#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 2.60 -3.58 0.00 -0.00 -1.26 -4.89 120.64 113.51 2dfs n GLU 11 Ca 0.00 0.91 -0.22 0.00 -0.00 0.00 0.00 57.16 57.86 2dfs n GLU 11 Cb 0.00 -2.64 -0.15 0.00 -0.00 0.00 0.00 31.44 28.64 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 -1.13 -0.04 0.31 -1.84 0.08 -1.26 -5.02 117.98 109.09 2dfs s PHE 12 Ca 0.54 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.62 2dfs s PHE 12 Cb -0.48 -0.50 0.51 0.00 -0.57 0.00 0.00 43.02 41.98 2dfs s PHE 12 CO 0.63 -0.50 1.92 -0.22 -0.10 0.00 0.00 175.22 176.95 2dfs h LYS 13 N 8.37 0.85 -0.69 0.44 3.64 -1.99 -2.37 116.57 124.82 2dfs h LYS 13 Ca -0.15 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2dfs h LYS 13 Cb 1.15 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2dfs h LYS 13 CO 0.26 0.65 0.40 0.93 -2.27 0.00 0.00 179.45 179.42 2dfs h GLU 14 N 0.85 0.96 -0.77 1.90 5.08 -1.96 -0.60 114.58 120.03 2dfs h GLU 14 Ca 0.21 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2dfs h GLU 14 Cb 0.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2dfs h GLU 14 CO -0.03 0.70 0.32 0.00 -1.00 0.00 0.00 179.01 179.00 2dfs h ALA 15 N 1.20 1.00 -0.48 3.43 0.00 -1.91 -2.34 119.26 120.15 2dfs h ALA 15 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dfs h ALA 15 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2dfs h ALA 15 CO -0.04 0.61 0.32 0.35 0.00 0.00 0.00 179.25 180.48 2dfs h PHE 16 N 1.11 0.60 0.00 0.00 3.04 -1.18 -1.79 116.94 118.71 2dfs h PHE 16 Ca 0.26 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2dfs h PHE 16 Cb 0.20 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2dfs h PHE 16 CO 0.02 0.37 0.00 0.45 -2.02 0.00 0.00 178.31 177.13 2dfs n SER 17 N -4.76 0.00 -0.00 0.41 2.88 -0.26 -0.55 113.62 111.34 2dfs n SER 17 Ca 0.02 -0.23 0.08 0.00 -1.33 0.00 0.00 58.87 57.41 2dfs n SER 17 Cb 0.03 -0.06 -0.11 0.00 -0.75 0.00 0.00 64.21 63.32 2dfs n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dfs n LEU 18 N -1.06 0.46 -0.06 2.46 4.77 -0.70 -4.57 117.00 118.30 2dfs n LEU 18 Ca 0.07 -0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 55.54 2dfs n LEU 18 Cb 0.05 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2dfs n LEU 18 CO 0.06 0.12 -0.78 0.49 -1.33 0.00 0.00 177.39 175.95 2dfs n PHE 19 N -1.68 0.99 -1.88 -1.77 3.01 -0.23 -4.67 117.46 111.23 2dfs n PHE 19 Ca 0.01 0.30 -0.42 0.00 1.01 0.00 0.00 57.45 58.34 2dfs n PHE 19 Cb 0.33 -1.12 -0.03 0.00 -0.01 0.00 0.00 39.48 38.66 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 -6.97 6.47 -0.08 4.37 2.15 0.29 -4.84 116.67 118.07 2dfs s ASP 20 Ca -0.27 2.27 -0.00 0.00 0.43 0.00 0.00 52.55 54.98 2dfs s ASP 20 Cb 0.07 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2dfs s ASP 20 CO 0.67 -1.09 -0.07 0.29 -0.17 0.00 0.00 175.17 174.80 2dfs n LYS 21 N 7.45 0.19 -0.27 4.34 5.02 -1.26 -4.62 118.16 129.00 2dfs n LYS 21 Ca 0.19 0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.48 2dfs n LYS 21 Cb 0.43 -1.08 0.06 0.00 -0.02 0.00 0.00 35.03 34.41 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dfs h ASP 22 N -0.06 0.94 0.00 4.39 3.32 -1.95 -3.48 116.42 119.58 2dfs h ASP 22 Ca -0.18 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2dfs h ASP 22 Cb 1.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2dfs h ASP 22 CO -0.05 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 178.87 2dfs n GLY 23 N -1.04 1.02 0.21 2.75 0.00 -1.26 -4.98 105.19 101.89 2dfs n GLY 23 Ca 0.06 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 3.58 -1.95 -3.47 116.42 116.19 2dfs h ASP 24 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dfs h ASP 24 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2dfs h ASP 24 CO 0.00 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 2dfs n GLY 25 N 0.61 0.72 3.17 -0.78 0.00 -1.26 -5.06 105.19 102.59 2dfs n GLY 25 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.55 0.96 0.15 2.61 -4.23 -1.26 -4.12 115.64 107.19 2dfs s THR 26 Ca 0.00 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2dfs s THR 26 Cb 0.00 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 2dfs s THR 26 CO 0.00 -0.51 -0.16 0.27 -0.54 0.00 0.00 174.62 173.68 2dfs s ILE 27 N -2.27 1.56 0.47 2.99 -4.36 -0.21 -4.70 121.20 114.68 2dfs s ILE 27 Ca 0.04 -1.85 -0.24 0.00 -0.26 0.00 0.00 60.65 58.33 2dfs s ILE 27 Cb -0.04 -1.72 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 2dfs s ILE 27 CO 0.00 -0.40 1.40 0.35 0.24 0.00 0.00 174.94 176.53 2dfs n THR 28 N 0.33 3.01 0.29 8.37 -2.24 -1.26 -0.75 114.28 122.02 2dfs n THR 28 Ca -0.14 