#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfs n GLU 11 N 0.00 1.74 -3.54 0.00 -0.00 -1.26 -4.88 120.64 112.71 2dfs n GLU 11 Ca 0.00 0.63 -0.18 0.00 -0.00 0.00 0.00 57.16 57.61 2dfs n GLU 11 Cb 0.00 -2.41 -0.13 0.00 -0.00 0.00 0.00 31.44 28.90 2dfs n GLU 11 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2dfs s PHE 12 N -1.26 -0.26 0.36 -1.84 0.08 -1.26 -5.01 117.98 108.78 2dfs s PHE 12 Ca 0.65 0.33 0.03 0.00 0.12 0.00 0.00 56.93 58.06 2dfs s PHE 12 Cb -0.47 -0.33 0.66 0.00 -0.57 0.00 0.00 43.02 42.31 2dfs s PHE 12 CO 0.54 -0.53 2.01 -0.22 -0.10 0.00 0.00 175.22 176.92 2dfs h LYS 13 N 8.32 0.81 -0.81 0.44 3.64 -1.99 -2.26 116.57 124.71 2dfs h LYS 13 Ca -0.16 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2dfs h LYS 13 Cb 1.14 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 2dfs h LYS 13 CO 0.25 0.53 0.52 0.93 -2.27 0.00 0.00 179.45 179.41 2dfs h GLU 14 N 0.83 1.08 -0.47 1.90 5.08 -1.98 -1.40 114.58 119.62 2dfs h GLU 14 Ca 0.23 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2dfs h GLU 14 Cb -0.07 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 2dfs h GLU 14 CO -0.05 0.73 -0.15 0.00 -1.00 0.00 0.00 179.01 178.53 2dfs h ALA 15 N 1.28 0.85 -0.78 3.43 0.00 -1.90 -2.70 119.26 119.45 2dfs h ALA 15 Ca 0.29 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dfs h ALA 15 Cb -0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2dfs h ALA 15 CO -0.06 0.64 0.50 0.35 0.00 0.00 0.00 179.25 180.68 2dfs h PHE 16 N 0.79 0.94 0.00 0.00 3.04 -1.15 -2.16 116.94 118.40 2dfs h PHE 16 Ca 0.12 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2dfs h PHE 16 Cb 0.69 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.89 2dfs h PHE 16 CO 0.04 0.55 0.00 0.45 -2.02 0.00 0.00 178.31 177.33 2dfs n SER 17 N -4.60 0.12 -0.30 0.41 2.88 -0.55 0.20 113.62 111.78 2dfs n SER 17 Ca 0.09 0.53 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2dfs n SER 17 Cb 0.07 -0.56 0.28 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.63 1.27 0.00 2.46 0.00 -0.82 -4.34 117.00 113.93 2dfs n LEU 18 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 56.01 55.66 2dfs n LEU 18 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.49 2dfs n LEU 18 CO 0.13 0.24 -0.34 0.49 0.00 0.00 0.00 177.39 177.91 2dfs n PHE 19 N -0.51 0.00 -1.81 1.96 3.01 -0.48 -4.75 117.46 114.88 2dfs n PHE 19 Ca 0.11 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.18 2dfs n PHE 19 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.37 5.13 0.00 4.37 2.15 0.13 -4.79 116.67 121.29 2dfs s ASP 20 Ca 0.00 0.98 0.13 0.00 0.43 0.00 0.00 52.55 54.09 2dfs s ASP 20 Cb 0.00 -2.52 0.30 0.00 -0.30 0.00 0.00 42.92 40.41 2dfs s ASP 20 CO 0.00 -2.37 1.21 0.29 -0.17 0.00 0.00 175.17 174.13 2dfs n LYS 21 N 8.92 2.35 0.00 4.34 4.01 -1.26 -4.50 118.16 132.03 2dfs n LYS 21 Ca 0.28 -1.95 0.01 0.00 -0.51 0.00 0.00 58.31 56.14 2dfs n LYS 21 Cb 0.51 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2dfs n ASP 22 N 0.73 0.77 0.00 4.39 9.92 -1.26 -4.95 116.55 126.16 2dfs n ASP 22 Ca 0.12 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 2dfs n ASP 22 Cb 0.43 0.36 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 2dfs n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dfs n GLY 23 N 0.45 0.31 0.22 0.44 0.00 -1.26 -4.80 105.19 100.55 2dfs n GLY 23 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 0.33 0.00 1.61 -0.00 -1.94 -3.47 116.42 112.95 2dfs h ASP 24 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 2dfs h ASP 24 Cb 0.37 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 2dfs h ASP 24 CO 0.00 0.64 0.00 0.61 -0.00 0.00 0.00 179.24 180.49 2dfs n GLY 25 N -0.35 0.65 3.41 -0.78 0.00 -1.26 -5.08 105.19 101.78 2dfs n GLY 25 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.08 2.14 0.15 2.61 -4.23 -1.26 -4.08 115.64 108.90 2dfs s THR 26 Ca 0.00 -2.28 0.08 0.00 -1.18 0.00 0.00 61.69 58.31 2dfs s THR 26 Cb 0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2dfs s THR 26 CO 0.00 -0.46 -0.18 0.27 -0.54 0.00 0.00 174.62 173.71 2dfs s ILE 27 N -2.61 1.77 0.36 2.99 -4.36 -0.13 -4.59 121.20 114.63 2dfs s ILE 27 Ca 0.26 -1.85 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 2dfs s ILE 27 Cb -0.04 -1.78 -0.11 0.00 1.25 0.00 0.00 42.46 41.78 2dfs s ILE 27 CO 0.11 -0.28 1.48 0.35 0.24 0.00 0.00 174.94 176.83 2dfs n THR 28 N 0.43 1.90 0.06 8.37 -2.24 -1.26 -0.60 114.28 120.94 2dfs n THR 28 Ca -0.14 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2dfs n THR 28 Cb 0.56 -1.92 0.60 0.00 -2.10 0.00 0.00 70.33 67.47 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 2.94 0.90 0.00 