfs n VAL 55 Ca 0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2dfs n VAL 55 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 -2.09 0.00 0.28 6.55 2.03 -1.26 -3.64 116.55 118.42 2dfs n ASP 56 Ca -0.08 0.34 0.15 0.00 0.52 0.00 0.00 54.79 55.72 2dfs n ASP 56 Cb 0.50 -0.26 0.80 0.00 -0.72 0.00 0.00 41.12 41.45 2dfs n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dfs h ALA 57 N -2.00 1.20 -0.74 -1.67 0.00 -1.89 -0.11 119.26 114.05 2dfs h ALA 57 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dfs h ALA 57 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2dfs h ALA 57 CO 0.00 0.10 0.38 0.22 0.00 0.00 0.00 179.25 179.95 2dfs h ASP 58 N 0.00 0.94 0.82 0.00 3.58 -1.72 -3.04 116.42 117.00 2dfs h ASP 58 Ca -0.00 -0.11 -0.19 0.00 0.42 0.00 0.00 57.03 57.15 2dfs h ASP 58 Cb 0.30 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2dfs h ASP 58 CO 0.01 0.79 -0.90 1.23 -2.88 0.00 0.00 179.24 177.49 2dfs h GLY 59 N 1.03 0.05 -3.74 -0.78 0.00 -1.30 -3.47 103.07 94.85 2dfs h GLY 59 Ca 0.26 -0.10 -0.53 0.00 0.00 0.00 0.00 47.33 46.96 2dfs h GLY 59 CO -0.04 0.09 0.68 -1.31 0.00 0.00 0.00 176.54 175.96 2dfs s ASN 60 N -6.80 6.43 0.13 0.19 0.01 -0.17 -4.96 114.94 109.76 2dfs s ASN 60 Ca -0.00 2.82 0.19 0.00 -0.71 0.00 0.00 52.86 55.16 2dfs s ASN 60 Cb 0.11 -2.65 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 2dfs s ASN 60 CO 0.81 -0.79 0.95 1.23 -1.51 0.00 0.00 177.10 177.79 2dfs h GLY 61 N 2.98 0.00 -3.64 0.66 0.00 -1.90 -3.45 103.07 97.71 2dfs h GLY 61 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2dfs h GLY 61 CO 0.64 0.00 -0.50 -0.51 0.00 0.00 0.00 176.54 176.16 2dfs s THR 62 N -3.09 0.15 -0.05 4.70 -4.23 -1.26 -2.04 115.64 109.81 2dfs s THR 62 Ca -0.02 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2dfs s THR 62 Cb 0.09 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2dfs s THR 62 CO 0.80 -0.68 -0.10 0.27 -0.54 0.00 0.00 174.62 174.37 2dfs s ILE 63 N -3.19 0.92 0.65 2.99 -4.36 0.33 -4.82 121.20 113.72 2dfs s ILE 63 Ca -0.00 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.91 2dfs s ILE 63 Cb 0.02 -0.85 -0.02 0.00 1.25 0.00 0.00 42.46 42.86 2dfs s ILE 63 CO -0.07 0.30 1.05 -0.62 0.24 0.00 0.00 174.94 175.84 2dfs s ASP 64 N 0.65 5.96 0.19 4.36 2.15 -1.26 -1.14 116.67 127.57 2dfs s ASP 64 Ca -0.12 1.32 -0.12 0.00 0.43 0.00 0.00 52.55 54.05 2dfs s ASP 64 Cb -0.14 -2.28 0.10 0.00 -0.30 0.00 0.00 42.92 40.30 2dfs s ASP 64 CO 0.02 -1.03 1.84 0.15 -0.17 0.00 0.00 175.17 175.97 2dfs h PHE 65 N -0.44 0.81 -0.93 -5.34 3.57 -2.00 -1.43 116.94 111.20 2dfs h PHE 65 Ca -0.44 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.23 2dfs h PHE 65 Cb 1.21 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.58 2dfs h PHE 65 CO 0.60 0.54 0.52 -1.00 -2.23 0.00 0.00 178.31 176.74 2dfs h PRO 66 N 0.85 0.68 -0.08 6.41 0.13 -1.95 -0.90 132.00 137.13 2dfs h PRO 66 Ca 0.23 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2dfs h PRO 66 Cb -0.05 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 30.92 2dfs h PRO 66 CO -0.05 0.45 0.04 1.49 -0.23 0.00 0.00 178.00 179.70 2dfs h GLU 67 N 0.70 0.12 -0.62 0.86 4.22 -1.79 -2.13 114.58 115.94 2dfs