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.31 2dfs n THR 28 Cb 0.57 -1.78 0.84 0.00 -2.10 0.00 0.00 70.33 67.87 2dfs n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dfs h THR 29 N 2.07 0.00 -0.00 4.28 1.35 -1.71 -1.10 112.91 117.81 2dfs h THR 29 Ca -0.51 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2dfs h THR 29 Cb 1.28 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2dfs h THR 29 CO 0.60 0.00 -0.34 0.29 -0.25 0.00 0.00 175.52 175.82 2dfs n LYS 30 N -2.74 0.04 -0.19 4.72 4.76 -1.26 -3.25 118.16 120.23 2dfs n LYS 30 Ca -0.01 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.51 2dfs n LYS 30 Cb 0.13 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.47 2.10 -0.24 1.97 -0.58 -0.42 -4.35 120.64 117.66 2dfs n GLU 31 Ca 0.06 -1.68 -0.01 0.00 -0.42 0.00 0.00 57.16 55.11 2dfs n GLU 31 Cb 0.34 -1.41 0.20 0.00 -0.57 0.00 0.00 31.44 29.99 2dfs n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dfs h LEU 32 N 3.01 0.92 -0.24 -4.62 5.85 -1.62 -1.14 115.31 117.47 2dfs h LEU 32 Ca 0.00 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.48 2dfs h LEU 32 Cb 0.67 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2dfs h LEU 32 CO 0.00 0.71 -0.58 1.23 -0.34 0.00 0.00 178.44 179.46 2dfs h GLY 33 N 1.09 0.89 1.27 3.75 0.00 -1.85 -2.23 103.07 105.99 2dfs h GLY 33 Ca 0.28 -1.10 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 2dfs h GLY 33 CO -0.05 0.99 -0.17 -0.91 0.00 0.00 0.00 176.54 176.40 2dfs h THR 34 N 0.57 1.27 -0.51 4.70 1.35 -1.84 -1.70 112.91 116.75 2dfs h THR 34 Ca -0.00 -1.28 -0.04 0.00 -0.55 0.00 0.00 66.41 64.53 2dfs h THR 34 Cb 1.20 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 2dfs h THR 34 CO 0.13 0.44 0.17 1.62 -0.25 0.00 0.00 175.52 177.62 2dfs h VAL 35 N 0.75 1.23 -0.50 6.82 3.04 -1.16 0.26 116.25 126.69 2dfs h VAL 35 Ca 0.11 -0.75 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 2dfs h VAL 35 Cb 0.69 0.76 -0.03 0.00 -2.01 0.00 0.00 31.29 30.70 2dfs h VAL 35 CO 0.05 0.28 0.33 0.24 -1.01 0.00 0.00 177.57 177.46 2dfs h MET 36 N 0.69 0.64 -0.07 4.17 2.86 -1.38 -1.82 114.93 120.03 2dfs h MET 36 Ca 0.17 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2dfs h MET 36 Cb 0.26 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2dfs h MET 36 CO -0.01 0.43 -0.45 0.00 1.06 0.00 0.00 176.91 177.94 2dfs h ARG 37 N 0.66 0.17 -0.84 1.72 3.08 -1.23 -2.84 114.38 115.10 2dfs h ARG 37 Ca 0.19 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2dfs h ARG 37 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2dfs h ARG 37 CO -0.05 0.59 0.42 1.03 -1.07 0.00 0.00 179.97 180.88 2dfs h SER 38 N 0.14 1.09 0.10 7.04 0.87 -0.10 -3.28 113.55 119.42 2dfs h SER 38 Ca 0.01 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2dfs h SER 38 Cb 0.85 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2dfs h SER 38 CO 0.07 0.91 -0.05 0.25 -0.53 0.00 0.00 176.83 177.47 2dfs h LEU 39 N 1.20 -0.12 0.00 2.23 5.85 -1.12 -3.48 115.31 119.88 2dfs h LEU 39 Ca 0.29 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2dfs h LEU 39 Cb 0.10 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2dfs h LEU 39 CO -0.04 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 2dfs n GLY 40 N -0.82 1.17 3.47 3.75 0.00 -1.09 -5.07 105.19 106.60 2dfs n GLY 40 Ca -0.08 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.30 -3.13 1.61 6.02 -1.12 -4.92 117.38 115.53 2dfs n GLN 41 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.72 2dfs n GLN 41 Cb 0.00 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.25 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 -1.86 2.50 -4.77 1.08 3.02 -1.26 -3.83 115.26 110.13 2dfs n ASN 42 Ca 0.08 -3.28 -0.39 0.00 -0.03 0.00 0.00 54.58 50.96 2dfs n ASN 42 Cb 0.53 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.66 4.68 0.92 3.52 0.04 -1.26 -4.76 135.00 135.48 2dfs s PRO 43 Ca 0.43 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 2dfs s PRO 43 Cb 0.27 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2dfs s PRO 43 CO -0.10 0.52 0.17 0.25 0.04 0.00 0.00 177.00 177.89 2dfs n THR 44 N 1.45 0.25 -0.06 1.26 -2.24 -1.26 -4.78 114.28 108.90 2dfs n THR 44 Ca -0.04 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2dfs n THR 44 Cb 0.48 -0.50 0.21 0.00 -2.10 0.00 0.00 70.33 68.42 2dfs n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2dfs h GLU 45 N -1.26 0.67 0.12 -0.78 4.39 -1.97 -1.96 114.58 113.80 2dfs h GLU 45 Ca -0.44 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.10 2dfs h GLU 45 Cb 1.