4.28 1.35 -1.73 -0.00 112.91 120.64 2dfs h THR 29 Ca -0.50 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2dfs h THR 29 Cb 1.25 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2dfs h THR 29 CO 0.65 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 176.24 2dfs n LYS 30 N -4.46 0.10 -0.18 4.72 4.76 -1.26 -2.27 118.16 119.56 2dfs n LYS 30 Ca 0.05 0.27 0.09 0.00 -2.87 0.00 0.00 58.31 55.85 2dfs n LYS 30 Cb 0.33 -1.66 0.26 0.00 -1.84 0.00 0.00 35.03 32.12 2dfs n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2dfs n GLU 31 N -1.84 2.08 -0.29 1.97 -0.58 -0.01 -4.36 120.64 117.59 2dfs n GLU 31 Ca 0.04 -1.65 -0.01 0.00 -0.42 0.00 0.00 57.16 55.12 2dfs n GLU 31 Cb 0.25 -1.41 0.17 0.00 -0.57 0.00 0.00 31.44 29.88 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 2.96 1.01 -0.50 -4.62 5.85 -1.53 -1.26 115.31 117.21 2dfs h LEU 32 Ca 0.00 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 2dfs h LEU 32 Cb 0.66 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dfs h LEU 32 CO 0.00 0.75 -0.59 1.23 -0.34 0.00 0.00 178.44 179.49 2dfs h GLY 33 N 1.19 0.55 1.35 3.75 0.00 -1.83 -2.34 103.07 105.74 2dfs h GLY 33 Ca 0.31 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2dfs h GLY 33 CO -0.06 0.60 -0.40 -0.91 0.00 0.00 0.00 176.54 175.76 2dfs h THR 34 N 0.38 1.29 -0.58 4.70 1.35 -1.82 -2.68 112.91 115.55 2dfs h THR 34 Ca -0.00 -1.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.23 2dfs h THR 34 Cb 1.14 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 2dfs h THR 34 CO 0.11 0.51 0.18 1.62 -0.25 0.00 0.00 175.52 177.69 2dfs h VAL 35 N 0.58 1.24 -0.88 6.82 3.04 -1.12 -0.85 116.25 125.08 2dfs h VAL 35 Ca 0.05 -0.81 0.05 0.00 -1.01 0.00 0.00 66.70 64.97 2dfs h VAL 35 Cb 0.95 0.67 -0.06 0.00 -2.01 0.00 0.00 31.29 30.84 2dfs h VAL 35 CO 0.09 0.31 0.56 0.24 -1.01 0.00 0.00 177.57 177.76 2dfs h MET 36 N 0.82 1.03 -0.21 4.17 2.86 -1.48 -1.70 114.93 120.43 2dfs h MET 36 Ca 0.19 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2dfs h MET 36 Cb 0.28 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2dfs h MET 36 CO -0.01 0.68 0.00 0.54 1.06 0.00 0.00 176.91 179.19 2dfs n ARG 37 N -4.56 1.57 -0.02 1.72 1.74 -1.01 -2.15 116.66 113.95 2dfs n ARG 37 Ca 0.12 -0.88 0.04 0.00 -0.77 0.00 0.00 57.85 56.36 2dfs n ARG 37 Cb 0.13 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.19 2dfs n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dfs n SER 38 N 0.16 1.61 -0.03 0.55 2.88 -0.35 -4.55 113.62 113.89 2dfs n SER 38 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 2dfs n SER 38 Cb 0.23 1.45 -0.11 0.00 -0.75 0.00 0.00 64.21 65.03 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 0.00 -0.01 0.00 2.46 5.85 -1.15 -3.50 115.31 118.96 2dfs h LEU 39 Ca -0.10 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.93 2dfs h LEU 39 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2dfs h LEU 39 CO 0.01 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 179.41 2dfs n GLY 40 N 0.86 -1.94 0.00 3.75 0.00 -0.91 -5.07 105.19 101.88 2dfs n GLY 40 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2dfs n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dfs n GLN 41 N 0.00 0.00 -1.32 1.61 6.02 -1.19 -4.32 117.38 118.18 2dfs n GLN 41 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2dfs n GLN 41 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 2dfs n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2dfs n ASN 42 N 0.00 5.51 -4.53 1.08 3.02 -1.15 -3.48 115.26 115.70 2dfs n ASN 42 Ca 0.00 -3.74 -0.36 0.00 -0.03 0.00 0.00 54.58 50.45 2dfs n ASN 42 Cb 0.00 -0.81 0.08 0.00 -0.61 0.00 0.00 39.78 38.44 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 -0.99 0.39 -0.87 3.52 -0.04 -1.26 -5.00 135.00 130.76 2dfs n PRO 43 Ca 0.56 0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 2dfs n PRO 43 Cb 1.04 -2.01 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2dfs n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dfs s THR 44 N -1.87 2.33 0.25 0.52 -4.23 -1.26 -4.92 115.64 106.46 2dfs s THR 44 Ca 0.69 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 2dfs s THR 44 Cb -0.35 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2dfs s THR 44 CO 0.54 -0.14 1.64 -0.33 -0.54 0.00 0.00 174.62 175.80 2dfs h GLU 45 N -1.94 0.48 -0.02 3.99 4.39 -1.97 -2.82 114.58 116.69 2dfs h GLU 45 Ca -0.51 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 58.98 2dfs h GLU 45 Cb 1.