#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 2.49 -3.58 0.00 -0.00 -1.26 -4.89 120.64 113.41 2dfs n GLU 11 Ca 0.00 0.88 -0.21 0.00 -0.00 0.00 0.00 57.16 57.83 2dfs n GLU 11 Cb 0.00 -2.62 -0.15 0.00 -0.00 0.00 0.00 31.44 28.67 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 -1.14 -0.07 0.30 -1.84 0.08 -1.26 -5.02 117.98 109.03 2dfs s PHE 12 Ca 0.56 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 2dfs s PHE 12 Cb -0.48 -0.47 0.47 0.00 -0.57 0.00 0.00 43.02 41.97 2dfs s PHE 12 CO 0.62 -0.49 1.93 -0.22 -0.10 0.00 0.00 175.22 176.96 2dfs h LYS 13 N 8.37 0.95 -0.81 0.44 3.64 -1.99 -2.45 116.57 124.72 2dfs h LYS 13 Ca -0.15 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2dfs h LYS 13 Cb 1.14 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 2dfs h LYS 13 CO 0.25 0.69 0.36 0.93 -2.27 0.00 0.00 179.45 179.42 2dfs h GLU 14 N 0.96 1.19 -0.79 1.90 5.08 -1.97 -0.41 114.58 120.54 2dfs h GLU 14 Ca 0.25 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2dfs h GLU 14 Cb 0.01 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 2dfs h GLU 14 CO -0.04 0.94 0.32 0.00 -1.00 0.00 0.00 179.01 179.23 2dfs h ALA 15 N 1.19 1.03 -0.49 3.43 0.00 -1.92 -2.50 119.26 119.99 2dfs h ALA 15 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dfs h ALA 15 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2dfs h ALA 15 CO -0.03 0.65 0.32 0.35 0.00 0.00 0.00 179.25 180.55 2dfs h PHE 16 N 1.15 0.63 0.00 0.00 3.04 -1.05 -1.96 116.94 118.74 2dfs h PHE 16 Ca 0.27 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2dfs h PHE 16 Cb 0.21 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2dfs h PHE 16 CO 0.02 0.40 0.00 0.45 -2.02 0.00 0.00 178.31 177.16 2dfs n SER 17 N -4.74 0.00 -0.00 0.41 2.88 -0.20 -0.51 113.62 111.46 2dfs n SER 17 Ca 0.02 0.35 0.10 0.00 -1.33 0.00 0.00 58.87 58.02 2dfs n SER 17 Cb 0.03 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 62.96 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 -1.40 0.68 -0.08 2.46 4.77 -0.76 -4.49 117.00 118.18 2dfs n LEU 18 Ca 0.02 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 2dfs n LEU 18 Cb 0.06 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2dfs n LEU 18 CO 0.05 0.17 -0.87 0.49 -1.33 0.00 0.00 177.39 175.90 2dfs n PHE 19 N -1.75 0.82 -1.81 -1.77 3.01 -0.25 -4.70 117.46 111.01 2dfs n PHE 19 Ca 0.02 0.26 -0.42 0.00 1.01 0.00 0.00 57.45 58.31 2dfs n PHE 19 Cb 0.41 -1.09 -0.03 0.00 -0.01 0.00 0.00 39.48 38.75 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 -6.98 6.51 0.00 4.37 2.15 0.33 -4.85 116.67 118.20 2dfs s ASP 20 Ca -0.29 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.31 2dfs s ASP 20 Cb 0.08 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2dfs s ASP 20 CO 0.64 -0.96 0.00 0.29 -0.17 0.00 0.00 175.17 174.97 2dfs n LYS 21 N 5.81 0.00 -0.30 4.34 5.02 -1.26 -4.65 118.16 127.12 2dfs n LYS 21 Ca 0.17 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 2dfs n LYS 21 Cb 0.39 -0.87 0.07 0.00 -0.02 0.00 0.00 35.03 34.61 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 0.00 1.05 0.00 4.39 3.32 -1.95 -3.48 116.42 119.75 2dfs h ASP 22 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2dfs h ASP 22 Cb 0.98 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2dfs h ASP 22 CO 0.00 0.87 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 2dfs n GLY 23 N -1.06 1.03 0.23 2.75 0.00 -1.26 -4.98 105.19 101.90 2dfs n GLY 23 Ca 0.08 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.96 -3.47 116.42 116.18 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 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2dfs h ASP 24 CO 0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2dfs n GLY 25 N 0.70 0.77 3.17 -0.78 0.00 -1.26 -5.05 105.19 102.74 2dfs n GLY 25 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.74 