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2dfs h GLU 45 CO 0.33 0.71 -0.16 0.00 -1.16 0.00 0.00 179.01 178.73 2dfs h ALA 46 N 1.35 -0.29 -1.00 3.43 0.00 -1.99 -2.02 119.26 118.73 2dfs h ALA 46 Ca 0.13 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2dfs h ALA 46 Cb 0.43 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2dfs h ALA 46 CO 0.02 -0.69 0.66 0.93 0.00 0.00 0.00 179.25 180.16 2dfs h GLU 47 N -0.33 1.25 -0.79 0.00 5.08 -1.88 0.32 114.58 118.23 2dfs h GLU 47 Ca 0.01 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2dfs h GLU 47 Cb 0.34 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2dfs h GLU 47 CO -0.07 0.83 0.50 1.25 -1.00 0.00 0.00 179.01 180.51 2dfs h LEU 48 N 1.29 0.82 -0.37 1.33 5.85 -1.34 -0.38 115.31 122.50 2dfs h LEU 48 Ca 0.39 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 2dfs h LEU 48 Cb -0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2dfs h LEU 48 CO -0.12 0.56 -0.18 1.56 -0.34 0.00 0.00 178.44 179.92 2dfs h GLN 49 N 0.96 0.77 -0.55 1.25 1.08 -0.42 -2.66 115.11 115.56 2dfs h GLN 49 Ca 0.32 -0.34 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2dfs h GLN 49 Cb 0.03 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2dfs h GLN 49 CO -0.12 0.96 0.33 -0.44 -0.95 0.00 0.00 178.83 178.60 2dfs h ASP 50 N 0.56 0.52 -0.64 1.46 3.32 -0.80 0.13 116.42 120.98 2dfs h ASP 50 Ca 0.08 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.17 2dfs h ASP 50 Cb 0.73 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2dfs h ASP 50 CO 0.06 0.37 0.39 0.24 -1.72 0.00 0.00 179.24 178.57 2dfs h MET 51 N 0.64 0.73 -0.54 3.56 2.86 -1.07 -0.95 114.93 120.16 2dfs h MET 51 Ca 0.22 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 51 Cb 0.03 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2dfs h MET 51 CO -0.10 0.48 0.07 0.82 1.06 0.00 0.00 176.91 179.24 2dfs h ILE 52 N 0.75 1.26 0.00 -1.22 2.04 -1.19 -3.28 117.51 115.86 2dfs h ILE 52 Ca 0.26 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2dfs h ILE 52 Cb 0.05 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2dfs h ILE 52 CO -0.12 0.35 0.00 -1.13 0.00 0.00 0.00 178.15 177.26 2dfs h ASN 53 N 0.78 0.00 -0.18 1.72 -0.00 -0.02 -2.68 115.58 115.21 2dfs h ASN 53 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 2dfs h ASN 53 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 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 -3.04 1.65 -4.70 6.67 0.28 -0.43 -4.69 120.64 116.37 2dfs n GLU 54 Ca 0.02 -0.98 -0.30 0.00 -0.16 0.00 0.00 57.16 55.73 2dfs n GLU 54 Cb 0.39 -1.35 -0.13 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.01 -5.02 120.40 119.01 2dfs s VAL 55 Ca 0.30 -1.36 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 2dfs s VAL 55 Cb 0.16 -2.02 -0.17 0.00 -1.53 0.00 0.00 36.38 32.82 2dfs s VAL 55 CO 0.23 0.30 2.57 -0.90 -3.33 0.00 0.00 175.10 173.98 2dfs n ASP 56 N 1.51 3.73 -1.04 3.54 5.75 -1.26 -4.01 116.55 124.78 2dfs n ASP 56 Ca -0.17 -2.17 0.04 0.00 -0.01 0.00 0.00 54.79 52.48 2dfs n ASP 56 Cb 0.52 -0.99 0.20 0.00 -1.03 0.00 0.00 41.12 39.82 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 2.53 2.95 -0.07 2.12 0.00 -1.26 -4.55 120.51 122.23 2dfs n ALA 57 Ca 0.27 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 2dfs n ALA 57 Cb 0.62 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 2dfs n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dfs n ASP 58 N 0.42 -0.17 -0.37 0.00 2.03 -1.26 -1.08 116.55 116.14 2dfs n ASP 58 Ca 0.14 0.63 0.14 0.00 0.52 0.00 0.00 54.79 56.22 2dfs n ASP 58 Cb 0.60 -0.21 0.61 0.00 -0.72 0.00 0.00 41.12 41.39 2dfs n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dfs n GLY 59 N -1.04 -0.24 3.67 0.27 0.00 -1.26 -4.94 105.19 101.65 2dfs n GLY 59 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.02 6.95 0.17 1.61 -0.87 -0.24 -4.92 114.94 115.62 2dfs s ASN 60 Ca 0.39 1.77 0.14 0.00 -1.57 0.00 0.00 52.86 53.59 2dfs s ASN 60 Cb 0.21 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.84 2dfs s ASN 60 CO 0.35 -0.73 1.21 1.23 -2.57 0.00 0.00 177.10 176.59 2dfs h GLY 61 N 9.35 0.00 -2.77 0.66 0.00 -1.92 -3.45 103.07 104.94 2dfs h GLY 61 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.78 2dfs h GLY 61 CO 0.95 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 176.32 2dfs s THR 62 N -2.87 0.52 -0.00 4.70 -4.23 -1.26 -2.04 115.64 110.45 2dfs s THR 62 Ca 0.01 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 2dfs s THR 62 Cb 0.08 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 2dfs s THR 62 CO 0.78 -0.50 -0.20 0.27 -0.54 0.00 0.00 174.62 174.43 2dfs s ILE 63 N -3.76 1.61 0.54 2.99 -4.36 0.07 -4.75 121.20 113.54 