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 2dfs h GLU 45 CO 0.49 0.78 -0.07 0.00 -1.16 0.00 0.00 179.01 179.05 2dfs h ALA 46 N 1.20 -0.06 -0.85 3.43 0.00 -1.99 -1.39 119.26 119.60 2dfs h ALA 46 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2dfs h ALA 46 Cb 0.83 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2dfs h ALA 46 CO 0.07 -0.56 0.54 0.93 0.00 0.00 0.00 179.25 180.23 2dfs h GLU 47 N -0.12 1.00 -0.69 0.00 5.08 -1.93 0.68 114.58 118.60 2dfs h GLU 47 Ca 0.04 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dfs h GLU 47 Cb 0.17 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2dfs h GLU 47 CO -0.09 0.66 0.45 1.25 -1.00 0.00 0.00 179.01 180.28 2dfs h LEU 48 N 1.04 0.76 -0.43 1.33 5.85 -1.39 -0.47 115.31 122.00 2dfs h LEU 48 Ca 0.35 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 2dfs h LEU 48 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2dfs h LEU 48 CO -0.13 0.54 -0.15 1.56 -0.34 0.00 0.00 178.44 179.92 2dfs h GLN 49 N 0.90 0.86 -0.49 1.25 1.08 -0.22 -2.40 115.11 116.09 2dfs h GLN 49 Ca 0.26 -0.35 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2dfs h GLN 49 Cb -0.06 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2dfs h GLN 49 CO -0.07 0.99 0.28 -0.44 -0.95 0.00 0.00 178.83 178.63 2dfs h ASP 50 N 0.68 0.43 -0.64 1.46 3.32 -0.73 0.14 116.42 121.07 2dfs h ASP 50 Ca 0.10 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2dfs h ASP 50 Cb 0.70 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2dfs h ASP 50 CO 0.05 0.30 0.38 0.24 -1.72 0.00 0.00 179.24 178.50 2dfs h MET 51 N 0.55 0.71 -0.50 3.56 2.86 -1.03 -0.55 114.93 120.53 2dfs h MET 51 Ca 0.20 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2dfs h MET 51 Cb 0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2dfs h MET 51 CO -0.11 0.47 0.06 0.82 1.06 0.00 0.00 176.91 179.21 2dfs h ILE 52 N 0.74 1.25 0.00 -1.22 2.04 -1.20 -3.28 117.51 115.84 2dfs h ILE 52 Ca 0.27 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2dfs h ILE 52 Cb 0.08 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2dfs h ILE 52 CO -0.13 0.35 0.00 -1.13 0.00 0.00 0.00 178.15 177.24 2dfs h ASN 53 N 0.72 0.00 -0.18 1.72 -0.00 0.09 -2.61 115.58 115.32 2dfs h ASN 53 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2dfs h ASN 53 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 2dfs h ASN 53 CO 0.01 0.00 0.00 -1.84 -0.00 0.00 0.00 177.43 175.60 2dfs n GLU 54 N -3.05 1.64 -4.71 6.67 0.28 -0.29 -4.70 120.64 116.48 2dfs n GLU 54 Ca 0.02 -0.97 -0.30 0.00 -0.16 0.00 0.00 57.16 55.74 2dfs n GLU 54 Cb 0.38 -1.34 -0.13 0.00 1.43 0.00 0.00 31.44 31.77 2dfs n GLU 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dfs s VAL 55 N -1.77 2.46 0.00 3.84 0.11 -0.98 -5.02 120.40 119.04 2dfs s VAL 55 Ca 0.29 -1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2dfs s VAL 55 Cb 0.15 -2.02 -0.15 0.00 -1.53 0.00 0.00 36.38 32.83 2dfs s VAL 55 CO 0.23 0.31 2.42 -0.90 -3.33 0.00 0.00 175.10 173.83 2dfs n ASP 56 N 1.53 3.67 -1.16 3.54 5.75 -1.26 -4.11 116.55 124.51 2dfs n ASP 56 Ca -0.17 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2dfs n ASP 56 Cb 0.52 -0.95 0.15 0.00 -1.03 0.00 0.00 41.12 39.81 2dfs n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dfs n ALA 57 N 2.45 3.21 -0.19 2.12 0.00 -1.26 -4.53 120.51 122.30 2dfs n ALA 57 Ca 0.24 -0.86 -0.06 0.00 0.00 0.00 0.00 53.44 52.76 2dfs n ALA 57 Cb 0.58 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 2dfs n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dfs h ASP 58 N 1.38 -1.26 -0.26 0.00 3.58 -1.88 -1.21 116.42 116.79 2dfs h ASP 58 Ca 0.05 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2dfs h ASP 58 Cb 1.24 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.89 2dfs h ASP 58 CO 0.25 -0.32 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 2dfs n GLY 59 N -1.42 1.13 3.66 -0.78 0.00 -1.26 -4.95 105.19 101.56 2dfs n GLY 59 Ca 0.03 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.61 7.02 0.23 1.61 -0.87 -0.46 -4.92 114.94 115.94 2dfs s ASN 60 Ca 0.35 1.56 0.15 0.00 -1.57 0.00 0.00 52.86 53.35 2dfs s ASN 60 Cb 0.21 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 2dfs s ASN 60 CO 0.30 -0.71 1.31 1.23 -2.57 0.00 0.00 177.10 176.66 2dfs h GLY 61 N 9.51 0.00 -2.88 0.66 0.00 -1.93 -3.45 103.07 104.99 2dfs h GLY 61 Ca -0.24 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 2dfs h GLY 61 CO 0.97 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 176.34 2dfs s THR 62 N -2.94 0.33 -0.03 4.70 -4.23 -1.26 -2.18 115.64 110.04 2dfs s THR 62 Ca 0.02 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 2dfs s THR 62 Cb 0.08 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2dfs s THR 62 CO 0.76 -0.56 -0.17 0.27 -0.54 0.00 0.00 174.62 174.39 2dfs s ILE 63 N -3.88 1.37 0.62 