#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 0.72 -0.16 -0.39 3.07 -2.05 -2.32 117.51 116.38 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 0.56 -0.01 0.00 -0.27 0.00 0.00 36.82 37.11 2dfs h ILE 9 CO 0.00 0.03 0.05 0.00 -1.05 0.00 0.00 178.15 177.17 2dfs h ALA 10 N 1.67 0.21 -0.16 0.16 0.00 -2.05 0.23 119.26 119.32 2dfs h ALA 10 Ca 0.32 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2dfs h ALA 10 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dfs h ALA 10 CO -0.05 -0.16 -0.70 1.49 0.00 0.00 0.00 179.25 179.84 2dfs h GLU 11 N 0.08 0.68 -0.77 0.00 4.57 -1.90 -2.62 114.58 114.62 2dfs h GLU 11 Ca 0.05 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2dfs h GLU 11 Cb 0.24 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 2dfs h GLU 11 CO -0.00 1.13 0.46 0.35 -1.18 0.00 0.00 179.01 179.77 2dfs h PHE 12 N 0.48 1.02 -0.82 0.92 3.57 -1.44 0.79 116.94 121.47 2dfs h PHE 12 Ca -0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2dfs h PHE 12 Cb 1.30 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2dfs h PHE 12 CO 0.07 0.68 0.36 -0.22 -2.23 0.00 0.00 178.31 176.97 2dfs h LYS 13 N 1.06 1.20 -0.60 1.11 3.64 -0.45 0.62 116.57 123.15 2dfs h LYS 13 Ca 0.28 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2dfs h LYS 13 Cb -0.03 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2dfs h LYS 13 CO -0.05 0.95 0.10 1.49 -2.27 0.00 0.00 179.45 179.67 2dfs h GLU 14 N 1.17 0.99 -0.90 1.90 4.22 -1.05 0.27 114.58 121.19 2dfs h GLU 14 Ca 0.28 -0.26 0.06 0.00 0.08 0.00 0.00 59.36 59.51 2dfs h GLU 14 Cb 0.17 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2dfs h GLU 14 CO -0.03 0.93 0.57 0.00 -2.18 0.00 0.00 179.01 178.30 2dfs h ALA 15 N 1.02 1.23 -0.84 2.92 0.00 -0.61 -1.03 119.26 121.96 2dfs h ALA 15 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dfs h ALA 15 Cb 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2dfs h ALA 15 CO 0.01 0.35 0.51 0.35 0.00 0.00 0.00 179.25 180.47 2dfs h PHE 16 N 1.05 1.10 0.00 0.00 3.04 -0.64 -2.78 116.94 118.71 2dfs h PHE 16 Ca 0.39 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.33 2dfs h PHE 16 Cb 0.14 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.29 2dfs h PHE 16 CO -0.02 0.73 0.00 0.45 -2.02 0.00 0.00 178.31 177.45 2dfs n SER 17 N -4.44 0.17 -0.28 0.41 2.88 0.06 -0.42 113.62 112.00 2dfs n SER 17 Ca 0.09 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.27 2dfs n SER 17 Cb 0.05 -0.57 0.12 0.00 -0.75 0.00 0.00 64.21 63.07 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 -1.68 1.37 -0.04 2.46 0.00 -0.50 -4.35 117.00 114.28 2dfs n LEU 18 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 56.01 55.57 2dfs n LEU 18 Cb 0.26 -0.07 -0.09 0.00 0.00 0.00 0.00 43.42 43.53 2dfs n LEU 18 CO 0.21 0.27 -0.78 0.49 0.00 0.00 0.00 177.39 177.58 2dfs n PHE 19 N -0.64 0.00 -1.94 1.96 3.01 -0.22 -4.76 117.46 114.88 2dfs n PHE 19 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.13 2dfs n PHE 19 Cb 0.39 -0.44 -0.03 0.00 -0.01 0.00 0.00 39.48 39.39 2dfs n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2dfs s ASP 20 N -3.99 6.61 -0.10 4.37 2.15 0.43 -4.82 116.67 121.32 2dfs s ASP 20 Ca -0.05 2.47 -0.02 0.00 0.43 0.00 0.00 52.55 55.37 2dfs s ASP 20 Cb 0.05 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 2dfs s ASP 20 CO 0.47 -0.88 -0.11 0.29 -0.17 0.00 0.00 175.17 174.78 2dfs n LYS 21 N 5.57 0.22 -0.21 4.34 4.76 -1.26 -4.65 118.16 126.93 2dfs n LYS 21 Ca 0.16 0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.59 2dfs n LYS 21 Cb 0.41 -1.01 0.03 0.00 -1.84 0.00 0.00 35.03 32.61 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 -0.19 0.88 -0.01 4.39 3.32 -1.93 -3.48 116.42 119.40 2dfs h ASP 22 Ca -0.23 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2dfs h ASP 22 Cb 1.27 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2dfs h ASP 22 CO -0.10 0.87 0.00 0.61 -1.72 0.00 0.00 179.24 178.90 2dfs n GLY 23 N -0.67 1.43 0.66 2.75 0.00 -1.26 -5.00 105.19 103.10 2dfs n GLY 23 Ca 0.03 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2dfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfs n ASP 24 N 0.69 2.07 0.00 1.61 8.00 -1.26 -4.92 116.55 122.74 2dfs n ASP 24 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.81 2dfs n ASP 24 Cb 0.17 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2dfs n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfs n GLY 25 N 1.24 1.18 2.96 0.44 0.00 -1.26 -5.00 105.19 104.75 2dfs n GLY 25 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.46 0.16 0.15 2.61 -4.23 -1.26 -4.12 115.64 105.49 2dfs s THR 26 Ca 0.00 -0.64 0.10 0.00 -1.18 0.00 0.00 61.69 59.96 2dfs s THR 26 Cb 0.00 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 2dfs s THR 26 CO 0.00 -0.31 -0.17 0.27 -0.54 0.00 0.00 174.62 173.87 2dfs s ILE 27 N -0.97 2.81 0.33 2.99 -4.36 -0.17 -4.72 121.20 117.12 2dfs s ILE 27 Ca -0.10 -1.67 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 2dfs s ILE 27 Cb -0.07 -2.33 -0.12 0.00 1.25 0.00 0.00 42.46 41.19 2dfs s ILE 27 CO -0.00 -0.01 1.43 0.35 0.24 0.00 0.00 174.94 176.95 2dfs n THR 28 N 0.47 1.63 0.28 8.37 -2.24 -1.26 -0.74 114.28 120.79 2dfs n THR 28 Ca -0.14 -0.