2dfs s ILE 63 Ca 0.23 -0.93 -0.01 0.00 -0.26 0.00 0.00 60.65 59.68 2dfs s ILE 63 Cb 0.06 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.44 2dfs s ILE 63 CO 0.03 0.41 0.79 -0.62 0.24 0.00 0.00 174.94 175.78 2dfs s ASP 64 N -0.61 5.44 0.09 4.36 2.15 -1.26 -1.04 116.67 125.80 2dfs s ASP 64 Ca 0.08 0.24 -0.22 0.00 0.43 0.00 0.00 52.55 53.08 2dfs s ASP 64 Cb -0.08 -1.23 -0.13 0.00 -0.30 0.00 0.00 42.92 41.19 2dfs s ASP 64 CO -0.00 -1.05 1.72 0.15 -0.17 0.00 0.00 175.17 175.82 2dfs h PHE 65 N 0.06 0.09 -0.91 -5.34 3.57 -2.00 -2.29 116.94 110.12 2dfs h PHE 65 Ca -0.44 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.31 2dfs h PHE 65 Cb 1.28 -0.03 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2dfs h PHE 65 CO 0.41 0.10 0.17 -1.35 -2.23 0.00 0.00 178.31 175.40 2dfs h PRO 66 N 0.06 0.12 -0.10 6.41 0.11 -1.96 0.53 132.00 137.16 2dfs h PRO 66 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2dfs h PRO 66 Cb 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dfs h PRO 66 CO -0.00 0.08 0.03 1.49 -0.21 0.00 0.00 178.00 179.38 2dfs h GLU 67 N 0.12 0.16 -0.94 1.05 4.22 -1.86 -2.07 114.58 115.26 2dfs h GLU 67 Ca 0.57 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 60.02 2dfs h GLU 67 Cb 1.19 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2dfs h GLU 67 CO -0.75 0.32 0.61 0.35 -2.18 0.00 0.00 179.01 177.37 2dfs h PHE 68 N -0.03 1.15 -0.51 0.92 3.57 -1.02 -1.33 116.94 119.68 2dfs h PHE 68 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2dfs h PHE 68 Cb 0.23 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2dfs h PHE 68 CO 0.00 0.65 0.32 -0.07 -2.23 0.00 0.00 178.31 176.98 2dfs h LEU 69 N 1.18 0.53 -0.62 0.59 3.38 -0.81 -1.83 115.31 117.73 2dfs h LEU 69 Ca 0.38 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 2dfs h LEU 69 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2dfs h LEU 69 CO -0.13 0.38 0.16 0.71 0.09 0.00 0.00 178.44 179.65 2dfs h THR 70 N 0.64 1.25 -0.44 0.22 1.35 -0.54 -1.78 112.91 113.62 2dfs h THR 70 Ca 0.20 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 2dfs h THR 70 Cb -0.01 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2dfs h THR 70 CO -0.07 0.34 0.21 0.24 -0.25 0.00 0.00 175.52 175.98 2dfs h MET 71 N 0.89 0.63 -0.62 4.72 2.86 -1.24 -1.31 114.93 120.86 2dfs h MET 71 Ca 0.19 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2dfs h MET 71 Cb 0.34 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2dfs h MET 71 CO -0.00 0.54 0.13 0.00 1.06 0.00 0.00 176.91 178.63 2dfs h MET 72 N 0.56 0.98 -0.62 1.72 -0.00 -1.25 -1.84 114.93 114.49 2dfs h MET 72 Ca 0.15 -0.23 -0.09 0.00 -0.00 0.00 0.00 59.70 59.53 2dfs h MET 72 Cb 0.12 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 31.56 2dfs h MET 72 CO -0.02 0.89 0.04 0.00 -0.00 0.00 0.00 176.91 177.81 2dfs h ALA 73 N 1.20 0.83 -0.87 -3.00 0.00 -1.21 -0.07 119.26 116.14 2dfs h ALA 73 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dfs h ALA 73 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dfs h ALA 73 CO 0.00 0.64 0.48 -0.09 0.00 0.00 0.00 179.25 180.28 2dfs h ARG 74 N 0.97 1.21 -0.33 0.00 2.43 -1.12 -3.26 114.38 114.28 2dfs h ARG 74 Ca 0.18 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 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 0.02 0.88 0.00 1.63 -1.51 0.00 0.00 179.97 181.00 2dfs n LYS 75 N -4.33 3.11 -0.16 0.20 4.76 -0.70 -4.79 118.16 116.24 2dfs n LYS 75 Ca 0.09 -2.68 -0.03 0.00 -2.87 0.00 0.00 58.31 52.82 2dfs n LYS 75 Cb 0.10 -1.74 0.03 0.00 -1.84 0.00 0.00 35.03 31.58 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 2.16 -0.03 -0.52 1.97 -0.00 -1.05 -2.09 114.93 115.36 2dfs h MET 76 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.78 2dfs h MET 76 Cb 1.32 0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 32.86 2dfs h MET 76 CO 0.19 -0.02 0.18 -0.22 -0.00 0.00 0.00 176.91 177.05 2dfs h LYS 77 N -0.03 0.35 -0.33 -0.10 3.64 -1.86 0.20 116.57 118.43 2dfs h LYS 77 Ca 0.24 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 2dfs h LYS 77 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2dfs h LYS 77 CO -0.53 0.23 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.25 2dfs h ASP 78 N 0.36 0.74 -0.69 4.20 3.32 -1.82 -2.92 116.42 119.61 2dfs h ASP 78 Ca 0.25 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2dfs h ASP 78 Cb 0.28 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2dfs h ASP 78 CO -0.26 1.00 0.22 0.71 -1.72 0.00 0.00 179.24 179.18 2dfs h THR 79 N 0.48 1.25 -0.75 0.35 1.35 -0.68 -2.94 112.91 111.98 2dfs h THR 79 Ca 0.07 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 2dfs h THR 79 Cb 0.73 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 2dfs h THR 79 CO 0.05 0.34 0.39 0.44 -0.25 0.00 0.00 175.52 176.49 2dfs h ASP 80 N 1.01 0.95 -0.49 5.36 3.32 -0.70 -2.98 116.42 122.90 2dfs h ASP 80 Ca 0.22 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.27 2dfs h ASP 80 Cb 0.