2.99 -4.36 0.24 -4.76 121.20 113.41 2dfs s ILE 63 Ca 0.21 -0.71 -0.05 0.00 -0.26 0.00 0.00 60.65 59.84 2dfs s ILE 63 Cb 0.07 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.65 2dfs s ILE 63 CO 0.01 0.39 0.91 -0.62 0.24 0.00 0.00 174.94 175.87 2dfs s ASP 64 N -0.16 5.29 0.09 4.36 2.15 -1.26 -0.96 116.67 126.18 2dfs s ASP 64 Ca 0.01 0.50 -0.22 0.00 0.43 0.00 0.00 52.55 53.27 2dfs s ASP 64 Cb -0.09 -1.37 -0.12 0.00 -0.30 0.00 0.00 42.92 41.03 2dfs s ASP 64 CO 0.01 -1.24 1.70 0.15 -0.17 0.00 0.00 175.17 175.61 2dfs h PHE 65 N -0.26 0.11 -0.92 -5.34 3.57 -1.99 -2.31 116.94 109.79 2dfs h PHE 65 Ca -0.45 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.31 2dfs h PHE 65 Cb 1.28 -0.04 -0.16 0.00 2.79 0.00 0.00 35.95 39.82 2dfs h PHE 65 CO 0.41 0.13 0.14 -1.35 -2.23 0.00 0.00 178.31 175.41 2dfs h PRO 66 N 0.06 0.09 -0.12 6.41 0.11 -1.96 0.43 132.00 137.02 2dfs h PRO 66 Ca 0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2dfs h PRO 66 Cb 0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2dfs h PRO 66 CO -0.01 0.06 0.03 1.49 -0.21 0.00 0.00 178.00 179.36 2dfs h GLU 67 N 0.09 0.19 -0.93 1.05 4.22 -1.85 -2.08 114.58 115.26 2dfs h GLU 67 Ca 0.58 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 60.00 2dfs h GLU 67 Cb 1.20 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2dfs h GLU 67 CO -0.78 0.35 0.61 0.35 -2.18 0.00 0.00 179.01 177.36 2dfs h PHE 68 N -0.01 1.14 -0.52 0.92 3.57 -1.06 -1.41 116.94 119.59 2dfs h PHE 68 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2dfs h PHE 68 Cb 0.25 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2dfs h PHE 68 CO 0.01 0.66 0.31 -0.07 -2.23 0.00 0.00 178.31 176.99 2dfs h LEU 69 N 1.19 0.51 -0.62 0.59 3.38 -0.83 -1.77 115.31 117.77 2dfs h LEU 69 Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 2dfs h LEU 69 Cb -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2dfs h LEU 69 CO -0.12 0.36 0.18 0.71 0.09 0.00 0.00 178.44 179.67 2dfs h THR 70 N 0.63 1.25 -0.44 0.22 1.35 -0.56 -1.81 112.91 113.54 2dfs h THR 70 Ca 0.21 -0.86 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 2dfs h THR 70 Cb 0.01 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2dfs h THR 70 CO -0.09 0.33 0.21 0.24 -0.25 0.00 0.00 175.52 175.96 2dfs h MET 71 N 0.89 0.64 -0.57 4.72 2.86 -1.25 -1.33 114.93 120.90 2dfs h MET 71 Ca 0.20 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 2dfs h MET 71 Cb 0.31 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2dfs h MET 71 CO -0.00 0.55 0.09 0.00 1.06 0.00 0.00 176.91 178.60 2dfs h MET 72 N 0.58 0.91 -0.59 1.72 -0.00 -1.23 -1.84 114.93 114.47 2dfs h MET 72 Ca 0.15 -0.22 -0.09 0.00 -0.00 0.00 0.00 59.70 59.54 2dfs h MET 72 Cb 0.12 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2dfs h MET 72 CO -0.02 0.85 0.03 0.00 -0.00 0.00 0.00 176.91 177.76 2dfs h ALA 73 N 1.23 0.80 -0.86 -3.00 0.00 -1.21 -0.08 119.26 116.14 2dfs h ALA 73 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2dfs h ALA 73 Cb 0.39 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2dfs h ALA 73 CO 0.01 0.61 0.50 -0.09 0.00 0.00 0.00 179.25 180.28 2dfs h ARG 74 N 0.93 1.18 -0.29 0.00 2.43 -1.11 -3.26 114.38 114.25 2dfs h ARG 74 Ca 0.17 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2dfs h ARG 74 Cb 0.52 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2dfs h ARG 74 CO 0.03 0.84 0.00 1.63 -1.51 0.00 0.00 179.97 180.95 2dfs n LYS 75 N -4.35 2.96 -0.30 0.20 4.76 -0.70 -4.77 118.16 115.95 2dfs n LYS 75 Ca 0.09 -2.65 0.07 0.00 -2.87 0.00 0.00 58.31 52.96 2dfs n LYS 75 Cb 0.08 -1.71 0.22 0.00 -1.84 0.00 0.00 35.03 31.78 2dfs n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dfs h MET 76 N 1.92 0.67 -0.64 1.97 -0.00 -1.05 -2.03 114.93 115.76 2dfs h MET 76 Ca 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 2dfs h MET 76 Cb 1.27 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 32.69 2dfs h MET 76 CO 0.17 0.44 0.29 -0.22 -0.00 0.00 0.00 176.91 177.59 2dfs h LYS 77 N 0.69 0.93 -0.18 -0.10 3.64 -1.86 0.87 116.57 120.56 2dfs h LYS 77 Ca 0.46 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 2dfs h LYS 77 Cb 0.61 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2dfs h LYS 77 CO -0.34 0.76 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.52 2dfs h ASP 78 N 0.88 0.87 -0.53 4.20 3.32 -1.78 -2.97 116.42 120.41 2dfs h ASP 78 Ca 0.22 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 2dfs h ASP 78 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2dfs h ASP 78 CO -0.02 1.33 0.03 0.71 -1.72 0.00 0.00 179.24 179.56 2dfs h THR 79 N 0.46 1.26 -0.67 0.35 1.35 -1.23 -3.08 112.91 