0.92 0.15 2.61 -4.23 -1.26 -4.12 115.64 106.96 2dfs s THR 26 Ca 0.00 -1.61 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 2dfs s THR 26 Cb 0.00 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2dfs s THR 26 CO 0.00 -0.54 -0.15 0.27 -0.54 0.00 0.00 174.62 173.65 2dfs s ILE 27 N -2.37 1.54 0.47 2.99 -4.36 -0.21 -4.69 121.20 114.57 2dfs s ILE 27 Ca 0.05 -1.88 -0.24 0.00 -0.26 0.00 0.00 60.65 58.32 2dfs s ILE 27 Cb -0.03 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.87 2dfs s ILE 27 CO 0.00 -0.43 1.41 0.35 0.24 0.00 0.00 174.94 176.51 2dfs n THR 28 N 0.28 3.05 0.29 8.37 -2.24 -1.26 -0.75 114.28 122.02 2dfs n THR 28 Ca -0.13 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2dfs n THR 28 Cb 0.58 -1.79 0.85 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 2.06 0.00 -0.00 4.28 1.35 -1.70 -1.05 112.91 117.85 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 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2dfs h THR 29 CO 0.60 0.00 -0.33 0.29 -0.25 0.00 0.00 175.52 175.83 2dfs n LYS 30 N -2.75 0.07 -0.20 4.72 4.76 -1.26 -3.24 118.16 120.26 2dfs n LYS 30 Ca -0.01 -0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.49 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 -1.43 2.11 -0.26 1.97 -0.58 -0.40 -4.36 120.64 117.69 2dfs n GLU 31 Ca 0.07 -1.70 -0.02 0.00 -0.42 0.00 0.00 57.16 55.09 2dfs n GLU 31 Cb 0.33 -1.41 0.17 0.00 -0.57 0.00 0.00 31.44 29.96 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 3.03 0.97 -0.25 -4.62 5.85 -1.62 -1.08 115.31 117.58 2dfs h LEU 32 Ca 0.00 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 2dfs h LEU 32 Cb 0.68 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2dfs h LEU 32 CO 0.00 0.76 -0.60 1.23 -0.34 0.00 0.00 178.44 179.48 2dfs h GLY 33 N 1.13 0.94 1.26 3.75 0.00 -1.85 -2.11 103.07 106.20 2dfs h GLY 33 Ca 0.29 -1.16 -0.11 0.00 0.00 0.00 0.00 47.33 46.35 2dfs h GLY 33 CO -0.05 1.04 -0.16 -0.91 0.00 0.00 0.00 176.54 176.46 2dfs h THR 34 N 0.63 1.27 -0.49 4.70 1.35 -1.84 -1.82 112.91 116.70 2dfs h THR 34 Ca -0.00 -1.27 -0.05 0.00 -0.55 0.00 0.00 66.41 64.54 2dfs h THR 34 Cb 1.22 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2dfs h THR 34 CO 0.13 0.44 0.12 1.62 -0.25 0.00 0.00 175.52 177.58 2dfs h VAL 35 N 0.76 1.24 -0.53 6.82 3.04 -1.12 0.26 116.25 126.72 2dfs h VAL 35 Ca 0.12 -0.83 0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2dfs h VAL 35 Cb 0.68 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 30.77 2dfs h VAL 35 CO 0.05 0.30 0.33 0.24 -1.01 0.00 0.00 177.57 177.48 2dfs h MET 36 N 0.68 0.65 0.00 4.17 2.86 -1.38 -1.92 114.93 119.99 2dfs h MET 36 Ca 0.16 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 2dfs h MET 36 Cb 0.32 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2dfs h MET 36 CO 0.00 0.43 -0.54 0.00 1.06 0.00 0.00 176.91 177.86 2dfs h ARG 37 N 0.67 0.00 -0.78 1.72 3.08 -1.26 -2.87 114.38 114.95 2dfs h ARG 37 Ca 0.20 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2dfs h ARG 37 Cb -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2dfs h ARG 37 CO -0.07 0.54 0.34 1.03 -1.07 0.00 0.00 179.97 180.74 2dfs h SER 38 N 0.00 1.04 0.10 7.04 0.87 -0.09 -3.28 113.55 119.23 2dfs h SER 38 Ca -0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2dfs h SER 38 Cb 0.99 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2dfs h SER 38 CO 0.07 0.90 -0.05 0.25 -0.53 0.00 0.00 176.83 177.47 2dfs h LEU 39 N 1.12 -0.12 0.00 2.23 5.85 -1.15 -3.48 115.31 119.77 2dfs h LEU 39 Ca 0.26 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2dfs h LEU 39 Cb 0.