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2dfs h ASP 80 CO -0.01 0.78 0.33 -1.28 -1.72 0.00 0.00 179.24 177.35 2dfs h SER 81 N 1.06 0.27 0.76 6.45 0.87 -1.32 -0.22 113.55 121.42 2dfs h SER 81 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2dfs h SER 81 Cb 0.06 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2dfs h SER 81 CO -0.04 0.17 0.00 -0.62 -0.53 0.00 0.00 176.83 175.81 2dfs n GLU 82 N -4.46 0.06 -0.19 2.24 -0.58 -1.13 -3.06 120.64 113.52 2dfs n GLU 82 Ca 0.07 0.22 0.06 0.00 -0.42 0.00 0.00 57.16 57.09 2dfs n GLU 82 Cb 0.34 -1.60 0.15 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.72 2.78 -0.03 3.49 0.28 -0.10 -4.56 120.64 120.77 2dfs n GLU 83 Ca 0.04 -2.16 -0.15 0.00 -0.16 0.00 0.00 57.16 54.73 2dfs n GLU 83 Cb 0.25 -1.37 -0.10 0.00 1.43 0.00 0.00 31.44 31.65 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 1.39 0.24 -6.93 3.44 4.22 -1.46 -3.48 114.58 112.00 2dfs h GLU 84 Ca 0.00 -0.21 -0.54 0.00 0.08 0.00 0.00 59.36 58.69 2dfs h GLU 84 Cb 0.87 0.05 0.10 0.00 0.50 0.00 0.00 28.75 30.27 2dfs h GLU 84 CO 0.05 0.88 0.78 0.96 -2.18 0.00 0.00 179.01 179.51 2dfs s ILE 85 N -3.47 2.08 0.00 2.32 -4.36 -1.26 -4.95 121.20 111.56 2dfs s ILE 85 Ca -0.15 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2dfs s ILE 85 Cb 0.02 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.68 2dfs s ILE 85 CO 0.75 0.02 0.00 -2.11 0.24 0.00 0.00 174.94 173.84 2dfs n ARG 86 N 0.65 3.78 -4.33 0.37 1.85 -1.26 -5.09 116.66 112.62 2dfs n ARG 86 Ca 0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.67 2dfs n ARG 86 Cb 0.39 -0.44 -0.11 0.00 -1.05 0.00 0.00 32.46 31.26 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 -0.31 1.28 -0.15 2.89 1.03 -1.26 -5.12 118.70 117.06 2dfs s GLU 87 Ca 0.00 -1.49 -0.05 0.00 0.03 0.00 0.00 54.97 53.46 2dfs s GLU 87 Cb 0.00 -1.16 0.07 0.00 -0.80 0.00 0.00 34.13 32.24 2dfs s GLU 87 CO 0.00 0.21 0.31 0.00 -1.33 0.00 0.00 175.26 174.45 2dfs s ALA 88 N -2.57 -0.75 0.58 -0.84 0.00 -1.26 -5.16 121.76 111.77 2dfs s ALA 88 Ca 0.19 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2dfs s ALA 88 Cb -0.03 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 22.04 2dfs s ALA 88 CO 0.06 -0.69 0.80 -0.59 0.00 0.00 0.00 175.76 175.35 2dfs s PHE 89 N 2.48 2.09 0.28 0.00 -0.71 -1.26 -5.05 117.98 115.82 2dfs s PHE 89 Ca 0.00 -0.36 -0.11 0.00 -1.04 0.00 0.00 56.93 55.42 2dfs s PHE 89 Cb -0.12 -2.59 0.00 0.00 -1.21 0.00 0.00 43.02 39.10 2dfs s PHE 89 CO -0.10 -1.10 0.52 1.03 -1.34 0.00 0.00 175.22 174.24 2dfs s ARG 90 N -4.76 1.71 0.00 1.99 1.81 -1.26 -4.99 118.95 113.45 2dfs s ARG 90 Ca 0.61 -1.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 2dfs s ARG 90 Cb -0.08 0.49 0.00 0.00 -0.45 0.00 0.00 34.95 34.91 2dfs s ARG 90 CO 0.39 -0.73 0.00 1.55 -0.68 0.00 0.00 175.30 175.83 2dfs n VAL 91 N -0.44 0.00 -1.76 3.52 3.14 -1.26 -4.77 118.33 116.76 2dfs n VAL 91 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2dfs n VAL 91 Cb 0.61 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 -2.50 0.00 -3.73 1.45 3.72 -1.26 -5.01 117.46 110.13 2dfs n PHE 92 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2dfs n PHE 92 Cb 0.00 0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.54 2dfs n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2dfs s ASP 93 N -0.16 -0.42 0.00 4.37 2.15 -1.26 -4.87 116.67 116.47 2dfs s ASP 93 Ca 0.00 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2dfs s ASP 93 Cb 0.00 0.79 0.00 0.00 -0.30 0.00 0.00 42.92 43.41 2dfs s ASP 93 CO 0.00 -0.14 0.00 1.17 -0.17 0.00 0.00 175.17 176.03 2dfs n LYS 94 N 3.06 2.39 -0.35 4.34 0.00 -1.26 -4.72 118.16 121.62 2dfs n LYS 94 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.21 2dfs n LYS 94 Cb 0.57 -0.54 0.20 0.00 0.00 0.00 0.00 35.03 35.26 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dfs h ASP 95 N 0.00 0.94 -0.50 3.14 3.32 -2.00 -3.47 116.42 117.84 2dfs h ASP 95 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2dfs h ASP 95 Cb 0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2dfs h ASP 95 CO 0.00 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 2dfs n GLY 96 N -1.35 0.77 0.18 2.75 0.00 -1.26 -4.97 105.19 101.32 2dfs n GLY 96 Ca 0.17 