111.36 2dfs h THR 79 Ca -0.03 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2dfs h THR 79 Cb 1.27 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 2dfs h THR 79 CO 0.13 0.38 0.42 0.44 -0.25 0.00 0.00 175.52 176.65 2dfs h ASP 80 N 0.80 0.79 -0.35 5.36 3.32 -0.90 -2.24 116.42 123.20 2dfs h ASP 80 Ca 0.15 -0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.27 2dfs h ASP 80 Cb 0.49 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2dfs h ASP 80 CO 0.02 0.59 0.30 -1.28 -1.72 0.00 0.00 179.24 177.15 2dfs h SER 81 N 0.92 0.00 -0.29 6.45 0.87 -1.42 -0.89 113.55 119.18 2dfs h SER 81 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2dfs h SER 81 Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2dfs h SER 81 CO -0.05 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.63 2dfs n GLU 82 N -4.09 2.74 -0.57 2.24 -0.58 -0.84 -2.83 120.64 116.71 2dfs n GLU 82 Ca 0.06 -1.50 0.01 0.00 -0.42 0.00 0.00 57.16 55.31 2dfs n GLU 82 Cb 0.47 -1.79 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.34 0.07 -0.04 3.49 0.28 -0.35 -2.93 120.64 121.50 2dfs n GLU 83 Ca 0.13 -1.17 -0.15 0.00 -0.16 0.00 0.00 57.16 55.82 2dfs n GLU 83 Cb 0.65 -0.51 -0.09 0.00 1.43 0.00 0.00 31.44 32.93 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 0.09 0.34 -7.04 3.44 4.22 -1.45 -3.48 114.58 110.70 2dfs h GLU 84 Ca -0.02 -0.25 -0.54 0.00 0.08 0.00 0.00 59.36 58.63 2dfs h GLU 84 Cb 1.42 0.04 0.12 0.00 0.50 0.00 0.00 28.75 30.84 2dfs h GLU 84 CO 0.01 0.88 0.58 0.96 -2.18 0.00 0.00 179.01 179.25 2dfs s ILE 85 N -3.76 2.28 0.00 2.32 -4.36 -1.26 -4.94 121.20 111.48 2dfs s ILE 85 Ca -0.14 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 2dfs s ILE 85 Cb 0.04 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.65 2dfs s ILE 85 CO 0.77 -0.01 0.00 -2.11 0.24 0.00 0.00 174.94 173.83 2dfs n ARG 86 N -1.00 5.18 -4.32 0.37 1.85 -1.26 -5.10 116.66 112.39 2dfs n ARG 86 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.78 2dfs n ARG 86 Cb 0.46 -0.43 -0.10 0.00 -1.05 0.00 0.00 32.46 31.34 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 1.25 -0.22 2.89 1.03 -1.26 -5.12 118.70 117.26 2dfs s GLU 87 Ca 0.00 -1.54 -0.03 0.00 0.03 0.00 0.00 54.97 53.42 2dfs s GLU 87 Cb 0.00 -0.97 0.12 0.00 -0.80 0.00 0.00 34.13 32.47 2dfs s GLU 87 CO 0.00 0.15 0.34 0.00 -1.33 0.00 0.00 175.26 174.43 2dfs s ALA 88 N -3.06 -0.89 0.61 -0.84 0.00 -1.26 -5.15 121.76 111.16 2dfs s ALA 88 Ca 0.21 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 2dfs s ALA 88 Cb 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2dfs s ALA 88 CO 0.05 -1.17 0.89 -0.59 0.00 0.00 0.00 175.76 174.94 2dfs s PHE 89 N 2.50 3.04 0.00 0.00 -0.71 -1.26 -5.06 117.98 116.50 2dfs s PHE 89 Ca 0.10 0.38 0.00 0.00 -1.04 0.00 0.00 56.93 56.37 2dfs s PHE 89 Cb -0.15 -2.86 0.00 0.00 -1.21 0.00 0.00 43.02 38.80 2dfs s PHE 89 CO -0.14 -0.99 0.00 0.54 -1.34 0.00 0.00 175.22 173.29 2dfs n ARG 90 N -2.60 3.13 0.00 1.99 5.12 -1.26 -4.98 116.66 118.06 2dfs n ARG 90 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2dfs n ARG 90 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2dfs n ARG 90 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2dfs n VAL 91 N 0.00 0.00 0.00 1.55 3.14 -1.26 -5.04 118.33 116.72 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 -0.22 1.45 3.72 -1.26 -4.94 117.46 116.21 2dfs n PHE 92 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2dfs n PHE 92 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.00 0.00 -0.00 4.37 2.03 -1.26 -4.89 116.55 116.80 2dfs n ASP 93 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2dfs n ASP 93 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2dfs n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dfs n LYS 94 N 0.62 2.48 -0.22 -0.67 4.76 -1.26 -4.27 118.16 119.60 2dfs n LYS 94 Ca 0.00 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.32 2dfs n LYS 94 Cb 0.00 -0.97 0.03 0.00 -1.84 0.00 0.00 35.03 32.24 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dfs h ASP 95 N 0.00 1.05 -0.54 4.39 3.32 -2.00 -3.48 116.42 119.17 2dfs h ASP 95 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2dfs h ASP 95 Cb 0.22 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2dfs h ASP 95 CO 0.00 1.09 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 2dfs n GLY 96 N -0.46 0.83 0.18 2.75 0.00 -1.26 -4.97 105.19 102.26 2dfs n GLY 96 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 1.61 2.35 -1.92 -3.46 115.58 114.15 2dfs h ASN 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2dfs h ASN 97 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 2dfs h ASN 97 CO 