h GLU 67 Ca 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.91 2dfs h GLU 67 Cb 0.76 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2dfs h GLU 67 CO -0.37 0.22 0.27 0.35 -2.18 0.00 0.00 179.01 177.29 2dfs h PHE 68 N -0.00 0.92 -0.79 0.92 3.57 -1.09 -0.20 116.94 120.26 2dfs h PHE 68 Ca 0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dfs h PHE 68 Cb 0.14 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2dfs h PHE 68 CO -0.03 0.72 0.50 1.25 -2.23 0.00 0.00 178.31 178.52 2dfs h LEU 69 N 0.86 0.92 -0.41 0.59 6.46 -1.18 0.19 115.31 122.74 2dfs h LEU 69 Ca 0.21 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2dfs h LEU 69 Cb 0.17 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2dfs h LEU 69 CO -0.02 0.69 0.15 0.74 -0.62 0.00 0.00 178.44 179.38 2dfs h THR 70 N 1.07 1.21 -0.51 1.05 2.02 -0.60 -1.81 112.91 115.34 2dfs h THR 70 Ca 0.29 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2dfs h THR 70 Cb -0.08 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2dfs h THR 70 CO -0.06 0.23 0.27 0.24 0.37 0.00 0.00 175.52 176.58 2dfs h MET 71 N 0.52 0.72 -0.73 6.66 2.86 -0.50 -2.01 114.93 122.45 2dfs h MET 71 Ca 0.14 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2dfs h MET 71 Cb 0.22 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2dfs h MET 71 CO -0.01 0.58 0.48 1.98 1.06 0.00 0.00 176.91 180.99 2dfs h MET 72 N 0.69 0.97 -0.58 1.72 -1.53 -0.97 -1.76 114.93 113.46 2dfs h MET 72 Ca 0.18 -0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2dfs h MET 72 Cb 0.07 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2dfs h MET 72 CO -0.03 0.65 0.29 0.00 0.14 0.00 0.00 176.91 177.97 2dfs h ALA 73 N 1.26 0.74 -0.51 0.39 0.00 -1.12 -0.58 119.26 119.43 2dfs h ALA 73 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dfs h ALA 73 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2dfs h ALA 73 CO -0.06 0.29 0.24 -0.09 0.00 0.00 0.00 179.25 179.63 2dfs h ARG 74 N 0.78 0.74 -0.60 0.00 2.43 -1.18 -3.25 114.38 113.30 2dfs h ARG 74 Ca 0.20 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2dfs h ARG 74 Cb 0.09 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2dfs h ARG 74 CO -0.03 0.62 0.00 1.63 -1.51 0.00 0.00 179.97 180.68 2dfs n LYS 75 N -4.59 3.00 -0.23 0.20 4.76 -0.68 -4.77 118.16 115.84 2dfs n LYS 75 Ca 0.02 -2.56 -0.00 0.00 -2.87 0.00 0.00 58.31 52.90 2dfs n LYS 75 Cb 0.12 -1.57 0.07 0.00 -1.84 0.00 0.00 35.03 31.81 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 3.55 -0.01 -0.77 1.97 4.05 -1.14 -1.23 114.93 121.36 2dfs h MET 76 Ca 0.00 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2dfs h MET 76 Cb 1.04 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.77 2dfs h MET 76 CO 0.06 -0.01 0.41 0.87 0.23 0.00 0.00 176.91 178.47 2dfs h LYS 77 N -0.01 0.65 -0.09 0.39 1.57 -1.87 0.20 116.57 117.41 2dfs h LYS 77 Ca 0.32 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 2dfs h LYS 77 Cb 0.50 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2dfs h LYS 77 CO -0.70 0.43 -0.84 -0.44 -0.57 0.00 0.00 179.45 177.33 2dfs h ASP 78 N 0.67 0.78 -0.32 0.86 3.32 -1.64 -1.81 116.42 118.28 2dfs h ASP 78 Ca 0.38 