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2dfs h LEU 39 CO -0.03 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 2dfs n GLY 40 N -0.86 1.24 3.39 3.75 0.00 -1.11 -5.07 105.19 106.53 2dfs n GLY 40 Ca -0.08 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.32 -3.13 1.61 6.02 -1.14 -4.93 117.38 115.49 2dfs n GLN 41 Ca 0.00 -0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.71 2dfs n GLN 41 Cb 0.00 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.42 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 -1.06 2.25 -4.76 1.08 3.02 -1.26 -3.88 115.26 110.65 2dfs n ASN 42 Ca 0.06 -3.24 -0.40 0.00 -0.03 0.00 0.00 54.58 50.97 2dfs n ASN 42 Cb 0.54 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.64 4.77 0.90 3.52 0.04 -1.26 -4.77 135.00 135.56 2dfs s PRO 43 Ca 0.42 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2dfs s PRO 43 Cb 0.29 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 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 1.47 0.37 -0.07 1.26 -2.24 -1.26 -4.77 114.28 109.04 2dfs n THR 44 Ca -0.03 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 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 -1.16 0.69 0.16 -0.78 4.39 -1.98 -1.80 114.58 114.10 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 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2dfs h GLU 45 CO 0.34 0.70 -0.19 0.00 -1.16 0.00 0.00 179.01 178.70 2dfs h ALA 46 N 1.36 -0.35 -0.95 3.43 0.00 -1.99 -1.80 119.26 118.96 2dfs h ALA 46 Ca 0.13 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2dfs h ALA 46 Cb 0.39 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2dfs h ALA 46 CO 0.01 -0.73 0.61 0.93 0.00 0.00 0.00 179.25 180.08 2dfs h GLU 47 N -0.39 1.15 -0.77 0.00 5.08 -1.88 0.29 114.58 118.06 2dfs h GLU 47 Ca 0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2dfs h GLU 47 Cb 0.38 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2dfs h GLU 47 CO -0.07 0.76 0.48 1.25 -1.00 0.00 0.00 179.01 180.43 2dfs h LEU 48 N 1.18 0.78 -0.38 1.33 5.85 -1.30 -0.23 115.31 122.55 2dfs h LEU 48 Ca 0.38 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 2dfs h LEU 48 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2dfs h LEU 48 CO -0.13 0.53 -0.13 1.56 -0.34 0.00 0.00 178.44 179.94 2dfs h GLN 49 N 0.93 0.75 -0.64 1.25 1.08 -0.30 -2.66 115.11 115.52 2dfs h GLN 49 Ca 0.31 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2dfs h GLN 49 Cb 0.04 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2dfs h GLN 49 CO -0.12 0.92 0.41 -0.44 -0.95 0.00 0.00 178.83 178.64 2dfs h ASP 50 N 0.55 0.68 -0.62 1.46 3.32 -0.79 0.14 116.42 121.17 2dfs h ASP 50 Ca 0.09 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2dfs h ASP 50 Cb 0.66 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2dfs h ASP 50 CO 0.05 0.48 0.39 0.24 -1.72 0.00 0.00 179.24 178.67 2dfs h MET 51 N 0.81 0.74 -0.56 3.56 2.86 -1.04 -1.05 114.93 120.26 2dfs h MET 51 Ca 0.25 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 2dfs h MET 51 Cb -0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2dfs h MET 51 CO -0.08 0.49 0.09 0.82 1.06 0.00 0.00 176.91 179.29 2dfs h ILE 52 N 0.76 1.25 0.00 -1.22 2.04 -1.18 -3.28 117.51 115.89 2dfs h ILE 52 Ca 0.25 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2dfs h ILE 52 Cb 0.00 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2dfs h ILE 52 CO -0.09 0.35 0.00 -1.13 0.00 0.00 0.00 178.15 177.28 2dfs h ASN 53 N 0.82 0.00 -0.18 1.72 -0.00 -0.08 -2.70 115.58 115.16 2dfs h ASN 53 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2dfs h ASN 53 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.73 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 -2.94 1.66 -4.70 6.67 0.28 -0.46 -4.70 120.64 116.46 2dfs n GLU 54 Ca 0.03 -1.00 -0.30 0.00 -0.16 0.00 0.00 57.16 55.72 2dfs n GLU 54 Cb 0.40 -1.36 -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 2.45 0.00 3.84 0.11 -1.02 -5.02 120.40 118.99 2dfs s VAL 55 Ca 0.30 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 