0.00 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 2dfs n GLY 98 N 0.21 0.74 3.38 2.83 0.00 -1.26 -5.03 105.19 106.05 2dfs n GLY 98 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.65 2.23 0.01 1.61 2.02 -1.26 -3.15 117.35 116.15 2dfs s TYR 99 Ca 0.00 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2dfs s TYR 99 Cb 0.00 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2dfs s TYR 99 CO 0.00 0.36 -0.01 0.96 -1.57 0.00 0.00 175.55 175.29 2dfs s ILE 100 N -1.23 0.05 0.53 2.71 -4.36 -0.90 -4.69 121.20 113.32 2dfs s ILE 100 Ca 0.15 -0.45 -0.22 0.00 -0.26 0.00 0.00 60.65 59.87 2dfs s ILE 100 Cb -0.09 -0.14 -0.05 0.00 1.25 0.00 0.00 42.46 43.42 2dfs s ILE 100 CO 0.07 -0.25 1.29 -0.94 0.24 0.00 0.00 174.94 175.35 2dfs s SER 101 N -0.72 5.47 0.48 4.36 1.04 -1.26 -0.69 113.70 122.38 2dfs s SER 101 Ca -0.08 2.60 0.13 0.00 0.48 0.00 0.00 55.95 59.08 2dfs s SER 101 Cb -0.05 -2.62 1.11 0.00 0.10 0.00 0.00 66.02 64.56 2dfs s SER 101 CO -0.00 -1.42 2.11 0.00 0.98 0.00 0.00 173.24 174.91 2dfs h ALA 102 N 1.52 1.88 -0.18 5.32 0.00 -1.74 -1.32 119.26 124.75 2dfs h ALA 102 Ca -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dfs h ALA 102 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dfs h ALA 102 CO 0.58 0.11 0.10 0.00 0.00 0.00 0.00 179.25 180.03 2dfs h ALA 103 N 1.90 0.22 -0.45 0.00 0.00 -1.91 -0.10 119.26 118.92 2dfs h ALA 103 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dfs h ALA 103 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2dfs h ALA 103 CO -0.01 -0.25 0.17 0.93 0.00 0.00 0.00 179.25 180.09 2dfs h GLU 104 N 0.19 0.67 -0.45 0.00 5.08 -1.84 -1.49 114.58 116.74 2dfs h GLU 104 Ca 0.06 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dfs h GLU 104 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2dfs h GLU 104 CO -0.01 0.62 0.29 1.25 -1.00 0.00 0.00 179.01 180.15 2dfs h LEU 105 N 0.58 0.53 -0.55 1.33 5.85 -1.20 0.07 115.31 121.92 2dfs h LEU 105 Ca 0.15 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2dfs h LEU 105 Cb 0.20 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2dfs h LEU 105 CO -0.01 0.41 0.24 -0.09 -0.34 0.00 0.00 178.44 178.64 2dfs h ARG 106 N 0.61 0.81 -0.47 1.25 2.43 -1.01 -2.34 114.38 115.65 2dfs h ARG 106 Ca 0.16 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2dfs h ARG 106 Cb -0.04 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 2dfs h ARG 106 CO -0.03 0.69 0.27 1.25 -1.51 0.00 0.00 179.97 180.64 2dfs h HIS 107 N 0.74 0.51 -0.67 2.20 2.76 -0.74 0.24 115.15 120.20 2dfs h HIS 107 Ca 0.18 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 2dfs h HIS 107 Cb 0.17 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2dfs h HIS 107 CO 0.00 0.29 0.16 -0.24 -1.30 0.00 0.00 177.93 176.84 2dfs h VAL 108 N 0.55 1.26 -0.32 5.26 3.04 -0.96 0.70 116.25 125.78 2dfs h VAL 108 Ca 0.19 -0.96 -0.08 0.00 -1.01 0.00 0.00 66.70 64.84 2dfs h VAL 108 Cb 0.03 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 2dfs h VAL 108 CO -0.09 0.36 -0.13 0.24 -1.01 0.00 0.00 177.57 176.94 2dfs h MET 109 N 1.00 0.65 0.00 4.17 2.07 -1.15 -3.23 114.93 118.44 2dfs h MET 109 Ca 0.21 -0.28 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2dfs h MET 109 Cb 0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 2dfs h MET 109 CO 0.00 0.86 -1.10 0.25 1.07 0.00 0.00 176.91 177.99 2dfs n THR 110 N -4.39 0.00 -0.05 2.22 -2.24 0.83 -1.14 114.28 109.51 2dfs n THR 110 Ca -0.03 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 2dfs n THR 110 Cb 0.37 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.61 3.04 -4.88 3.42 2.85 0.22 -4.66 115.26 113.63 2dfs n ASN 111 Ca 0.02 -0.04 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 2dfs n ASN 111 Cb 0.33 -0.17 0.03 0.00 1.24 0.00 0.00 39.78 41.20 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dfs s LEU 112 N -5.66 3.13 0.00 1.20 1.43 -1.09 -4.85 118.68 112.84 2dfs s LEU 112 Ca -0.14 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 2dfs s LEU 112 Cb 0.04 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.18 2dfs s LEU 112 CO 0.23 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.36 2dfs n GLY 113 N -2.79 2.51 2.50 -3.19 0.00 -1.26 -2.87 105.19 100.09 2dfs n GLY 113 Ca 0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2dfs n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfs n GLU 114 N 14.00 2.76 0.00 1.61 1.02 -1.26 -4.98 120.64 133.79 2dfs n GLU 114 Ca 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2dfs n GLU 114 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 0.95 0.00 -2.09 3.49 5.02 -1.14 -4.98 118.16 119.41 2dfs n LYS 115 Ca 0.51 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 2dfs n LYS 115 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.52 2dfs n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dfs s LEU 116 N 0.00 3.60 0.66 -0.35 1.43 -0.29 -4.97 118.68 118.76 2dfs s LEU 116 Ca 0.00 2.