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 2dfs h ASP 78 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2dfs h ASP 78 CO -0.27 1.34 -0.09 0.74 -1.72 0.00 0.00 179.24 179.23 2dfs h THR 79 N 0.42 1.28 -0.70 0.35 2.02 -0.76 -2.98 112.91 112.53 2dfs h THR 79 Ca -0.07 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 2dfs h THR 79 Cb 1.46 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 2dfs h THR 79 CO 0.16 0.37 0.25 0.44 0.37 0.00 0.00 175.52 177.11 2dfs h ASP 80 N 0.41 0.98 -0.24 4.18 3.32 -0.63 -3.09 116.42 121.35 2dfs h ASP 80 Ca 0.08 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.04 2dfs h ASP 80 Cb 0.59 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2dfs h ASP 80 CO 0.03 0.89 0.21 -1.28 -1.72 0.00 0.00 179.24 177.38 2dfs h SER 81 N 1.03 0.00 0.80 6.45 0.87 -1.17 -0.81 113.55 120.72 2dfs h SER 81 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2dfs h SER 81 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2dfs h SER 81 CO -0.01 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 175.96 2dfs h GLU 82 N 0.00 0.00 -0.01 2.24 4.39 -1.50 -3.28 114.58 116.42 2dfs h GLU 82 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2dfs h GLU 82 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2dfs h GLU 82 CO -0.00 0.00 -0.54 -0.85 -1.16 0.00 0.00 179.01 176.46 2dfs n GLU 83 N -2.41 0.94 -0.07 2.33 0.28 -0.31 -4.29 120.64 117.12 2dfs n GLU 83 Ca 0.02 -0.76 -0.10 0.00 -0.16 0.00 0.00 57.16 56.16 2dfs n GLU 83 Cb 0.25 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.61 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 1.85 0.35 -6.11 3.44 4.22 -1.69 -3.45 114.58 113.19 2dfs h GLU 84 Ca 0.00 -0.03 -0.62 0.00 0.08 0.00 0.00 59.36 58.79 2dfs h GLU 84 Cb 0.68 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2dfs h GLU 84 CO 0.00 0.29 1.32 0.44 -2.18 0.00 0.00 179.01 178.88 2dfs n ILE 85 N -4.87 0.42 0.00 2.32 -5.35 -1.26 -4.83 119.36 105.80 2dfs n ILE 85 Ca -0.02 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2dfs n ILE 85 Cb 0.06 -2.07 0.00 0.00 -1.74 0.00 0.00 39.64 35.89 2dfs n ILE 85 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2dfs n ARG 86 N 7.80 1.99 -5.12 6.28 1.85 -1.26 -4.88 116.66 123.32 2dfs n ARG 86 Ca 0.30 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.84 2dfs n ARG 86 Cb 0.34 -0.84 -0.15 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.36 1.98 0.11 2.89 1.03 -1.26 -4.73 118.70 117.36 2dfs s GLU 87 Ca 0.00 -1.01 -0.23 0.00 0.03 0.00 0.00 54.97 53.76 2dfs s GLU 87 Cb 0.00 -2.02 0.06 0.00 -0.80 0.00 0.00 34.13 31.37 2dfs s GLU 87 CO 0.00 0.54 0.57 0.00 -1.33 0.00 0.00 175.26 175.04 2dfs s ALA 88 N -0.70 -1.49 -0.06 -0.84 0.00 -1.26 -5.16 121.76 112.25 2dfs s ALA 88 Ca 0.11 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2dfs s ALA 88 Cb -0.10 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2dfs s ALA 88 CO 0.00 -0.66 -0.24 -0.59 0.00 0.00 0.00 175.76 174.27 2dfs s PHE 89 N -3.25 2.39 -0.11 0.00 -0.71 -1.26 -5.09 117.98 109.95 2dfs s PHE 89 Ca -0.01 -0.73 -0.09 0.00 -1.04 0.00 0.00 56.93 55.06 2dfs s PHE 89 Cb -0.00 -1.57 0.03 0.00 -1.21 0.00 0.00 43.02 40.27 2dfs s PHE 89 