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 0.24 0.30 2.60 -0.90 -3.33 0.00 0.00 175.10 174.01 2dfs n ASP 56 N 1.50 3.78 -1.04 3.54 5.75 -1.26 -4.01 116.55 124.80 2dfs n ASP 56 Ca -0.17 -2.18 0.04 0.00 -0.01 0.00 0.00 54.79 52.47 2dfs n ASP 56 Cb 0.52 -1.00 0.20 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 2.53 2.95 -0.05 2.12 0.00 -1.26 -4.55 120.51 122.24 2dfs n ALA 57 Ca 0.27 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 2dfs n ALA 57 Cb 0.63 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 0.43 -0.13 -0.34 0.00 2.03 -1.26 -1.07 116.55 116.20 2dfs n ASP 58 Ca 0.14 0.59 0.14 0.00 0.52 0.00 0.00 54.79 56.18 2dfs n ASP 58 Cb 0.60 -0.21 0.62 0.00 -0.72 0.00 0.00 41.12 41.41 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 -1.03 -0.30 3.67 0.27 0.00 -1.26 -4.93 105.19 101.60 2dfs n GLY 59 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.04 6.94 0.17 1.61 -0.87 -0.23 -4.92 114.94 115.59 2dfs s ASN 60 Ca 0.39 1.79 0.13 0.00 -1.57 0.00 0.00 52.86 53.61 2dfs s ASN 60 Cb 0.21 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.83 2dfs s ASN 60 CO 0.36 -0.74 1.20 1.23 -2.57 0.00 0.00 177.10 176.59 2dfs h GLY 61 N 9.36 0.00 -2.78 0.66 0.00 -1.92 -3.45 103.07 104.95 2dfs h GLY 61 Ca -0.30 0.00 -0.25 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 0.00 176.54 176.31 2dfs s THR 62 N -2.87 0.52 -0.01 4.70 -4.23 -1.26 -2.04 115.64 110.46 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 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 2dfs s THR 62 CO 0.78 -0.51 -0.20 0.27 -0.54 0.00 0.00 174.62 174.42 2dfs s ILE 63 N -3.76 1.61 0.55 2.99 -4.36 0.07 -4.75 121.20 113.55 2dfs s ILE 63 Ca 0.23 -0.91 -0.01 0.00 -0.26 0.00 0.00 60.65 59.69 2dfs s ILE 63 Cb 0.06 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.45 2dfs s ILE 63 CO 0.03 0.42 0.80 -0.62 0.24 0.00 0.00 174.94 175.80 2dfs s ASP 64 N -0.58 5.42 0.09 4.36 2.15 -1.26 -1.05 116.67 125.81 2dfs s ASP 64 Ca 0.08 0.26 -0.22 0.00 0.43 0.00 0.00 52.55 53.10 2dfs s ASP 64 Cb -0.08 -1.23 -0.13 0.00 -0.30 0.00 0.00 42.92 41.18 2dfs s ASP 64 CO -0.00 -1.07 1.72 0.15 -0.17 0.00 0.00 175.17 175.80 2dfs h PHE 65 N 0.03 0.08 -0.91 -5.34 3.57 -2.00 -2.31 116.94 110.06 2dfs h PHE 65 Ca -0.44 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.32 2dfs h PHE 65 Cb 1.28 -0.03 -0.16 0.00 2.79 0.00 0.00 35.95 39.84 2dfs h PHE 65 CO 0.41 0.09 0.18 -1.35 -2.23 0.00 0.00 178.31 175.40 2dfs h PRO 66 N 0.05 0.12 -0.10 6.41 0.11 -1.96 0.52 132.00 137.15 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 0.15 -0.93 1.05 4.22 -1.86 -2.10 114.58 115.23 2dfs h GLU 67 Ca 0.58 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 60.03 2dfs h GLU 67 Cb 1.22 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2dfs h GLU 67 CO -0.75 0.33 0.60 0.35 -2.18 0.00 0.00 179.01 177.36 2dfs h PHE 68 N -0.05 1.13 -0.52 0.92 3.57 -1.02 -1.30 116.94 119.67 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 0.24 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2dfs h PHE 68 CO 0.00 0.63 0.32 -0.07 -2.23 0.00 0.00 178.31 176.96 2dfs h LEU 69 N 1.15 0.52 -0.61 0.59 3.38 -0.82 -1.81 115.31 117.71 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 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2dfs h LEU 69 CO -0.13 0.37 0.16 0.71 0.09 0.00 0.00 178.44 179.63 2dfs h THR 70 N 0.63 1.25 -0.44 0.22 1.35 -0.56 -1.80 112.91 113.57 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 -0.00 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 2dfs h THR 70 CO -0.08 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 -0.67 4.72 2.86 -1.24 -1.33 114.93 120.78 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 0.17 0.00 1.06 0.00 0.00 176.91 178.68 2dfs h MET 72 N 0.56 1.06 -0.65 1.72 -0.00 -1.25 -1.85 114.93 114.53 