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 2dfs n THR 28 Cb 0.54 -1.75 0.80 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.70 -0.03 4.28 1.35 -1.75 -0.09 112.91 120.28 2dfs h THR 29 Ca -0.47 -0.08 0.01 0.00 -0.55 0.00 0.00 66.41 65.31 2dfs h THR 29 Cb 1.26 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2dfs h THR 29 CO 0.69 0.02 0.03 0.11 -0.25 0.00 0.00 175.52 176.11 2dfs h LYS 30 N 0.00 0.00 -0.60 4.72 1.57 -1.90 -2.73 116.57 117.63 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 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 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 -4.37 2.79 -0.27 3.15 -0.58 -0.05 -4.29 120.64 117.03 2dfs n GLU 31 Ca -0.02 -1.87 -0.04 0.00 -0.42 0.00 0.00 57.16 54.81 2dfs n GLU 31 Cb 0.12 -1.67 0.08 0.00 -0.57 0.00 0.00 31.44 29.40 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 2.69 0.80 -0.21 -4.62 5.85 -1.59 -2.01 115.31 116.21 2dfs h LEU 32 Ca 0.00 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2dfs h LEU 32 Cb 1.03 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.88 2dfs h LEU 32 CO 0.15 0.57 -0.74 1.23 -0.34 0.00 0.00 178.44 179.31 2dfs h GLY 33 N 0.95 0.84 1.10 3.75 0.00 -1.84 -2.18 103.07 105.68 2dfs h GLY 33 Ca 0.29 -1.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 2dfs h GLY 33 CO -0.09 1.02 0.18 -0.91 0.00 0.00 0.00 176.54 176.74 2dfs h THR 34 N 0.53 1.26 -0.70 4.70 1.35 -1.86 -1.43 112.91 116.76 2dfs h THR 34 Ca -0.04 -0.96 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 2dfs h THR 34 Cb 1.36 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 2dfs h THR 34 CO 0.15 0.37 0.20 1.62 -0.25 0.00 0.00 175.52 177.61 2dfs h VAL 35 N 1.06 1.26 -0.46 6.82 3.04 -1.21 0.56 116.25 127.32 2dfs h VAL 35 Ca 0.22 -0.92 0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2dfs h VAL 35 Cb 0.36 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 2dfs h VAL 35 CO 0.00 0.36 0.31 0.24 -1.01 0.00 0.00 177.57 177.47 2dfs h MET 36 N 1.04 0.61 -0.83 4.17 2.86 -1.32 -2.06 114.93 119.41 2dfs h MET 36 Ca 0.22 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2dfs h MET 36 Cb 0.33 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2dfs h MET 36 CO -0.00 0.40 0.37 0.00 1.06 0.00 0.00 176.91 178.74 2dfs h ARG 37 N 0.63 1.21 -0.64 1.72 3.08 -1.11 -2.36 114.38 116.91 2dfs h ARG 37 Ca 0.17 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2dfs h ARG 37 Cb -0.07 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 2dfs h ARG 37 CO -0.04 0.95 0.41 1.03 -1.07 0.00 0.00 179.97 181.26 2dfs h SER 38 N 1.19 0.75 -0.44 7.04 0.87 -0.70 -3.05 113.55 119.21 2dfs h SER 38 Ca 0.28 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2dfs h SER 38 Cb 0.17 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2dfs h SER 38 CO -0.03 0.56 0.23 0.25 -0.53 0.00 0.00 176.83 177.30 2dfs h LEU 39 N 0.87 0.56 0.00 2.23 5.85 -1.20 -3.47 115.31 120.15 2dfs h LEU 39 Ca 0.23 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2dfs h LEU 39 Cb -0.08 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2dfs h LEU 39 CO -0.05 0.51 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 2dfs n GLY 40 N -0.95 0.62 3.71 3.75 0.00 -0.93 -5.08 105.19 106.31 2dfs n GLY 40 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.75 -0.33 1.61 1.11 -0.98 -4.94 119.66 116.89 2dfs s GLN 41 Ca 0.00 0.53 0.15 0.00 0.01 0.00 0.00 55.36 56.05 2dfs s GLN 41 Cb 0.00 -1.77 0.46 0.00 -1.01 0.00 0.00 33.01 30.69 2dfs s GLN 41 CO 0.00 -2.52 1.06 0.09 0.01 0.00 0.00 175.29 173.94 2dfs n ASN 42 N -4.03 2.70 -4.77 5.90 3.02 -1.06 -4.00 115.26 113.03 2dfs n ASN 42 Ca 0.06 -2.90 -0.32 0.00 -0.03 0.00 0.00 54.58 51.38 2dfs n ASN 42 Cb 0.57 -0.47 0.07 0.00 -0.61 0.00 0.00 39.78 39.33 2dfs n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dfs s PRO 43 N -3.46 2.58 0.61 3.52 0.04 -1.26 -4.95 135.00 132.08 2dfs s PRO 43 Ca 0.35 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2dfs s PRO 43 Cb 0.40 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 2dfs s PRO 43 CO -0.03 -1.41 1.16 0.95 0.04 0.00 0.00 177.00 177.71 2dfs s THR 44 N -2.60 2.88 0.38 1.26 -4.23 -1.26 -4.93 115.64 107.15 2dfs s THR 44 Ca 