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2dfs s LEU 116 Cb 0.00 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 2dfs s LEU 116 CO 0.00 -1.30 1.13 0.42 0.23 0.00 0.00 176.35 176.83 2dfs s THR 117 N -2.10 3.11 0.24 5.49 -4.23 -1.26 -4.31 115.64 112.57 2dfs s THR 117 Ca 0.69 0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 2dfs s THR 117 Cb -0.21 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2dfs s THR 117 CO 0.33 -0.30 1.85 0.44 -0.54 0.00 0.00 174.62 176.40 2dfs h ASP 118 N 0.11 0.83 -1.00 3.99 3.32 -1.97 -2.25 116.42 119.45 2dfs h ASP 118 Ca -0.47 0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.70 2dfs h ASP 118 Cb 1.25 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 2dfs h ASP 118 CO 0.54 0.53 0.63 1.05 -1.72 0.00 0.00 179.24 180.27 2dfs h GLU 119 N 0.96 1.01 -0.47 3.56 4.11 -1.98 0.34 114.58 122.12 2dfs h GLU 119 Ca 0.36 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.67 2dfs h GLU 119 Cb 0.15 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2dfs h GLU 119 CO -0.17 0.67 0.05 0.93 0.07 0.00 0.00 179.01 180.55 2dfs h GLU 120 N 1.04 0.79 -0.58 1.06 5.08 -1.85 -1.73 114.58 118.39 2dfs h GLU 120 Ca 0.48 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2dfs h GLU 120 Cb 0.40 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2dfs h GLU 120 CO -0.24 0.82 0.19 0.28 -1.00 0.00 0.00 179.01 179.06 2dfs h VAL 121 N 0.65 1.24 -0.54 3.13 2.07 -0.75 -1.65 116.25 120.40 2dfs h VAL 121 Ca 0.14 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2dfs h VAL 121 Cb 0.44 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2dfs h VAL 121 CO 0.02 0.30 0.36 0.44 0.02 0.00 0.00 177.57 178.71 2dfs h ASP 122 N 0.82 0.56 -0.36 0.57 5.19 -0.34 -0.64 116.42 122.22 2dfs h ASP 122 Ca 0.19 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2dfs h ASP 122 Cb 0.27 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2dfs h ASP 122 CO -0.01 0.39 0.06 -0.08 -3.12 0.00 0.00 179.24 176.48 2dfs h GLU 123 N 0.65 0.60 0.00 3.56 4.57 -1.00 -2.97 114.58 119.99 2dfs h GLU 123 Ca 0.22 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2dfs h GLU 123 Cb 0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2dfs h GLU 123 CO -0.06 0.67 -0.33 0.52 -1.18 0.00 0.00 179.01 178.63 2dfs h MET 124 N 0.44 0.00 -0.40 1.92 2.86 -0.67 -2.71 114.93 116.38 2dfs h MET 124 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 124 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2dfs h MET 124 CO 0.01 0.33 0.00 0.44 1.06 0.00 0.00 176.91 178.75 2dfs n ILE 125 N -4.04 0.52 -2.19 -1.22 -5.35 -0.31 -4.67 119.36 102.11 2dfs n ILE 125 Ca -0.02 -0.59 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 2dfs n ILE 125 Cb 0.38 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 2dfs n ILE 125 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2dfs s ARG 126 N -1.48 4.41 0.00 6.28 0.52 -1.02 -3.42 118.95 124.24 2dfs s ARG 126 Ca 0.34 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 2dfs s ARG 126 Cb 0.18 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2dfs s ARG 126 CO 0.25 -0.15 0.00 -0.85 0.02 0.00 0.00 175.30 174.57 2dfs n GLU 127 N 1.35 0.00 -1.88 3.54 0.28 -1.26 -4.96 120.64 117.70 2dfs n GLU 127 Ca 0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.59 2dfs n GLU 127 Cb 0.42 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.61 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 -0.37 3.31 0.51 -1.84 0.00 -1.22 -4.97 121.76 117.18 2dfs s ALA 128 Ca 0.00 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 2dfs s ALA 128 Cb 0.00 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 2dfs s ALA 128 CO 0.00 -1.91 1.39 0.34 0.00 0.00 0.00 175.76 175.58 2dfs s ASP 129 N 4.90 5.51 -0.02 0.00 2.15 -1.26 -5.02 116.67 122.93 2dfs s ASP 129 Ca 0.82 2.84 -0.00 0.00 0.43 0.00 0.00 52.55 56.63 2dfs s ASP 129 Cb -0.33 -2.64 0.03 0.00 -0.30 0.00 0.00 42.92 39.68 2dfs s ASP 129 CO 0.34 -1.41 0.03 -0.51 -0.17 0.00 0.00 175.17 173.44 2dfs s ILE 130 N -1.26 -0.01 0.16 4.11 1.10 -1.26 -4.62 121.20 119.42 2dfs s ILE 130 Ca 0.67 0.21 -0.02 0.00 -0.51 0.00 0.00 60.65 60.99 2dfs s ILE 130 Cb -0.42 -0.13 0.04 0.00 0.15 0.00 0.00 42.46 42.10 2dfs s ILE 130 CO 0.51 0.11 0.21 -0.90 -2.11 0.00 0.00 174.94 172.77 2dfs n ASP 131 N 4.28 0.04 0.11 4.50 5.75 -0.93 -4.92 116.55 125.38 2dfs