2dfs h MET 72 Ca 0.15 -0.24 -0.08 0.00 -0.00 0.00 0.00 59.70 59.53 2dfs h MET 72 Cb 0.12 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 31.54 2dfs h MET 72 CO -0.02 0.93 0.09 0.00 -0.00 0.00 0.00 176.91 177.91 2dfs h ALA 73 N 1.17 0.86 -0.82 -3.00 0.00 -1.21 0.19 119.26 116.45 2dfs h ALA 73 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dfs h ALA 73 Cb 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2dfs h ALA 73 CO -0.00 0.64 0.47 -0.09 0.00 0.00 0.00 179.25 180.26 2dfs h ARG 74 N 1.00 1.12 -0.27 0.00 2.43 -1.12 -3.26 114.38 114.28 2dfs h ARG 74 Ca 0.20 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2dfs h ARG 74 Cb 0.46 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2dfs h ARG 74 CO 0.02 0.81 -0.02 1.63 -1.51 0.00 0.00 179.97 180.90 2dfs n LYS 75 N -4.36 2.44 -0.12 0.20 4.76 -0.70 -4.78 118.16 115.60 2dfs n LYS 75 Ca 0.09 -2.93 -0.05 0.00 -2.87 0.00 0.00 58.31 52.55 2dfs n LYS 75 Cb 0.08 -1.81 0.03 0.00 -1.84 0.00 0.00 35.03 31.49 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 1.39 0.17 -0.44 1.97 -0.00 -1.00 -1.92 114.93 115.09 2dfs h MET 76 Ca 0.08 -0.01 0.07 0.00 -0.00 0.00 0.00 59.70 59.83 2dfs h MET 76 Cb 1.49 -0.04 -0.06 0.00 -0.00 0.00 0.00 31.60 33.00 2dfs h MET 76 CO 0.27 0.11 0.11 -0.22 -0.00 0.00 0.00 176.91 177.18 2dfs h LYS 77 N 0.18 0.25 -0.31 -0.10 3.11 -1.87 0.14 116.57 117.97 2dfs h LYS 77 Ca 0.19 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.91 2dfs h LYS 77 Cb 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 2dfs h LYS 77 CO -0.27 0.16 -0.21 -0.44 -2.81 0.00 0.00 179.45 175.88 2dfs h ASP 78 N 0.25 0.72 -0.61 4.20 3.32 -1.89 -2.99 116.42 119.43 2dfs h ASP 78 Ca 0.21 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 2dfs h ASP 78 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2dfs h ASP 78 CO -0.26 1.00 0.16 0.71 -1.72 0.00 0.00 179.24 179.13 2dfs h THR 79 N 0.45 1.25 -0.81 0.35 1.35 -0.76 -2.90 112.91 111.84 2dfs h THR 79 Ca 0.06 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2dfs h THR 79 Cb 0.76 0.67 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 2dfs h THR 79 CO 0.06 0.33 0.52 0.44 -0.25 0.00 0.00 175.52 176.62 2dfs h ASP 80 N 0.88 0.94 -0.65 5.36 3.32 -0.82 -2.98 116.42 122.48 2dfs h ASP 80 Ca 0.19 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.30 2dfs h ASP 80 Cb 0.34 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2dfs h ASP 80 CO -0.00 0.70 0.43 -1.28 -1.72 0.00 0.00 179.24 177.37 2dfs h SER 81 N 1.11 0.47 0.72 6.45 0.87 -1.35 -0.75 113.55 121.06 2dfs h SER 81 Ca 0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2dfs h SER 81 Cb -0.10 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2dfs h SER 81 CO -0.06 0.29 0.00 -0.62 -0.53 0.00 0.00 176.83 175.91 2dfs n GLU 82 N -4.48 0.08 -0.26 2.24 -0.58 -1.12 -2.67 120.64 113.85 2dfs n GLU 82 Ca 0.10 0.27 0.07 0.00 -0.42 0.00 0.00 57.16 57.18 2dfs n GLU 82 Cb 0.33 -1.64 0.18 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.80 2.83 -0.02 3.49 0.28 -0.30 -4.55 120.64 120.57 2dfs n GLU 83 Ca 0.04 -2.35 -0.13 0.00 -0.16 0.00 0.00 57.16 54.56 2dfs n GLU 83 Cb 0.23 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.51 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 1.68 -0.01 -6.96 3.44 4.22 -1.42 -3.48 114.58 112.04 2dfs h GLU 84 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.91 2dfs h GLU 84 Cb 1.01 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.36 2dfs h GLU 84 CO 0.09 0.60 0.67 0.96 -2.18 0.00 0.00 179.01 179.14 2dfs s ILE 85 N -3.70 2.34 0.00 2.32 -4.36 -1.26 -4.95 121.20 111.59 2dfs s ILE 85 Ca -0.16 0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.53 2dfs s ILE 85 Cb 0.00 -3.18 0.00 0.00 1.25 0.00 0.00 42.46 40.53 2dfs s ILE 85 CO 0.67 0.05 0.00 -2.11 0.24 0.00 0.00 174.94 173.78 2dfs n ARG 86 