CO -0.08 -0.23 0.29 0.50 -1.34 0.00 0.00 175.22 174.36 2dfs s ARG 90 N -0.12 0.31 0.34 1.99 6.06 -1.26 -5.15 118.95 121.12 2dfs s ARG 90 Ca -0.04 0.46 -0.14 0.00 -2.50 0.00 0.00 55.73 53.50 2dfs s ARG 90 Cb -0.14 0.09 -0.08 0.00 0.06 0.00 0.00 34.95 34.88 2dfs s ARG 90 CO 0.04 -0.08 0.74 0.54 -2.50 0.00 0.00 175.30 174.04 2dfs s VAL 91 N 0.49 4.71 0.00 7.11 0.11 -1.26 -4.80 120.40 126.76 2dfs s VAL 91 Ca -0.03 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 2dfs s VAL 91 Cb -0.04 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2dfs s VAL 91 CO -0.03 -0.26 0.00 0.49 -3.33 0.00 0.00 175.10 171.97 2dfs n PHE 92 N -0.58 -0.70 -1.43 1.54 3.72 -1.26 -5.04 117.46 113.71 2dfs n PHE 92 Ca 0.03 0.00 -0.62 0.00 -0.05 0.00 0.00 57.45 56.81 2dfs n PHE 92 Cb 0.53 0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 39.10 2dfs n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2dfs n ASP 93 N -1.95 0.99 -0.00 4.37 -0.08 -1.26 -4.84 116.55 113.77 2dfs n ASP 93 Ca 0.00 0.85 0.05 0.00 -1.51 0.00 0.00 54.79 54.17 2dfs n ASP 93 Cb 0.00 -0.91 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 2dfs n ASP 93 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dfs n LYS 94 N 6.32 2.10 -0.01 -0.67 5.02 -1.26 -4.66 118.16 125.00 2dfs n LYS 94 Ca 0.46 -0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2dfs n LYS 94 Cb -0.03 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.53 0.19 -0.32 4.39 8.00 -1.26 -4.98 116.55 121.03 2dfs n ASP 95 Ca -0.00 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2dfs n ASP 95 Cb 0.20 1.81 0.00 0.00 -0.02 0.00 0.00 41.12 43.11 2dfs n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfs n GLY 96 N 1.30 0.92 0.28 0.44 0.00 -1.26 -4.99 105.19 101.88 2dfs n GLY 96 Ca -0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 2dfs n GLY 96 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dfs h ASN 97 N 0.00 0.69 0.00 1.61 2.35 -1.94 -3.47 115.58 114.82 2dfs h ASN 97 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2dfs h ASN 97 Cb 0.80 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2dfs h ASN 97 CO 0.00 0.77 0.00 0.61 -1.65 0.00 0.00 177.43 177.16 2dfs n GLY 98 N -0.67 0.53 3.26 2.83 0.00 -1.26 -5.07 105.19 104.80 2dfs n GLY 98 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.09 1.63 0.03 1.61 2.02 -1.26 -1.94 117.35 117.36 2dfs s TYR 99 Ca 0.00 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2dfs s TYR 99 Cb 0.00 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2dfs s TYR 99 CO 0.00 0.18 -0.06 0.96 -1.57 0.00 0.00 175.55 175.06 2dfs s ILE 100 N -1.34 0.34 0.67 2.71 -4.36 -0.68 -4.45 121.20 114.10 2dfs s ILE 100 Ca 0.06 -0.99 -0.14 0.00 -0.26 0.00 0.00 60.65 59.31 2dfs s ILE 100 Cb -0.09 -0.45 0.01 0.00 1.25 0.00 0.00 42.46 43.18 2dfs s ILE 100 CO 0.04 -0.43 1.10 -0.94 0.24 0.00 0.00 174.94 174.95 2dfs s SER 101 N -1.51 5.04 0.42 4.36 1.04 -1.26 -0.62 113.70 121.17 2dfs s SER 101 Ca -0.13 1.96 0.10 0.00 0.48 0.00 0.00 55.95 58.37 2dfs s SER 101 Cb -0.10 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 64.41 2dfs s SER 101 CO -0.00 -1.67 2.01 0.00 0.98 0.00 0.00 173.24 174.55 2dfs h ALA 102 N -0.15 