0.64 0.50 0.18 0.00 -1.18 0.00 0.00 61.69 61.83 2dfs s THR 44 Cb -0.19 -3.13 0.17 0.00 1.34 0.00 0.00 72.50 70.69 2dfs s THR 44 CO 0.48 -0.16 1.93 -0.33 -0.54 0.00 0.00 174.62 175.99 2dfs h GLU 45 N 0.66 0.00 -0.22 3.99 4.39 -1.99 -1.70 114.58 119.72 2dfs h GLU 45 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 2dfs h GLU 45 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2dfs h GLU 45 CO 0.55 0.25 0.04 0.00 -1.16 0.00 0.00 179.01 178.70 2dfs h ALA 46 N 1.75 0.29 -0.88 3.43 0.00 -1.99 -1.64 119.26 120.22 2dfs h ALA 46 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2dfs h ALA 46 Cb 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2dfs h ALA 46 CO 0.03 -0.05 0.50 1.49 0.00 0.00 0.00 179.25 181.22 2dfs h GLU 47 N 0.16 1.21 -0.57 0.00 4.81 -1.86 0.23 114.58 118.57 2dfs h GLU 47 Ca 0.07 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2dfs h GLU 47 Cb 0.29 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2dfs h GLU 47 CO 0.00 0.87 0.36 1.25 -0.73 0.00 0.00 179.01 180.76 2dfs h LEU 48 N 1.22 0.61 -0.92 1.64 6.46 -1.37 -2.12 115.31 120.82 2dfs h LEU 48 Ca 0.31 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 2dfs h LEU 48 Cb -0.00 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 2dfs h LEU 48 CO -0.05 0.43 0.14 1.56 -0.62 0.00 0.00 178.44 179.90 2dfs h GLN 49 N 0.73 0.93 0.00 1.25 1.08 0.00 0.54 115.11 119.64 2dfs h GLN 49 Ca 0.22 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dfs h GLN 49 Cb -0.03 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2dfs h GLN 49 CO -0.07 0.84 0.00 -0.25 -0.95 0.00 0.00 178.83 178.39 2dfs n ASP 50 N -4.26 0.74 0.00 1.46 8.00 0.62 -2.84 116.55 120.27 2dfs n ASP 50 Ca 0.04 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.21 2dfs n ASP 50 Cb 0.24 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 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 -2.29 4.45 -0.03 -1.24 0.00 -0.81 -4.60 117.12 112.60 2dfs n MET 51 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 57.70 57.46 2dfs n MET 51 Cb 0.26 -0.62 -0.01 0.00 0.00 0.00 0.00 33.22 32.86 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 1.30 -4.09 3.17 6.09 0.05 -3.44 117.51 120.60 2dfs h ILE 52 Ca 0.00 -1.82 -0.54 0.00 -1.37 0.00 0.00 64.86 61.13 2dfs h ILE 52 Cb 0.01 1.77 0.13 0.00 0.47 0.00 0.00 36.82 39.19 2dfs h ILE 52 CO 0.00 0.58 0.51 0.54 -3.07 0.00 0.00 178.15 176.71 2dfs s ASN 53 N -6.97 5.05 0.00 2.19 2.20 -1.13 -2.67 114.94 113.61 2dfs s ASN 53 Ca -0.09 2.54 0.00 0.00 -0.94 0.00 0.00 52.86 54.37 2dfs s ASN 53 Cb 0.10 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2dfs s ASN 53 CO 0.87 -1.70 0.00 1.21 -2.94 0.00 0.00 177.10 174.54 2dfs n GLU 54 N -1.54 0.00 -0.02 3.55 0.00 -1.26 -4.74 120.64 116.63 2dfs n GLU 54 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.30 2dfs n GLU 54 Cb 0.48 0.00 -0.07 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 0.25 0.00 6.31 3.14 -1.26 -4.56 118.33 122.21 2dfs n VAL 55 Ca 0.00 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2dfs n VAL 55 Cb 0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 -2.03 0.00 0.27 6.55 2.03 -1.26 -3.61 116.55 118.49 2dfs n ASP 56 Ca -0.07 0.50 0.15 0.00 0.52 0.00 0.00 54.79 55.90 2dfs n ASP 56 Cb 0.47 -0.40 0.73 0.00 -0.72 0.00 0.00 41.12 41.20 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 1.10 -0.69 -1.67 0.00 -1.89 -0.30 119.26 113.81 2dfs h ALA 57 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 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 0.11 0.34 0.22 0.00 0.00 0.00 179.25 179.92 2dfs h ASP 58 N 0.00 0.90 0.77 0.00 3.58 -1.71 -3.03 116.42 116.92 2dfs h ASP 58 Ca -0.00 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.14 2dfs h ASP 58 Cb 0.43 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2dfs h ASP 58 CO 0.01 0.77 -0.84 1.23 -2.88 0.00 0.00 179.24 177.53 2dfs h GLY 59 N 0.96 0.05 -3.84 -0.78 0.00 -1.37 -3.47 103.07 94.62 2dfs h GLY 59 Ca 0.24 -0.09 -0.53 0.00 0.00 0.00 0.00 47.33 46.95 2dfs h GLY 59 CO -0.03 0.08 0.70 -1.31 0.00 0.00 0.00 176.54 175.98 2dfs s ASN 60 N -6.81 6.49 0.09 0.19 0.01 -0.22 -4.96 114.94 109.74 2dfs s ASN 60 Ca -0.01 2.86 0.18 0.00 -0.71 0.00 0.00 52.86 55.18 2dfs s ASN 60 Cb 0.11 -2.66 -0.11 0.00 0.41 0.00 0.00 41.25 39.01 2dfs s ASN 60 CO 0.80 -0.75 0.87 0.61 -1.51 0.00 0.00 177.10 177.12 2dfs n GLY 61 N 0.62 -1.26 3.10 0.66 0.00 -1.26 -4.82 105.19 102.24 2dfs n GLY 61 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.02 0.14 -0.04 2.61 -4.23 -1.26 -2.14 115.64 107.69 2dfs s THR 62 Ca -0.02 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2dfs s THR 62 Cb 0.09 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 2dfs