N 0.06 3.97 -4.38 0.37 1.85 -1.26 -5.09 116.66 112.18 2dfs n ARG 86 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.68 2dfs n ARG 86 Cb 0.42 -0.67 -0.10 0.00 -1.05 0.00 0.00 32.46 31.06 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 -0.68 1.41 -0.17 2.89 1.03 -1.26 -5.11 118.70 116.81 2dfs s GLU 87 Ca 0.00 -1.60 -0.05 0.00 0.03 0.00 0.00 54.97 53.35 2dfs s GLU 87 Cb 0.00 -1.34 0.08 0.00 -0.80 0.00 0.00 34.13 32.07 2dfs s GLU 87 CO 0.00 0.24 0.34 0.00 -1.33 0.00 0.00 175.26 174.51 2dfs s ALA 88 N -2.64 -0.86 0.54 -0.84 0.00 -1.26 -5.16 121.76 111.54 2dfs s ALA 88 Ca 0.23 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.40 2dfs s ALA 88 Cb -0.03 -1.22 0.05 0.00 0.00 0.00 0.00 23.12 21.92 2dfs s ALA 88 CO 0.09 -0.77 0.74 -0.59 0.00 0.00 0.00 175.76 175.24 2dfs s PHE 89 N 2.51 2.42 0.25 0.00 -0.71 -1.26 -5.05 117.98 116.15 2dfs s PHE 89 Ca 0.01 -0.29 -0.09 0.00 -1.04 0.00 0.00 56.93 55.53 2dfs s PHE 89 Cb -0.12 -2.58 -0.01 0.00 -1.21 0.00 0.00 43.02 39.09 2dfs s PHE 89 CO -0.11 -0.90 0.40 1.03 -1.34 0.00 0.00 175.22 174.30 2dfs s ARG 90 N -4.67 1.53 0.00 1.99 1.81 -1.26 -5.00 118.95 113.35 2dfs s ARG 90 Ca 0.59 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2dfs s ARG 90 Cb -0.09 0.42 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 2dfs s ARG 90 CO 0.38 -0.61 0.00 1.55 -0.68 0.00 0.00 175.30 175.93 2dfs n VAL 91 N -0.39 0.00 0.00 3.52 3.14 -1.26 -4.88 118.33 118.46 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 0.63 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 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 -2.70 0.00 -1.49 1.45 3.72 -1.26 -4.99 117.46 112.18 2dfs n PHE 92 Ca 0.00 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.87 2dfs n PHE 92 Cb 0.00 0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.31 0.03 0.00 4.37 2.03 -1.26 -4.90 116.55 114.50 2dfs n ASP 93 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2dfs n ASP 93 Cb 0.00 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2dfs n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dfs n LYS 94 N 1.45 2.12 -0.37 -0.67 0.00 -1.26 -4.75 118.16 114.67 2dfs n LYS 94 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.50 2dfs n LYS 94 Cb 0.17 -0.63 0.15 0.00 0.00 0.00 0.00 35.03 34.72 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 1.09 -0.36 3.14 3.32 -2.00 -3.47 116.42 118.14 2dfs h ASP 95 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2dfs h ASP 95 Cb 0.18 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2dfs h ASP 95 CO 0.00 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 2dfs n GLY 96 N -1.37 0.84 0.19 2.75 0.00 -1.26 -4.98 105.19 101.36 2dfs n GLY 96 Ca 0.14 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.96 -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 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2dfs h ASN 97 CO 0.00 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 2dfs n GLY 98 N -0.18 0.76 3.31 2.83 0.00 -1.26 -5.04 105.19 105.62 2dfs n GLY 98 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.78 2.13 -0.00 1.61 2.02 -1.26 -3.13 117.35 115.93 2dfs s TYR 99 Ca 0.00 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2dfs s TYR 99 Cb 0.00 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2dfs s TYR 99 CO 0.00 0.13 -0.06 0.96 -1.57 0.00 0.00 175.55 175.02 2dfs s ILE 100 N -0.83 0.45 0.49 2.71 -4.36 -0.76 -4.68 121.20 114.21 2dfs s ILE 100 Ca 0.10 -0.30 -0.24 0.00 -0.26 0.00 0.00 60.65 59.95 2dfs s ILE 100 Cb -0.10 -0.39 -0.07 0.00 1.25 0.00 0.00 42.46 43.15 2dfs s ILE 100 CO 0.02 0.08 1.37 -1.54 0.24 0.00 0.00 174.94 175.12 2dfs n SER 101 N 2.82 2.92 0.18 4.36 3.41 -1.26 -0.72 113.62 125.34 2dfs n SER 101 Ca -0.14 1.05 0.07 0.00 -0.26 0.00 0.00 58.87 59.59 2dfs n SER 101 Cb 0.58 -1.58 0.57 