1.86 -0.30 5.32 0.00 -1.63 -1.28 119.26 123.08 2dfs h ALA 102 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2dfs h ALA 102 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dfs h ALA 102 CO 0.54 0.05 0.16 0.00 0.00 0.00 0.00 179.25 180.00 2dfs h ALA 103 N 1.71 0.39 -0.63 0.00 0.00 -1.93 -0.86 119.26 117.94 2dfs h ALA 103 Ca 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2dfs h ALA 103 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2dfs h ALA 103 CO -0.06 -0.08 0.20 0.93 0.00 0.00 0.00 179.25 180.23 2dfs h GLU 104 N 0.37 0.97 -0.45 0.00 5.08 -1.85 -0.59 114.58 118.12 2dfs h GLU 104 Ca 0.11 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2dfs h GLU 104 Cb 0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2dfs h GLU 104 CO -0.02 0.86 0.29 1.25 -1.00 0.00 0.00 179.01 180.39 2dfs h LEU 105 N 0.90 0.50 -0.48 1.33 5.85 -1.18 -1.21 115.31 121.02 2dfs h LEU 105 Ca 0.20 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2dfs h LEU 105 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2dfs h LEU 105 CO -0.01 0.36 0.24 -0.09 -0.34 0.00 0.00 178.44 178.60 2dfs h ARG 106 N 0.59 0.68 -0.63 1.25 2.43 -1.00 -1.53 114.38 116.17 2dfs h ARG 106 Ca 0.17 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2dfs h ARG 106 Cb -0.06 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 2dfs h ARG 106 CO -0.04 0.57 0.36 1.25 -1.51 0.00 0.00 179.97 180.59 2dfs h HIS 107 N 0.63 0.66 -0.25 2.20 2.76 -0.94 0.22 115.15 120.43 2dfs h HIS 107 Ca 0.17 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2dfs h HIS 107 Cb 0.10 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2dfs h HIS 107 CO -0.01 0.34 0.03 -0.24 -1.30 0.00 0.00 177.93 176.75 2dfs h VAL 108 N 0.68 1.24 -0.49 5.26 3.04 -1.05 -1.30 116.25 123.63 2dfs h VAL 108 Ca 0.27 -0.81 -0.12 0.00 -1.01 0.00 0.00 66.70 65.03 2dfs h VAL 108 Cb 0.13 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 2dfs h VAL 108 CO -0.15 0.26 -0.14 0.24 -1.01 0.00 0.00 177.57 176.76 2dfs h MET 109 N 0.22 0.97 -0.00 4.17 2.07 -0.97 -2.03 114.93 119.36 2dfs h MET 109 Ca 0.07 -0.38 0.00 0.00 -2.07 0.00 0.00 59.70 57.32 2dfs h MET 109 Cb 0.35 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2dfs h MET 109 CO 0.01 1.05 -0.92 0.25 1.07 0.00 0.00 176.91 178.37 2dfs n THR 110 N -4.18 0.00 0.09 2.22 -2.24 0.75 -1.30 114.28 109.62 2dfs n THR 110 Ca 0.00 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2dfs n THR 110 Cb 0.42 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.36 2.49 -3.78 3.42 5.15 -0.49 -4.62 115.26 116.07 2dfs n ASN 111 Ca 0.05 -0.20 -0.24 0.00 -0.60 0.00 0.00 54.58 53.59 2dfs n ASN 111 Cb 0.34 1.22 -0.17 0.00 -0.53 0.00 0.00 39.78 40.64 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 -3.14 0.71 0.00 1.20 1.43 -0.76 -4.96 118.68 113.15 2dfs s LEU 112 Ca -0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2dfs s LEU 112 Cb 0.05 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.76 2dfs s LEU 112 CO 0.29 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2dfs n GLY 113 N 5.11 0.08 3.67 -3.19 0.00 -1.26 -4.66 105.19 104.95 2dfs n GLY 113 Ca -0.08 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2dfs