s THR 62 CO 0.81 -0.62 -0.17 0.27 -0.54 0.00 0.00 174.62 174.37 2dfs s ILE 63 N -2.58 1.42 0.60 2.99 -4.36 0.08 -4.85 121.20 114.50 2dfs s ILE 63 Ca -0.05 -0.71 -0.08 0.00 -0.26 0.00 0.00 60.65 59.55 2dfs s ILE 63 Cb -0.01 -1.23 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 2dfs s ILE 63 CO -0.05 0.41 0.94 -0.62 0.24 0.00 0.00 174.94 175.86 2dfs s ASP 64 N 0.06 5.78 0.18 4.36 2.15 -1.26 -0.99 116.67 126.94 2dfs s ASP 64 Ca -0.04 0.94 -0.13 0.00 0.43 0.00 0.00 52.55 53.75 2dfs s ASP 64 Cb -0.12 -1.97 0.08 0.00 -0.30 0.00 0.00 42.92 40.62 2dfs s ASP 64 CO 0.02 -1.00 1.80 0.15 -0.17 0.00 0.00 175.17 175.97 2dfs h PHE 65 N -0.22 0.78 -0.86 -5.34 3.57 -2.00 -1.35 116.94 111.52 2dfs h PHE 65 Ca -0.45 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.21 2dfs h PHE 65 Cb 1.24 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 2dfs h PHE 65 CO 0.53 0.55 0.42 -1.00 -2.23 0.00 0.00 178.31 176.58 2dfs h PRO 66 N 0.78 0.53 -0.07 6.41 0.13 -1.96 -0.81 132.00 137.01 2dfs h PRO 66 Ca 0.21 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2dfs h PRO 66 Cb 0.01 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.02 2dfs h PRO 66 CO -0.04 0.35 0.03 1.49 -0.23 0.00 0.00 178.00 179.61 2dfs h GLU 67 N 0.55 0.10 -0.63 0.86 4.22 -1.82 -2.05 114.58 115.81 2dfs h GLU 67 Ca 0.49 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.89 2dfs h GLU 67 Cb 0.78 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2dfs h GLU 67 CO -0.42 0.18 0.29 0.35 -2.18 0.00 0.00 179.01 177.23 2dfs h PHE 68 N -0.00 0.93 -0.76 0.92 3.57 -1.10 -0.24 116.94 120.25 2dfs h PHE 68 Ca 0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dfs h PHE 68 Cb 0.11 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 2dfs h PHE 68 CO -0.04 0.71 0.47 1.25 -2.23 0.00 0.00 178.31 178.47 2dfs h LEU 69 N 0.87 0.90 -0.43 0.59 6.46 -1.14 0.07 115.31 122.63 2dfs h LEU 69 Ca 0.21 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2dfs h LEU 69 Cb 0.15 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 2dfs h LEU 69 CO -0.02 0.69 0.14 0.74 -0.62 0.00 0.00 178.44 179.37 2dfs h THR 70 N 1.05 1.21 -0.50 1.05 2.02 -0.55 -1.92 112.91 115.27 2dfs h THR 70 Ca 0.28 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2dfs h THR 70 Cb -0.06 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2dfs h THR 70 CO -0.05 0.25 0.27 0.24 0.37 0.00 0.00 175.52 176.59 2dfs h MET 71 N 0.55 0.71 -0.70 6.66 2.86 -0.53 -2.08 114.93 122.40 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 0.24 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2dfs h MET 71 CO -0.01 0.56 0.46 1.98 1.06 0.00 0.00 176.91 180.96 2dfs h MET 72 N 0.67 0.93 -0.62 1.72 -1.53 -1.00 -1.73 114.93 113.37 2dfs h MET 72 Ca 0.18 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2dfs h MET 72 Cb 0.07 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2dfs h MET 72 CO -0.03 0.62 0.32 0.00 0.14 0.00 0.00 176.91 177.97 2dfs h ALA 73 N 1.25 0.80 -0.54 0.39 0.00 -1.16 -0.52 119.26 119.48 2dfs h ALA 73 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dfs h ALA 73 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2dfs h ALA 73 CO -0.05 0.34 0.23 -0.09 0.00 0.00 0.00 179.25 179.67 2dfs h ARG 74 N 0.85 0.80 -0.59 0.00 2.43 -1.19 -3.27 114.38 113.41 2dfs h ARG 74 Ca 0.22 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2dfs h ARG 74 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2dfs h ARG 74 CO -0.03 0.69 0.00 1.63 -1.51 0.00 0.00 179.97 180.74 2dfs n LYS 75 N -4.53 2.79 -0.24 0.20 4.76 -0.67 -4.78 118.16 115.69 2dfs n LYS 75 Ca 0.02 -2.44 -0.01 0.00 -2.87 0.00 0.00 58.31 53.02 2dfs n LYS 75 Cb 0.15 -1.46 0.06 0.00 -1.84 0.00 0.00 35.03 31.94 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 3.43 -0.05 -0.73 1.97 4.05 -1.15 -1.60 114.93 120.85 2dfs h MET 76 Ca 0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2dfs h MET 76 Cb 0.89 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.64 2dfs h MET 76 CO 0.00 -0.03 0.42 0.87 0.23 0.00 0.00 176.91 178.39 2dfs h LYS 77 N -0.05 0.72 -0.34 0.39 1.57 -1.87 0.18 116.57 117.17 2dfs h LYS 77 Ca 0.31 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.89 2dfs h LYS 77 Cb 0.54 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dfs h LYS 77 CO -0.73 0.48 -0.40 -0.44 -0.57 0.00 0.00 179.45 177.79 2dfs h ASP 78 N 0.75 0.95 -0.33 0.86 5.19 -1.73 -2.37 116.42 119.73 2dfs h ASP 78 Ca 0.34 -0.48 -0.05 0.00 -0.62 0.00 0.00 57.03 56.21 2dfs h ASP 78 Cb 0.24 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2dfs h ASP 78 CO -0.20 1.24 0.00 0.74 -3.12 0.00 0.00 179.24 177.90 2dfs h THR 79 N 0.68 1.26 -0.52 0.35 2.02 -0.50 -2.94 112.91 113.26 2dfs h THR 79 