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 1.88 1.89 -0.06 7.33 0.00 -1.76 -0.71 119.26 127.83 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 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dfs h ALA 102 CO 0.59 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.97 2dfs h ALA 103 N 1.91 0.07 -0.47 0.00 0.00 -1.91 0.25 119.26 119.11 2dfs h ALA 103 Ca 0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2dfs h ALA 103 Cb 0.01 -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 -0.19 0.93 0.00 0.00 0.00 179.25 179.55 2dfs h GLU 104 N 0.08 0.94 -0.47 0.00 5.08 -1.79 -0.97 114.58 117.45 2dfs h GLU 104 Ca 0.02 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2dfs h GLU 104 Cb -0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2dfs h GLU 104 CO -0.00 1.05 0.31 1.25 -1.00 0.00 0.00 179.01 180.61 2dfs h LEU 105 N 0.82 0.55 -0.53 1.33 5.85 -1.12 -0.98 115.31 121.22 2dfs h LEU 105 Ca 0.11 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2dfs h LEU 105 Cb 0.75 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2dfs h LEU 105 CO 0.06 0.41 0.21 -0.09 -0.34 0.00 0.00 178.44 178.69 2dfs h ARG 106 N 0.64 0.80 -0.45 1.25 2.43 -0.88 -2.59 114.38 115.57 2dfs h ARG 106 Ca 0.17 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2dfs h ARG 106 Cb -0.06 -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 0.25 1.25 -1.51 0.00 0.00 179.97 180.63 2dfs h HIS 107 N 0.73 0.47 -0.77 2.20 2.76 -0.93 0.18 115.15 119.79 2dfs h HIS 107 Ca 0.18 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2dfs h HIS 107 Cb 0.20 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 2dfs h HIS 107 CO 0.01 0.26 0.28 -0.24 -1.30 0.00 0.00 177.93 176.94 2dfs h VAL 108 N 0.50 1.26 -0.31 5.26 3.04 -1.15 0.38 116.25 125.23 2dfs h VAL 108 Ca 0.18 -0.85 -0.08 0.00 -1.01 0.00 0.00 66.70 64.95 2dfs h VAL 108 Cb 0.04 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 2dfs h VAL 108 CO -0.10 0.34 -0.12 0.24 -1.01 0.00 0.00 177.57 176.93 2dfs h MET 109 N 1.12 0.62 -0.01 4.17 2.07 -1.15 -3.15 114.93 118.61 2dfs h MET 109 Ca 0.25 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2dfs h MET 109 Cb 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 2dfs h MET 109 CO -0.02 0.83 -0.56 0.25 1.07 0.00 0.00 176.91 178.49 2dfs n THR 110 N -4.42 0.00 0.00 2.22 -2.24 0.61 -0.93 114.28 109.52 2dfs n THR 110 Ca -0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2dfs n THR 110 Cb 0.35 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.66 4.38 -4.95 3.42 2.85 0.11 -4.65 115.26 115.75 2dfs n ASN 111 Ca 0.06 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.30 2dfs n ASN 111 Cb 0.33 0.24 0.03 0.00 1.24 0.00 0.00 39.78 41.62 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 -4.43 3.32 0.00 1.20 1.43 -1.14 -4.90 118.68 114.16 2dfs s LEU 112 Ca 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2dfs s LEU 112 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 2dfs s LEU 112 CO 0.00 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.13 2dfs n GLY 113 N -2.37 1.55 2.34 -3.19 0.00 -1.26 -3.23 105.19 99.02 2dfs n GLY 113 Ca 0.05 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 11.28 3.77 0.00 1.61 1.02 -1.26 -4.97 120.64 132.10 2dfs n GLU 114 Ca 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 2dfs n GLU 114 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 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 2.77 0.00 -2.66 3.49 5.02 -1.20 -4.99 118.16 120.58 2dfs n LYS 115 Ca 0.69 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 2dfs n LYS 115 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.29 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 3.75 0.64 -0.35 1.43 -0.11 -4.98 118.68 119.06 2dfs s LEU 116 Ca 0.00 1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 2dfs