n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfs s GLU 114 N -0.03 4.32 -0.16 1.61 2.02 -1.26 -5.03 118.70 120.18 2dfs s GLU 114 Ca 0.00 1.04 -0.25 0.00 0.02 0.00 0.00 54.97 55.78 2dfs s GLU 114 Cb 0.00 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2dfs s GLU 114 CO 0.00 -0.30 0.81 0.15 0.02 0.00 0.00 175.26 175.94 2dfs s LYS 115 N 2.04 4.31 0.60 1.61 1.02 -1.26 -4.95 119.74 123.11 2dfs s LYS 115 Ca 0.39 0.99 -0.15 0.00 0.02 0.00 0.00 55.97 57.23 2dfs s LYS 115 Cb -0.17 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2dfs s LYS 115 CO 0.13 -0.28 1.04 -0.51 -0.92 0.00 0.00 175.35 174.81 2dfs s LEU 116 N 1.99 3.43 0.67 3.17 1.43 -0.42 -4.98 118.68 123.97 2dfs s LEU 116 Ca 0.38 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2dfs s LEU 116 Cb -0.17 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 2dfs s LEU 116 CO 0.13 -1.09 1.05 0.42 0.23 0.00 0.00 176.35 177.09 2dfs s THR 117 N -2.66 4.21 0.24 5.49 -4.23 -1.26 -4.19 115.64 113.24 2dfs s THR 117 Ca 0.61 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.77 2dfs s THR 117 Cb -0.14 -3.53 0.23 0.00 1.34 0.00 0.00 72.50 70.40 2dfs s THR 117 CO 0.41 -0.93 1.90 0.44 -0.54 0.00 0.00 174.62 175.90 2dfs h ASP 118 N -0.59 1.10 -0.95 3.99 3.32 -1.97 -2.44 116.42 118.88 2dfs h ASP 118 Ca -0.44 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.57 2dfs h ASP 118 Cb 1.20 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 2dfs h ASP 118 CO 0.58 0.82 0.63 1.05 -1.72 0.00 0.00 179.24 180.60 2dfs h GLU 119 N 1.28 1.25 -0.57 3.56 4.11 -1.98 0.25 114.58 122.48 2dfs h GLU 119 Ca 0.34 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.70 2dfs h GLU 119 Cb -0.11 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.83 2dfs h GLU 119 CO -0.07 0.83 0.38 0.93 0.07 0.00 0.00 179.01 181.14 2dfs h GLU 120 N 1.29 0.74 -0.45 1.06 5.08 -1.93 -0.24 114.58 120.13 2dfs h GLU 120 Ca 0.35 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2dfs h GLU 120 Cb -0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 2dfs h GLU 120 CO -0.08 0.49 0.11 0.28 -1.00 0.00 0.00 179.01 178.82 2dfs h VAL 121 N 0.76 1.23 -0.71 3.13 2.07 -0.87 -0.88 116.25 120.99 2dfs h VAL 121 Ca 0.21 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2dfs h VAL 121 Cb -0.08 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2dfs h VAL 121 CO -0.05 0.29 0.41 0.44 0.02 0.00 0.00 177.57 178.68 2dfs h ASP 122 N 0.60 0.85 -0.48 0.57 3.32 -0.47 -1.11 116.42 119.71 2dfs h ASP 122 Ca 0.14 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2dfs h ASP 122 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2dfs h ASP 122 CO 0.00 0.67 0.12 -0.08 -1.72 0.00 0.00 179.24 178.23 2dfs h GLU 123 N 0.97 0.76 -0.79 3.56 4.81 -0.90 -3.20 114.58 119.79 2dfs h GLU 123 Ca 0.25 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2dfs h GLU 123 Cb -0.01 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2dfs h GLU 123 CO -0.04 0.74 0.35 1.98 -0.73 0.00 0.00 179.01 181.31 2dfs h MET 124 N 0.65 1.16 -0.17 1.92 4.05 -0.61 -2.31 114.93 119.62 2dfs h MET 124 Ca 0.15 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2dfs h MET 