Ca 0.05 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 2dfs h THR 79 Cb 0.99 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2dfs h THR 79 CO 0.10 0.31 0.18 0.44 0.37 0.00 0.00 175.52 176.91 2dfs h ASP 80 N 0.39 0.70 -0.46 4.18 3.32 -0.71 -2.96 116.42 120.88 2dfs h ASP 80 Ca 0.09 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.13 2dfs h ASP 80 Cb 0.44 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2dfs h ASP 80 CO 0.02 0.65 0.31 -1.28 -1.72 0.00 0.00 179.24 177.22 2dfs h SER 81 N 0.75 0.22 -0.32 6.45 0.87 -1.23 -1.42 113.55 118.86 2dfs h SER 81 Ca 0.17 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 2dfs h SER 81 Cb 0.20 -0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.02 2dfs h SER 81 CO -0.01 0.13 0.23 -0.62 -0.53 0.00 0.00 176.83 176.03 2dfs n GLU 82 N -4.46 1.44 0.00 2.24 -0.58 -1.12 -3.12 120.64 115.04 2dfs n GLU 82 Ca 0.07 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 2dfs n GLU 82 Cb 0.36 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2dfs n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2dfs n GLU 83 N 0.15 1.03 -0.06 3.49 0.28 -0.53 -2.56 120.64 122.43 2dfs n GLU 83 Ca 0.20 -0.83 -0.12 0.00 -0.16 0.00 0.00 57.16 56.25 2dfs n GLU 83 Cb 0.80 -0.70 -0.06 0.00 1.43 0.00 0.00 31.44 32.92 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 0.00 0.35 -6.86 3.44 4.22 -1.68 -3.46 114.58 110.59 2dfs h GLU 84 Ca 0.00 -0.14 -0.53 0.00 0.08 0.00 0.00 59.36 58.78 2dfs h GLU 84 Cb 0.76 -0.02 0.07 0.00 0.50 0.00 0.00 28.75 30.06 2dfs h GLU 84 CO 0.00 0.62 0.71 -1.50 -2.18 0.00 0.00 179.01 176.66 2dfs s ILE 85 N -4.70 2.55 0.00 2.32 2.07 -1.26 -4.88 121.20 117.29 2dfs s ILE 85 Ca -0.14 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 2dfs s ILE 85 Cb 0.06 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 39.32 2dfs s ILE 85 CO 0.74 0.11 0.00 -2.11 -1.91 0.00 0.00 174.94 171.77 2dfs n ARG 86 N 1.17 2.17 -4.36 3.50 1.85 -1.26 -4.92 116.66 114.81 2dfs n ARG 86 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.60 2dfs n ARG 86 Cb 0.41 -0.18 -0.13 0.00 -1.05 0.00 0.00 32.46 31.51 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 0.00 1.34 0.16 2.89 1.03 -1.26 -4.74 118.70 118.11 2dfs s GLU 87 Ca 0.00 -1.33 -0.24 0.00 0.03 0.00 0.00 54.97 53.43 2dfs s GLU 87 Cb 0.00 -1.72 0.06 0.00 -0.80 0.00 0.00 34.13 31.67 2dfs s GLU 87 CO 0.00 0.40 0.79 0.00 -1.33 0.00 0.00 175.26 175.12 2dfs s ALA 88 N -1.25 -1.55 0.16 -0.84 0.00 -1.26 -5.17 121.76 111.86 2dfs s ALA 88 Ca 0.13 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.45 2dfs s ALA 88 Cb -0.09 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2dfs s ALA 88 CO 0.06 -0.91 -0.21 -0.59 0.00 0.00 0.00 175.76 174.11 2dfs s PHE 89 N -3.54 2.00 0.00 0.00 -0.71 -1.26 -5.09 117.98 109.38 2dfs s PHE 89 Ca 0.08 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 2dfs s PHE 89 Cb -0.03 -1.02 0.00 0.00 -1.21 0.00 0.00 43.02 40.76 2dfs s PHE 89 CO -0.02 0.36 0.00 0.54 -1.34 0.00 0.00 175.22 174.76 2dfs n ARG 90 N 0.48 0.00 0.00 1.99 1.74 -1.26 -5.16 116.66 114.45 2dfs n ARG 90 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2dfs n ARG 90 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2dfs n ARG 90 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2dfs n VAL 91 N -0.61 0.00 0.00 1.55 3.14 -1.26 -5.05 118.33 116.10 2dfs n VAL 91 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2dfs n VAL 91 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2dfs n VAL 91 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2dfs n PHE 92 N 0.00 0.00 -4.51 1.45 3.01 -1.26 -4.96 117.46 111.19 2dfs n PHE 92 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 2dfs n PHE 92 Cb 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 2dfs n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2dfs s ASP 93 N -1.78 2.99 -0.08 4.37 2.15 -1.26 -4.91 116.67 118.15 2dfs s ASP 93 Ca 0.00 -0.58 0.17 0.00 0.43 0.00 0.00 52.55 52.57 2dfs s ASP 93 Cb 0.00 -1.38 -0.25 0.00 -0.30 0.00 0.00 42.92 40.99 2dfs s ASP 93 CO 0.00 0.05 0.26 0.29 -0.17 0.00 0.00 175.17 175.60 2dfs n LYS 94 N 4.22 0.83 0.02 4.34 4.01 -1.26 -4.59 118.16 125.74 2dfs n LYS 94 Ca -0.20 -0.10 0.11 0.00 -0.51 0.00 0.00 58.31 57.61 2dfs n LYS 94 Cb 0.51 -1.43 0.06 0.00 -0.51 0.00 0.00 35.03 33.67 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2dfs n ASP 95 N -2.31 0.63 -0.41 4.39 9.92 -1.26 -4.96 116.55 122.55 2dfs n ASP 95 Ca -0.12 -0.