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.95 -3.46 115.58 114.12 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 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 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 -0.12 0.76 3.25 2.83 0.00 -1.26 -5.04 105.19 105.61 2dfs n GLY 98 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.75 1.97 -0.00 1.61 2.02 -1.26 -3.12 117.35 115.82 2dfs s TYR 99 Ca 0.00 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2dfs s TYR 99 Cb 0.00 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2dfs s TYR 99 CO 0.00 0.00 -0.11 0.96 -1.57 0.00 0.00 175.55 174.83 2dfs s ILE 100 N -0.59 0.88 0.49 2.71 -4.36 -0.75 -4.87 121.20 114.72 2dfs s ILE 100 Ca 0.09 -0.55 -0.24 0.00 -0.26 0.00 0.00 60.65 59.68 2dfs s ILE 100 Cb -0.09 -0.75 -0.07 0.00 1.25 0.00 0.00 42.46 42.80 2dfs s ILE 100 CO -0.00 0.19 1.36 -1.54 0.24 0.00 0.00 174.94 175.19 2dfs n SER 101 N 2.65 2.86 0.19 4.36 3.41 -1.26 -0.66 113.62 125.18 2dfs n SER 101 Ca -0.15 1.05 0.07 0.00 -0.26 0.00 0.00 58.87 59.59 2dfs n SER 101 Cb 0.56 -1.57 0.58 0.00 -0.26 0.00 0.00 64.21 63.52 2dfs n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dfs h ALA 102 N 1.87 1.91 -0.06 7.33 0.00 -1.76 -0.84 119.26 127.71 2dfs h ALA 102 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2dfs h ALA 102 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dfs h ALA 102 CO 0.59 0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.96 2dfs h ALA 103 N 1.92 0.07 -0.34 0.00 0.00 -1.91 0.10 119.26 119.10 2dfs h ALA 103 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2dfs h ALA 103 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2dfs h ALA 103 CO -0.01 -0.43 -0.33 0.93 0.00 0.00 0.00 179.25 179.41 2dfs h GLU 104 N 0.07 0.76 -0.47 0.00 5.08 -1.79 -1.09 114.58 117.14 2dfs h GLU 104 Ca 0.02 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2dfs h GLU 104 Cb -0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2dfs h GLU 104 CO -0.00 0.98 0.31 1.25 -1.00 0.00 0.00 179.01 180.54 2dfs h LEU 105 N 0.64 0.53 -0.52 1.33 5.85 -1.16 -0.86 115.31 121.12 2dfs h LEU 105 Ca 0.07 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dfs h LEU 105 Cb 0.86 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2dfs h LEU 105 CO 0.08 0.38 0.20 -0.09 -0.34 0.00 0.00 178.44 178.67 2dfs h ARG 106 N 0.63 0.79 -0.38 1.25 2.43 -0.92 -2.57 114.38 115.61 2dfs h ARG 106 Ca 0.17 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2dfs h ARG 106 Cb -0.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 2dfs h ARG 106 CO -0.04 0.70 0.20 1.25 -1.51 0.00 0.00 179.97 180.57 2dfs h HIS 107 N 0.71 0.38 -0.72 2.20 2.76 -0.96 0.18 115.15 119.69 2dfs h HIS 107 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2dfs h HIS 107 Cb 0.21 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 2dfs h HIS 107 CO 0.01 0.21 0.24 -0.24 -1.30 0.00 0.00 177.93 176.85 2dfs h VAL 108 N 0.41 1.26 -0.27 5.26 3.04 -1.14 0.60 116.25 125.41 2dfs h VAL 108 Ca 0.16 -0.87 -0.07 0.00 -1.01 0.00 0.00 66.70 64.91 2dfs h VAL 108 Cb 0.04 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 2dfs h VAL 108 CO -0.09 0.34 -0.11 0.24 -1.01 0.00 0.00 177.57 176.94 2dfs h MET 109 N 1.07 0.55 -0.00 4.17 2.07 -1.17 -3.17 114.93 118.44 2dfs h MET 109 Ca 0.24 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2dfs h MET 109 Cb 0.28 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 2dfs h MET 109 CO -0.01 0.79 -0.79 0.25 1.07 0.00 0.00 176.91 178.22 2dfs n THR 110 N -4.47 0.00 -0.01 2.22 -2.24 0.59 -0.87 114.28 109.49 2dfs n THR 110 Ca -0.04 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2dfs n THR 110 Cb 0.35 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.20 4.23 -4.97 3.42 2.85 0.19 -4.65 115.26 115.14 2dfs n ASN 111 Ca 0.04 -0.01 -0.21 0.00 -0.11 0.00 0.00 54.58 54.29 2dfs n ASN 111 Cb 0.31 0.33 0.02 0.00 1.24 0.00 0.00 39.78 41.67 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 -4.53 3.55 0.00 1.20 1.43 -1.15 -4.90 118.68 114.29 2dfs s LEU 112 Ca -0.02 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2dfs s LEU 112 Cb 0.01 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2dfs s LEU 112 CO 0.08 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2dfs n GLY 113 N -2.11 2.35 1.78 -3.19 0.00 -1.26 -2.97 105.19 99.80 2dfs n GLY 113 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 1.78 0.00 1.61 1.02 -1.26 -4.99 120.64 132.80 2dfs n GLU 114 Ca 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 2dfs n GLU 114 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.22 0.00 -1.95 3.49 5.02 -1.16 -4.98 118.16 118.36 2dfs n LYS 115 Ca 0.34 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.30 2dfs n LYS 115 Cb 0.96 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.99 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 3.45 0.64 -0.35 1.43 -0.05 -4.96 118.68 118.83 2dfs s LEU 116 Ca 0.00 1.