124 Cb 0.32 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2dfs h MET 124 CO 0.00 0.91 0.00 0.44 0.23 0.00 0.00 176.91 178.49 2dfs n ILE 125 N -4.30 0.00 0.30 1.77 -5.35 -0.47 -1.47 119.36 109.84 2dfs n ILE 125 Ca 0.08 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.68 2dfs n ILE 125 Cb 0.16 -0.09 0.15 0.00 -1.74 0.00 0.00 39.64 38.12 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 0.00 6.28 3.08 -1.42 -3.38 114.38 118.95 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2dfs h ARG 126 CO 0.00 0.00 -0.10 -0.85 -1.07 0.00 0.00 179.97 177.95 2dfs n GLU 127 N -2.70 1.18 -4.90 0.04 0.28 -0.54 -4.99 120.64 109.00 2dfs n GLU 127 Ca 0.03 -2.02 -0.33 0.00 -0.16 0.00 0.00 57.16 54.68 2dfs n GLU 127 Cb 0.51 -1.18 -0.16 0.00 1.43 0.00 0.00 31.44 32.03 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 -1.92 2.36 0.26 -1.84 0.00 -1.11 -5.01 121.76 114.50 2dfs s ALA 128 Ca 0.20 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.87 2dfs s ALA 128 Cb 0.17 -1.02 -0.12 0.00 0.00 0.00 0.00 23.12 22.16 2dfs s ALA 128 CO 0.02 0.17 1.63 -0.25 0.00 0.00 0.00 175.76 177.33 2dfs n ASP 129 N 3.70 3.85 -3.80 0.00 8.00 -1.26 -4.88 116.55 122.16 2dfs n ASP 129 Ca -0.19 1.12 -0.17 0.00 0.71 0.00 0.00 54.79 56.26 2dfs n ASP 129 Cb 0.52 -1.58 -0.16 0.00 -0.02 0.00 0.00 41.12 39.88 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 0.35 0.12 0.98 0.53 1.10 -1.26 -4.76 121.20 118.26 2dfs s ILE 130 Ca 0.68 0.13 -0.17 0.00 -0.51 0.00 0.00 60.65 60.79 2dfs s ILE 130 Cb -0.51 -0.23 0.23 0.00 0.15 0.00 0.00 42.46 42.10 2dfs s ILE 130 CO 0.44 0.14 1.16 -0.90 -2.11 0.00 0.00 174.94 173.66 2dfs n ASP 131 N 4.25 -0.62 0.01 4.50 5.68 -0.98 -4.94 116.55 124.45 2dfs n ASP 131 Ca -0.25 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.83 2dfs n ASP 131 Cb 0.50 -0.94 0.55 0.00 -1.14 0.00 0.00 41.12 40.09 2dfs n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dfs n GLY 132 N -3.44 -1.41 0.15 6.12 0.00 -1.26 -2.91 105.19 102.44 2dfs n GLY 132 Ca 0.15 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2dfs n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dfs h ASP 133 N 0.00 0.66 0.00 1.61 3.32 -2.06 -3.48 116.42 116.48 2dfs h ASP 133 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2dfs h ASP 133 Cb 0.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2dfs h ASP 133 CO 0.00 1.46 0.00 0.61 -1.72 0.00 0.00 179.24 179.59 2dfs n GLY 134 N 1.36 1.67 3.72 2.75 0.00 -1.15 -5.06 105.19 108.48 2dfs n GLY 134 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2dfs n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfs s GLN 135 N -0.12 2.47 -0.06 1.61 -0.21 -1.26 -1.59 119.66 120.50 2dfs s GLN 135 Ca 0.00 -1.38 0.01 0.00 0.02 0.00 0.00 55.36 54.02 2dfs s GLN 135 Cb 0.00 -2.26 0.02 0.00 1.00 0.00 0.00 33.01 31.77 2dfs s GLN 135 CO 0.00 0.28 -0.07 0.54 -2.12 0.00 0.00 175.29 173.92 2dfs s VAL 136 N -2.31 0.79 -0.32 1.09 0.11 0.21 -2.32 120.40 117.64 2dfs s VAL 136 Ca 0.34 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.86 2dfs s VAL 136 Cb -0.05 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2dfs s VAL 136 CO 0.22 0.29 2.14 0.21 -3.33 0.00 0.00 175.10 