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 2dfs n ASP 95 Cb 0.69 0.67 0.00 0.00 -0.64 0.00 0.00 41.12 41.84 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 1.40 0.89 0.25 0.44 0.00 -1.26 -4.98 105.19 101.93 2dfs n GLY 96 Ca 0.03 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 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 0.55 0.00 1.61 2.35 -1.93 -3.47 115.58 114.69 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 0.95 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2dfs h ASN 97 CO 0.00 0.72 0.00 0.61 -1.65 0.00 0.00 177.43 177.11 2dfs n GLY 98 N -0.52 0.73 3.29 2.83 0.00 -1.26 -5.06 105.19 105.19 2dfs n GLY 98 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.50 1.79 0.01 1.61 2.02 -1.26 -1.80 117.35 117.22 2dfs s TYR 99 Ca 0.00 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2dfs s TYR 99 Cb 0.00 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 2dfs s TYR 99 CO 0.00 0.22 -0.02 0.96 -1.57 0.00 0.00 175.55 175.14 2dfs s ILE 100 N -1.30 0.08 0.74 2.71 -4.36 -0.62 -4.59 121.20 113.85 2dfs s ILE 100 Ca 0.08 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 2dfs s ILE 100 Cb -0.09 -0.17 0.04 0.00 1.25 0.00 0.00 42.46 43.49 2dfs s ILE 100 CO 0.05 -0.29 1.11 -0.94 0.24 0.00 0.00 174.94 175.11 2dfs s SER 101 N -0.86 4.58 0.49 4.36 1.04 -1.26 -0.26 113.70 121.80 2dfs s SER 101 Ca -0.09 1.94 0.14 0.00 0.48 0.00 0.00 55.95 58.41 2dfs s SER 101 Cb -0.06 -2.54 1.15 0.00 0.10 0.00 0.00 66.02 64.67 2dfs s SER 101 CO -0.01 -1.98 2.12 0.00 0.98 0.00 0.00 173.24 174.35 2dfs h ALA 102 N -0.73 1.91 -0.29 5.32 0.00 -1.64 -2.30 119.26 121.53 2dfs h ALA 102 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2dfs h ALA 102 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2dfs h ALA 102 CO 0.51 0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.98 2dfs h ALA 103 N 1.92 0.38 -0.09 0.00 0.00 -1.93 -1.83 119.26 117.71 2dfs h ALA 103 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2dfs h ALA 103 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2dfs h ALA 103 CO -0.01 -0.05 0.01 0.93 0.00 0.00 0.00 179.25 180.14 2dfs h GLU 104 N 0.33 0.05 -0.74 0.00 5.08 -1.90 -1.24 114.58 116.15 2dfs h GLU 104 Ca 0.10 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2dfs h GLU 104 Cb 0.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2dfs h GLU 104 CO -0.01 0.03 0.48 1.25 -1.00 0.00 0.00 179.01 179.76 2dfs h LEU 105 N 0.05 0.81 -0.42 1.33 5.85 -1.38 0.12 115.31 121.67 2dfs h LEU 105 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2dfs h LEU 105 Cb 0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2dfs h LEU 105 CO -0.06 0.57 0.25 -0.09 -0.34 0.00 0.00 178.44 178.77 2dfs h ARG 106 N 0.96 0.58 -0.65 1.25 2.43 -1.22 -1.89 114.38 115.83 2dfs h ARG 106 Ca 0.28 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2dfs h ARG 106 Cb -0.05 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 2dfs h ARG 106 CO -0.08 0.44 0.41 0.45 -1.51 0.00 0.00 179.97 179.68 2dfs h HIS 107 N 0.55 0.78 -0.57 2.20 3.86 -0.25 0.13 115.15 121.85 2dfs h HIS 107 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2dfs h HIS 107 Cb 0.02 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 2dfs h HIS 107 CO -0.03 0.47 0.37 0.28 0.86 0.00 0.00 177.93 179.88 2dfs h VAL 108 N 0.83 1.15 0.07 2.45 2.07 -0.70 -1.90 116.25 120.23 2dfs h VAL 108 Ca 0.25 -0.30 -0.28 0.00 0.82 0.00 0.00 66.70 67.19 2dfs h VAL 108 Cb -0.04 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2dfs h VAL 108 CO -0.08 0.15 -1.16 0.24 0.02 0.00 0.00 177.57 176.74 2dfs h MET 109 N 0.77 0.62 0.00 1.57 2.07 -1.01 -3.18 114.93 115.77 2dfs h MET 109 Ca 0.21 -0.76 0.00 0.00 -2.07 0.00 0.00 59.70 57.07 2dfs h MET 109 Cb -0.07 0.24 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 2dfs h MET 109 CO -0.04 1.34 -1.74 0.25 1.07 0.00 0.00 176.91 177.78 2dfs n THR 110 N -3.79 0.08 0.08 2.22 -2.24 0.43 -1.05 114.28 110.00 2dfs n THR 110 Ca -0.12 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.29 2dfs n THR 110 Cb 0.94 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.13 2dfs n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2dfs n ASN 111 N -2.22 1.48 -4.87 3.42 3.02 -0.72 -4.47 115.26 110.91 2dfs n ASN 111 Ca -0.03 -0.11 -0.24 0.00 -0.03 0.00 0.00 54.58 54.18 2dfs n ASN 111 Cb 0.54 1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 41.28 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dfs s LEU 112 N -3.86 3.07 0.00 3.41 1.43 -1.20 -4.92 118.68 116.60 2dfs s LEU 112 Ca -0.04 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2dfs s LEU 112 Cb 0.10 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2dfs s LEU 112 CO 0.61 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.97 2dfs n GLY 113 N -1.60 2.92 3.44 -3.19 0.00 -1.26 -2.82 105.19 102.68 2dfs n GLY 113 Ca 0.01 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.56 0.13 1.61 2.02 -1.26 -5.02 118.70 119.75 2dfs s GLU 114 Ca 0.00 -1.73 -0.33 0.00 0.02 0.00 0.00 54.97 52.93 2dfs s GLU 114 Cb 0.00 -4.85 -0.13 0.00 0.10 0.00 0.00 34.13 29.26 2dfs s GLU 114 CO 0.00 -1.75 1.68 1.63 0.02 0.00 0.00 175.26 176.84 2dfs n LYS 115 N 6.50 2.37 -2.83 1.61 5.02 -1.13 -4.98 118.16 124.73 2dfs n LYS 115 Ca 0.21 0.86 -0.25 0.00 -2.02 0.00 0.00 58.31 57.11 2dfs n LYS 115 Cb 0.49 -2.67 0.01 0.00 -0.02 0.00 0.00 35.03 32.83 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 1.64 3.63 0.58 -0.35 1.43 -0.22 -4.98 118.68 120.41 2dfs s LEU 116 Ca 0.80 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2dfs s LEU 116 Cb -0.62 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.09 2dfs s LEU 116 CO 0.38 -0.66 0.92 0.42 0.23 0.00 0.00 176.35 177.65 2dfs s THR 117 N -2.66 4.15 0.22 5.49 -4.23 -1.26 -4.30 115.64 113.05 2dfs s THR 117 Ca 0.48 0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 2dfs s THR 117 Cb -0.10 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.28 2dfs s THR 117 CO 0.41 -0.71 1.88 0.44 -0.54 0.00 0.00 174.62 176.11 2dfs h ASP 118 N -0.16 0.89 -0.95 3.99 3.32 -1.98 -2.48 116.42 119.06 2dfs h ASP 118 Ca -0.46 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.65 2dfs h ASP 118 Cb 1.23 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 2dfs h ASP 118 CO 0.62 0.63 0.61 1.05 -1.72 0.00 0.00 179.24 180.43 2dfs h GLU 119 N 1.05 1.03 -0.49 3.56 4.11 -1.98 0.27 114.58 122.13 2dfs h GLU 119 Ca 0.31 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 2dfs h GLU 119 Cb -0.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 2dfs h GLU 119 CO -0.09 0.68 0.28 0.93 0.07 0.00 0.00 179.01 180.88 2dfs h GLU 120 N 1.06 0.68 -0.53 1.06 5.08 -1.88 -0.00 114.58 120.04 2dfs h GLU 120 Ca 0.41 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2dfs h GLU 120 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2dfs h GLU 120 CO -0.17 0.53 0.16 0.28 -1.00 0.00 0.00 179.01 178.81 2dfs h VAL 121 N 0.65 1.24 -0.67 3.13 2.07 -0.87 -0.69 116.25 121.11 2dfs h VAL 121 Ca 0.17 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2dfs h VAL 121 Cb 0.04 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2dfs h VAL 121 CO -0.03 0.30 0.26 0.44 0.02 0.00 0.00 177.57 178.56 2dfs h ASP 122 N 0.74 0.91 -0.53 0.57 3.32 -0.46 -0.66 116.42 120.31 2dfs h ASP 122 Ca 0.17 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2dfs h ASP 122 Cb 0.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2dfs h ASP 122 CO -0.00 0.82 0.23 -0.08 -1.72 0.00 0.00 179.24 178.48 2dfs h GLU 123 N 0.97 0.77 -0.60 3.56 4.81 -0.80 -3.19 114.58 120.10 2dfs h GLU 123 Ca 0.23 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2dfs h GLU 123 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2dfs h GLU 123 CO -0.02 0.66 0.27 1.98 -0.73 0.00 0.00 179.01 181.17 2dfs h MET 124 N 0.71 0.85 -0.82 1.92 4.05 -0.80 -2.76 114.93 118.08 2dfs h MET 124 Ca 0.18 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2dfs h MET 124 Cb 0.16 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2dfs h MET 124 CO -0.02 0.68 0.00 0.44 0.23 0.00 0.00 176.91 178.24 2dfs n ILE 125 N -4.34 0.06 1.02 1.77 -5.35 -0.28 -2.33 119.36 109.90 2dfs n ILE 125 Ca 0.05 -0.03 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 2dfs n ILE 125 Cb 0.14 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 2dfs n ILE 125 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dfs n ARG 126 N -0.06 0.86 -0.13 6.28 1.74 -1.04 -4.32 116.66 119.99 2dfs n ARG 126 Ca 0.01 -0.70 0.02 0.00 -0.77 0.00 0.00 57.85 56.42 2dfs n ARG 126 Cb 0.23 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 2dfs n ARG 126 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2dfs n GLU 127 N -0.46 1.15 -4.76 5.56 0.28 -0.99 -5.02 120.64 116.40 2dfs n GLU 127 Ca 0.08 -1.39 -0.33 0.00 -0.16 0.00 0.00 57.16 55.36 2dfs n GLU 127 Cb 0.42 -0.88 -0.16 0.00 1.43 0.00 0.00 31.44 32.26 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 -0.97 2.42 0.23 -1.84 0.00 -1.20 -5.02 121.76 115.37 2dfs s ALA 128 Ca 0.08 -1.00 -0.32 0.00 0.00 0.00 0.00 51.96 50.72 2dfs s ALA 128 Cb 0.07 -1.10 -0.12 0.00 0.00 0.00 0.00 23.12 21.97 2dfs s ALA 128 CO 0.01 0.10 1.68 -0.25 0.00 0.00 0.00 175.76 177.30 2dfs n ASP 129 N 3.82 3.89 -3.85 0.00 8.00 -1.26 -4.91 116.55 122.24 2dfs n ASP 129 Ca -0.19 1.09 -0.18 0.00 0.71 0.00 0.00 54.79 56.21 2dfs n ASP 129 Cb 0.52 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.89 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 0.83 0.32 0.98 0.53 1.10 -1.26 -4.71 121.20 118.99 2dfs s ILE 130 Ca 0.72 0.01 -0.17 0.00 -0.51 0.00 0.00 60.65 60.70 2dfs s ILE 130 Cb -0.52 -0.39 0.23 0.00 0.15 0.00 0.00 