n ASP 131 Ca -0.25 -1.09 0.13 0.00 -0.01 0.00 0.00 54.79 53.57 2dfs n ASP 131 Cb 0.50 -0.16 0.38 0.00 -1.03 0.00 0.00 41.12 40.81 2dfs n ASP 131 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dfs h GLY 132 N -0.27 0.00 1.03 6.12 0.00 -2.02 -3.10 103.07 104.83 2dfs h GLY 132 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2dfs h GLY 132 CO 0.05 0.00 -0.36 -1.80 0.00 0.00 0.00 176.54 174.43 2dfs h ASP 133 N 0.00 0.84 0.00 0.19 -0.00 -2.05 -3.48 116.42 111.92 2dfs h ASP 133 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 2dfs h ASP 133 Cb 0.76 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.85 2dfs h ASP 133 CO 0.00 1.16 0.00 0.61 -0.00 0.00 0.00 179.24 181.01 2dfs n GLY 134 N 0.22 1.85 3.63 -0.78 0.00 -1.17 -5.07 105.19 103.87 2dfs n GLY 134 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 2.30 -0.03 1.61 -0.21 -1.26 -1.94 119.66 120.00 2dfs s GLN 135 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.36 54.41 2dfs s GLN 135 Cb 0.00 -2.36 -0.02 0.00 1.00 0.00 0.00 33.01 31.64 2dfs s GLN 135 CO 0.00 0.49 -0.24 0.54 -2.12 0.00 0.00 175.29 173.95 2dfs s VAL 136 N -1.47 1.95 -0.35 1.09 0.11 0.14 -2.18 120.40 119.69 2dfs s VAL 136 Ca 0.25 -1.04 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 2dfs s VAL 136 Cb -0.10 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2dfs s VAL 136 CO 0.17 0.55 2.08 0.21 -3.33 0.00 0.00 175.10 174.78 2dfs s ASN 137 N -0.45 5.38 0.24 3.54 3.84 -1.26 -2.11 114.94 124.12 2dfs s ASN 137 Ca 0.06 1.38 0.26 0.00 0.21 0.00 0.00 52.86 54.77 2dfs s ASN 137 Cb -0.11 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 38.83 2dfs s ASN 137 CO 0.00 -2.10 1.75 0.10 -2.79 0.00 0.00 177.10 174.06 2dfs h TYR 138 N 15.23 0.00 -0.07 0.43 -0.00 -1.90 -2.12 116.97 128.53 2dfs h TYR 138 Ca -0.34 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.33 2dfs h TYR 138 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 2dfs h TYR 138 CO 0.96 0.00 -0.20 1.49 -0.00 0.00 0.00 178.16 180.41 2dfs h GLU 139 N 0.00 0.26 -0.43 0.10 4.57 -1.89 -1.21 114.58 115.98 2dfs h GLU 139 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2dfs h GLU 139 Cb 0.77 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2dfs h GLU 139 CO 0.00 0.81 0.27 1.49 -1.18 0.00 0.00 179.01 180.40 2dfs h GLU 140 N -0.23 0.58 -0.52 1.92 4.57 -1.94 -0.65 114.58 118.31 2dfs h GLU 140 Ca -0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2dfs h GLU 140 Cb 0.82 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 2dfs h GLU 140 CO 0.04 0.42 0.32 0.35 -1.18 0.00 0.00 179.01 178.96 2dfs h PHE 141 N 0.58 0.67 -0.44 0.92 3.57 -1.43 0.21 116.94 121.02 2dfs h PHE 141 Ca 0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2dfs h PHE 141 Cb -0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2dfs h PHE 141 CO -0.04 0.45 -0.13 -0.39 -2.23 0.00 0.00 178.31 175.97 2dfs h VAL 142 N 0.70 1.26 -0.26 1.41 -1.51 -1.10 -1.97 116.25 114.78 2dfs h VAL 142 Ca 0.19 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.43 2dfs h VAL 142 Cb -0.04 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 2dfs h VAL 142 CO -0.04 0.42 0.11 1.56 -1.23 0.00 0.00 177.57 178.39 2dfs h GLN 143 N 0.73 0.39 -0.76 5.19 4.20 -0.77 -2.81 115.11 121.27 2dfs h GLN 143 Ca 0.12 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2dfs h GLN 143 Cb 0.63 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 2dfs h GLN 143 CO 0.04 0.40 0.50 0.52 -0.67 0.00 0.00 178.83 179.63 2dfs h MET 144 N 0.28 1.01 0.00 1.46 2.86 -0.55 0.21 114.93 120.20 2dfs h MET 144 Ca 0.09 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2dfs h MET 144 Cb 0.15 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2dfs h MET 144 CO -0.01 0.67 -0.00 0.00 1.06 0.00 0.00 176.91 178.63 2dfs h MET 145 N 1.03 0.00 0.00 1.72 -0.00 -1.35 -3.35 114.93 112.98 2dfs h MET 145 Ca 0.28 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.67 2dfs h MET 145 Cb -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.43 2dfs h MET 145 CO -0.06 0.00 -2.19 0.25 -0.00 0.00 0.00 176.91 174.91 2dfs n THR 146 N -3.10 1.20 0.33 -0.10 -2.24 -1.04 -4.65 114.28 104.69 2dfs n THR 146 Ca 0.02 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2dfs n THR 146 Cb 0.37 -1.18 0.62 0.00 -2.10 0.00 0.00 70.33 68.04 2dfs n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfs h ALA 147 N 0.08 1.00 0.00 6.98 0.00 -1.10 -3.51 119.26 122.70 2dfs h ALA 147 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2dfs h ALA 147 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2dfs h ALA 147 CO -0.06 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.82