174.62 2dfs s ASN 137 N 0.95 5.35 0.46 3.54 2.47 -1.26 -1.68 114.94 124.76 2dfs s ASN 137 Ca -0.10 1.50 0.26 0.00 0.42 0.00 0.00 52.86 54.94 2dfs s ASN 137 Cb -0.15 -2.51 0.67 0.00 -1.45 0.00 0.00 41.25 37.81 2dfs s ASN 137 CO 0.00 -2.11 1.72 0.10 -3.72 0.00 0.00 177.10 173.10 2dfs h TYR 138 N 15.42 0.00 -0.43 0.43 -0.00 -1.75 -1.52 116.97 129.13 2dfs h TYR 138 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.29 2dfs h TYR 138 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.94 2dfs h TYR 138 CO 0.95 0.07 -0.07 1.49 -0.00 0.00 0.00 178.16 180.59 2dfs h GLU 139 N 0.00 0.81 -0.43 0.10 4.81 -1.90 -1.32 114.58 116.65 2dfs h GLU 139 Ca -0.00 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2dfs h GLU 139 Cb 0.87 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2dfs h GLU 139 CO 0.01 0.91 -0.06 1.49 -0.73 0.00 0.00 179.01 180.64 2dfs h GLU 140 N 0.64 0.79 -0.80 1.92 4.81 -1.89 -2.48 114.58 117.57 2dfs h GLU 140 Ca 0.11 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2dfs h GLU 140 Cb 0.60 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2dfs h GLU 140 CO 0.04 0.89 0.52 0.35 -0.73 0.00 0.00 179.01 180.08 2dfs h PHE 141 N 0.62 0.99 -0.67 0.92 3.57 -1.27 0.67 116.94 121.78 2dfs h PHE 141 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 141 Cb 0.57 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2dfs h PHE 141 CO 0.04 0.59 0.15 -0.39 -2.23 0.00 0.00 178.31 176.48 2dfs h VAL 142 N 1.04 1.26 -0.49 1.41 -1.51 -1.22 -1.93 116.25 114.80 2dfs h VAL 142 Ca 0.31 -0.95 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2dfs h VAL 142 Cb -0.06 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 29.66 2dfs h VAL 142 CO -0.09 0.36 0.23 1.56 -1.23 0.00 0.00 177.57 178.40 2dfs h GLN 143 N 1.01 0.72 -0.46 5.19 4.20 -0.93 -2.28 115.11 122.56 2dfs h GLN 143 Ca 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2dfs h GLN 143 Cb 0.37 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2dfs h GLN 143 CO 0.00 0.62 0.24 0.52 -0.67 0.00 0.00 178.83 179.54 2dfs h MET 144 N 0.66 0.65 -0.04 1.46 2.86 -0.81 -0.72 114.93 118.99 2dfs h MET 144 Ca 0.17 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2dfs h MET 144 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2dfs h MET 144 CO -0.02 0.53 -0.39 0.00 1.06 0.00 0.00 176.91 178.08 2dfs h MET 145 N 0.60 0.08 0.00 1.72 -0.00 -1.30 -2.65 114.93 113.38 2dfs h MET 145 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 2dfs h MET 145 Cb 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2dfs h MET 145 CO -0.02 0.47 -0.56 1.79 -0.00 0.00 0.00 176.91 178.58 2dfs h THR 146 N 0.07 0.00 -3.41 -0.10 1.35 -1.35 -3.47 112.91 106.00 2dfs h THR 146 Ca 0.01 -0.58 -0.53 0.00 -0.55 0.00 0.00 66.41 64.75 2dfs h THR 146 Cb 0.73 1.22 0.09 0.00 -1.73 0.00 0.00 68.15 68.46 2dfs h THR 146 CO 0.05 0.00 0.88 0.00 -0.25 0.00 0.00 175.52 176.20 2dfs s ALA 147 N -3.19 3.73 0.00 6.62 0.00 -0.28 -5.04 121.76 123.60 2dfs s ALA 147 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2dfs s ALA 147 Cb 0.12 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2dfs s ALA 147 CO 0.71 -1.01 0.00 1.17 0.00 0.00 0.00 175.76 176.63