42.46 41.94 2dfs s ILE 130 CO 0.37 0.18 1.14 -0.90 -2.11 0.00 0.00 174.94 173.62 2dfs n ASP 131 N 4.13 -0.64 0.18 4.50 5.68 -1.02 -4.95 116.55 124.44 2dfs n ASP 131 Ca -0.25 -1.33 0.05 0.00 -0.50 0.00 0.00 54.79 52.76 2dfs n ASP 131 Cb 0.51 -0.93 0.31 0.00 -1.14 0.00 0.00 41.12 39.86 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 1.00 6.12 0.00 -2.02 -3.12 103.07 103.12 2dfs h GLY 132 Ca -0.39 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2dfs h GLY 132 CO 0.27 0.00 0.12 -0.55 0.00 0.00 0.00 176.54 176.38 2dfs h ASP 133 N 0.00 0.83 0.00 0.19 3.32 -2.06 -3.47 116.42 115.23 2dfs h ASP 133 Ca -0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2dfs h ASP 133 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2dfs h ASP 133 CO 0.05 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 179.04 2dfs n GLY 134 N -0.59 1.77 3.79 2.75 0.00 -1.18 -5.07 105.19 106.66 2dfs n GLY 134 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.10 2.62 -0.05 1.61 -0.21 -1.26 -1.61 119.66 120.66 2dfs s GLN 135 Ca 0.00 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.06 2dfs s GLN 135 Cb 0.00 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.66 2dfs s GLN 135 CO 0.00 0.20 -0.03 0.54 -2.12 0.00 0.00 175.29 173.88 2dfs s VAL 136 N -2.30 0.47 -0.28 1.09 0.11 0.65 -2.42 120.40 117.72 2dfs s VAL 136 Ca 0.37 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 2dfs s VAL 136 Cb -0.05 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 2dfs s VAL 136 CO 0.24 0.23 2.27 -3.20 -3.33 0.00 0.00 175.10 171.31 2dfs n ASN 137 N 4.29 3.05 0.18 3.54 2.85 -1.26 -1.59 115.26 126.31 2dfs n ASN 137 Ca -0.21 0.03 0.13 0.00 -0.11 0.00 0.00 54.58 54.42 2dfs n ASN 137 Cb 0.51 -1.57 0.29 0.00 1.24 0.00 0.00 39.78 40.25 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 16.17 0.00 -0.24 1.20 -0.00 -1.71 -1.68 116.97 130.70 2dfs h TYR 138 Ca -0.37 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.26 2dfs h TYR 138 Cb 1.25 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 -0.22 1.49 -0.00 0.00 0.00 178.16 180.37 2dfs h GLU 139 N 0.00 0.57 -0.56 0.10 4.81 -1.90 -1.43 114.58 116.16 2dfs h GLU 139 Ca 0.00 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2dfs h GLU 139 Cb 0.86 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2dfs h GLU 139 CO 0.00 0.89 0.25 1.49 -0.73 0.00 0.00 179.01 180.91 2dfs h GLU 140 N 0.28 0.83 -0.80 1.92 4.57 -1.91 -2.52 114.58 116.94 2dfs h GLU 140 Ca 0.04 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2dfs h GLU 140 Cb 0.77 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 2dfs h GLU 140 CO 0.06 0.69 0.53 0.35 -1.18 0.00 0.00 179.01 179.46 2dfs h PHE 141 N 0.77 1.00 -0.47 0.92 3.57 -1.30 0.30 116.94 121.73 2dfs h PHE 141 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2dfs h PHE 141 Cb 0.16 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2dfs h PHE 141 CO 0.00 0.63 -0.00 -0.39 -2.23 0.00 0.00 178.31 176.32 2dfs h VAL 142 N 1.08 1.24 -0.40 1.41 -1.51 -1.20 -2.12 116.25 114.75 2dfs h VAL 142 Ca 0.29 -0.99 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 2dfs h VAL 142 Cb -0.12 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 2dfs h VAL 142 CO -0.06 0.35 0.16 1.56 -1.23 0.00 0.00 177.57 178.34 2dfs h GLN 143 N 0.73 0.60 -0.65 5.19 4.20 -0.95 -2.82 115.11 121.41 2dfs h GLN 143 Ca 0.14 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2dfs h GLN 143 Cb 0.45 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2dfs h GLN 143 CO 0.02 0.57 0.38 0.52 -0.67 0.00 0.00 178.83 179.64 2dfs h MET 144 N 0.50 0.89 0.00 1.46 2.86 -0.85 -0.29 114.93 119.51 2dfs h MET 144 Ca 0.13 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2dfs h MET 144 Cb 0.19 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2dfs h MET 144 CO -0.01 0.65 -0.08 0.00 1.06 0.00 0.00 176.91 178.54 2dfs h MET 145 N 0.89 0.00 0.00 1.72 -0.00 -1.38 -2.84 114.93 113.31 2dfs h MET 145 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 2dfs h MET 145 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2dfs h MET 145 CO -0.04 0.08 -1.39 0.25 -0.00 0.00 0.00 176.91 175.81 2dfs n THR 146 N -3.18 0.04 -1.63 -0.10 -2.24 -1.07 -4.94 114.28 101.15 2dfs n THR 146 Ca 0.01 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 2dfs n THR 146 Cb 0.38 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2dfs n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfs n ALA 147 N -1.85 1.65 -0.06 6.98 0.00 -0.13 -5.04 120.51 122.06 2dfs n ALA 147 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dfs n ALA 147 Cb 0.44 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2dfs n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67