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 2dfs s LEU 116 Cb 0.00 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 2dfs s LEU 116 CO 0.00 -1.29 1.07 0.42 0.23 0.00 0.00 176.35 176.79 2dfs s THR 117 N -2.48 3.67 0.25 5.49 -4.23 -1.26 -4.35 115.64 112.72 2dfs s THR 117 Ca 0.64 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.82 2dfs s THR 117 Cb -0.17 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.63 2dfs s THR 117 CO 0.39 -0.53 1.90 0.44 -0.54 0.00 0.00 174.62 176.28 2dfs h ASP 118 N 0.05 1.03 -0.90 3.99 3.32 -1.97 -2.13 116.42 119.81 2dfs h ASP 118 Ca -0.46 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.62 2dfs h ASP 118 Cb 1.23 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 2dfs h ASP 118 CO 0.56 0.71 0.59 1.05 -1.72 0.00 0.00 179.24 180.44 2dfs h GLU 119 N 1.20 1.08 -0.16 3.56 4.11 -1.98 0.32 114.58 122.71 2dfs h GLU 119 Ca 0.37 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 2dfs h GLU 119 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2dfs h GLU 119 CO -0.11 0.72 0.09 0.93 0.07 0.00 0.00 179.01 180.70 2dfs h GLU 120 N 1.11 0.23 -0.65 1.06 5.08 -1.89 -2.24 114.58 117.29 2dfs h GLU 120 Ca 0.36 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2dfs h GLU 120 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2dfs h GLU 120 CO -0.11 0.23 0.27 0.28 -1.00 0.00 0.00 179.01 178.68 2dfs h VAL 121 N 0.16 1.23 -0.45 3.13 2.07 -0.65 -2.18 116.25 119.56 2dfs h VAL 121 Ca 0.06 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2dfs h VAL 121 Cb 0.07 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2dfs h VAL 121 CO -0.01 0.28 0.30 0.44 0.02 0.00 0.00 177.57 178.60 2dfs h ASP 122 N 0.91 0.41 -0.52 0.57 5.19 -0.41 -1.14 116.42 121.42 2dfs h ASP 122 Ca 0.22 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2dfs h ASP 122 Cb 0.19 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2dfs h ASP 122 CO -0.02 0.28 0.17 -0.08 -3.12 0.00 0.00 179.24 176.47 2dfs h GLU 123 N 0.47 0.80 0.00 3.56 4.57 -0.84 -3.03 114.58 120.11 2dfs h GLU 123 Ca 0.18 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2dfs h GLU 123 Cb 0.14 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2dfs h GLU 123 CO -0.05 0.73 0.00 0.52 -1.18 0.00 0.00 179.01 179.03 2dfs h MET 124 N 0.70 0.00 -0.33 1.92 2.86 -0.72 -2.87 114.93 116.49 2dfs h MET 124 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2dfs h MET 124 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2dfs h MET 124 CO -0.01 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.40 2dfs n ILE 125 N -2.60 0.42 -2.21 -1.22 -5.35 -0.52 -4.68 119.36 103.20 2dfs n ILE 125 Ca 0.04 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.44 2dfs n ILE 125 Cb 0.40 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.58 4.31 0.00 6.28 0.52 -1.09 -3.01 118.95 124.39 2dfs s ARG 126 Ca 0.37 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 2dfs s ARG 126 Cb 0.22 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2dfs s ARG 126 CO 0.30 -0.49 0.00 -1.91 0.02 0.00 0.00 175.30 173.22 2dfs n GLU 127 N 4.68 -0.18 -3.26 3.54 2.13 -1.26 -5.00 120.64 121.30 2dfs n GLU 127 Ca 0.12 0.04 -0.40 0.00 0.66 0.00 0.00 57.16 57.59 2dfs n GLU 127 Cb 0.43 -3.12 -0.08 0.00 0.27 0.00 0.00 31.44 28.94 2dfs n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dfs s ALA 128 N -2.70 3.57 0.52 4.31 0.00 -1.16 -5.03 121.76 121.27 2dfs s ALA 128 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2dfs s ALA 128 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 2dfs s ALA 128 CO 0.00 -0.80 1.33 0.34 0.00 0.00 0.00 175.76 176.63 2dfs s ASP 129 N 1.59 5.49 -0.02 0.00 2.15 -1.26 -5.02 116.67 119.61 2dfs s ASP 129 Ca 0.20 2.70 -0.00 0.00 0.43 0.00 0.00 52.55 55.88 2dfs s ASP 129 Cb -0.16 -2.63 0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2dfs s ASP 129 CO 0.10 -1.41 0.04 -0.51 -0.17 0.00 0.00 175.17 173.21 2dfs s ILE 130 N -1.34 -0.06 0.00 4.11 1.10 -1.26 -4.62 121.20 119.14 2dfs s ILE 130 Ca 0.69 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 61.05 2dfs s ILE 130 Cb -0.39 -0.09 0.00 0.00 0.15 0.00 0.00 42.46 42.14 2dfs s ILE 130 CO 0.46 0.09 0.00 -0.90 -2.11 0.00 0.00 174.94 172.48 2dfs n ASP 131 N 4.19 0.00 0.16 4.50 5.75 -1.00 -4.92 116.55 125.23 2dfs n ASP 131 Ca -0.28 -0.83 0.12 0.00 -0.01 0.00 0.00 54.79 53.79 2dfs n ASP 131 Cb 0.50 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.00 0.00 1.07 6.12 0.00 -2.02 -3.16 103.07 105.08 2dfs h GLY 132 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2dfs h GLY 132 CO 0.00 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 174.52 2dfs h ASP 133 N 0.00 0.95 0.00 0.19 -0.00 -2.05 -3.48 116.42 112.03 2dfs h ASP 133 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.03 56.62 2dfs h ASP 133 Cb 0.95 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 40.01 2dfs h ASP 133 CO 0.00 1.15 0.00 0.61 -0.00 0.00 0.00 179.24 181.00 2dfs n GLY 134 N -0.06 1.84 3.57 -0.78 0.00 -1.20 -5.06 105.19 103.51 2dfs n GLY 134 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.15 2.11 -0.04 1.61 -0.21 -1.26 -2.01 119.66 119.71 2dfs s GLN 135 Ca 0.00 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.41 2dfs s GLN 135 Cb 0.00 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 2dfs s GLN 135 CO 0.00 0.51 -0.23 0.54 -2.12 0.00 0.00 175.29 173.99 2dfs s VAL 136 N -1.20 2.32 -0.30 1.09 0.11 0.17 -2.37 120.40 120.21 2dfs s VAL 136 Ca 0.21 -1.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 2dfs s VAL 136 Cb -0.11 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 2dfs s VAL 136 CO 0.13 0.58 2.13 0.21 -3.33 0.00 0.00 175.10 174.82 2dfs s ASN 137 N -0.51 5.40 0.27 3.54 3.84 -1.26 -1.81 114.94 124.40 2dfs s ASN 137 Ca 0.07 1.57 0.25 0.00 0.21 0.00 0.00 52.86 54.96 2dfs s ASN 137 Cb -0.11 -2.51 0.66 0.00 -0.55 0.00 0.00 41.25 38.73 2dfs s ASN 137 CO 0.01 -2.06 1.71 0.10 -2.79 0.00 0.00 177.10 174.07 2dfs h TYR 138 N 15.21 0.00 -0.08 0.43 -0.00 -1.90 -2.29 116.97 128.34 2dfs h TYR 138 Ca -0.36 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.31 2dfs h TYR 138 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 2dfs h TYR 138 CO 0.95 0.00 -0.17 1.49 -0.00 0.00 0.00 178.16 180.43 2dfs h GLU 139 N 0.00 0.25 -0.43 0.10 4.81 -1.89 -1.45 114.58 115.97 2dfs h GLU 139 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2dfs h GLU 139 Cb 0.81 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2dfs h GLU 139 CO 0.00 0.76 0.27 1.49 -0.73 0.00 0.00 179.01 180.81 2dfs h GLU 140 N -0.23 0.57 -0.67 1.92 4.57 -1.94 -1.28 114.58 117.51 2dfs h GLU 140 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2dfs h GLU 140 Cb 0.76 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2dfs h GLU 140 CO 0.04 0.39 0.43 0.35 -1.18 0.00 0.00 179.01 179.04 2dfs h PHE 141 N 0.57 0.86 -0.56 0.92 3.57 -1.46 0.26 116.94 121.11 2dfs h PHE 141 Ca 0.16 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 141 Cb -0.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 2dfs h PHE 141 CO -0.04 0.56 -0.02 -0.39 -2.23 0.00 0.00 178.31 176.19 2dfs h VAL 142 N 0.91 1.27 -0.25 1.41 -1.51 -1.12 -2.30 116.25 114.66 2dfs h VAL 142 Ca 0.24 -1.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.56 2dfs h VAL 142 Cb -0.07 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 2dfs h VAL 142 CO -0.05 0.41 0.13 1.56 -1.23 0.00 0.00 177.57 178.39 2dfs h GLN 143 N 0.87 0.35 -0.66 5.19 4.20 -0.88 -2.63 115.11 121.56 2dfs h GLN 143 Ca 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2dfs h GLN 143 Cb 0.56 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2dfs h GLN 143 CO 0.03 0.32 0.38 0.52 -0.67 0.00 0.00 178.83 179.42 2dfs h MET 144 N 0.29 0.89 -0.30 1.46 2.86 -0.50 0.10 114.93 119.73 2dfs h MET 144 Ca 0.09 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2dfs h MET 144 Cb 0.08 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2dfs h MET 144 CO -0.01 0.64 -0.12 0.00 1.06 0.00 0.00 176.91 178.47 2dfs h MET 145 N 0.91 0.61 0.14 1.72 -0.00 -1.35 -3.36 114.93 113.60 2dfs h MET 145 Ca 0.24 -0.26 -0.33 0.00 -0.00 0.00 0.00 59.70 59.34 2dfs h MET 145 Cb -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.56 2dfs h MET 145 CO -0.04 0.83 -1.73 1.79 -0.00 0.00 0.00 176.91 177.76 2dfs h THR 146 N 0.37 0.86 0.00 -0.10 1.35 -1.23 -3.37 112.91 110.79 2dfs h THR 146 Ca 0.07 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 2dfs h THR 146 Cb 0.64 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2dfs h THR 146 CO 0.04 0.81 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 2dfs n ALA 147 N -2.96 1.99 0.76 6.62 0.00 0.33 -5.10 120.51 122.15 2dfs n ALA 147 Ca -0.27 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.14 2dfs n ALA 147 Cb 1.01 -1.33 0.36 0.00 0.00 0.00 0.00 19.45 19.49 2dfs n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13