s LEU 116 Cb 0.00 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2dfs s LEU 116 CO 0.00 -0.47 1.06 0.42 0.23 0.00 0.00 176.35 177.59 2dfs s THR 117 N -2.46 3.84 0.25 5.49 -4.23 -1.26 -4.34 115.64 112.93 2dfs s THR 117 Ca 0.55 0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 61.77 2dfs s THR 117 Cb -0.10 -3.36 0.25 0.00 1.34 0.00 0.00 72.50 70.63 2dfs s THR 117 CO 0.30 -0.62 1.90 0.44 -0.54 0.00 0.00 174.62 176.10 2dfs h ASP 118 N -0.03 1.04 -0.89 3.99 3.32 -1.98 -1.77 116.42 120.10 2dfs h ASP 118 Ca -0.46 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.62 2dfs h ASP 118 Cb 1.22 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 2dfs h ASP 118 CO 0.57 0.72 0.59 1.05 -1.72 0.00 0.00 179.24 180.44 2dfs h GLU 119 N 1.21 1.09 -0.08 3.56 4.11 -1.98 0.34 114.58 122.84 2dfs h GLU 119 Ca 0.38 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 2dfs h GLU 119 Cb -0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2dfs h GLU 119 CO -0.12 0.72 0.05 0.93 0.07 0.00 0.00 179.01 180.65 2dfs h GLU 120 N 1.12 0.10 -0.65 1.06 5.08 -1.84 -2.35 114.58 117.09 2dfs h GLU 120 Ca 0.35 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2dfs h GLU 120 Cb 0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2dfs h GLU 120 CO -0.10 0.12 0.25 0.28 -1.00 0.00 0.00 179.01 178.56 2dfs h VAL 121 N 0.06 1.24 -0.38 3.13 2.07 -0.53 -2.26 116.25 119.58 2dfs h VAL 121 Ca 0.03 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2dfs h VAL 121 Cb 0.04 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2dfs h VAL 121 CO -0.00 0.30 0.25 0.44 0.02 0.00 0.00 177.57 178.58 2dfs h ASP 122 N 0.93 0.33 -0.50 0.57 5.19 -0.37 -1.35 116.42 121.22 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 0.22 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2dfs h ASP 122 CO -0.02 0.23 0.14 -0.08 -3.12 0.00 0.00 179.24 176.39 2dfs h GLU 123 N 0.38 0.78 0.00 3.56 4.57 -0.86 -3.04 114.58 119.97 2dfs h GLU 123 Ca 0.16 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2dfs h GLU 123 Cb 0.15 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2dfs h GLU 123 CO -0.04 0.74 0.00 0.52 -1.18 0.00 0.00 179.01 179.06 2dfs h MET 124 N 0.68 0.00 -0.34 1.92 2.86 -0.87 -2.89 114.93 116.29 2dfs h MET 124 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dfs h MET 124 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2dfs h MET 124 CO -0.00 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.41 2dfs n ILE 125 N -2.66 0.43 -2.22 -1.22 -5.35 -0.60 -4.66 119.36 103.08 2dfs n ILE 125 Ca 0.03 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 2dfs n ILE 125 Cb 0.39 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.57 4.31 0.00 6.28 0.52 -1.10 -3.03 118.95 124.37 2dfs s ARG 126 Ca 0.37 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 2dfs s ARG 126 Cb 0.21 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 32.24 2dfs s ARG 126 CO 0.30 -0.50 0.00 -1.91 0.02 0.00 0.00 175.30 173.21 2dfs n GLU 127 N 4.77 -0.26 -3.31 3.54 2.13 -1.26 -5.00 120.64 121.24 2dfs n GLU 127 Ca 0.12 0.07 -0.40 0.00 0.66 0.00 0.00 57.16 57.61 2dfs n GLU 127 Cb 0.43 -3.24 -0.08 0.00 0.27 0.00 0.00 31.44 28.82 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 -2.42 3.57 0.53 4.31 0.00 -1.17 -5.04 121.76 121.54 2dfs s ALA 128 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 2dfs s ALA 128 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 2dfs s ALA 128 CO 0.00 -0.75 1.32 0.34 0.00 0.00 0.00 175.76 176.67 2dfs s ASP 129 N 1.61 5.46 -0.02 0.00 2.15 -1.26 -5.02 116.67 119.59 2dfs s ASP 129 Ca 0.18 2.68 -0.00 0.00 0.43 0.00 0.00 52.55 55.84 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 -1.43 0.04 -0.51 -0.17 0.00 0.00 175.17 173.20 2dfs s ILE 130 N -1.34 -0.06 0.00 4.11 1.10 -1.26 -4.62 121.20 119.13 2dfs s ILE 130 Ca 0.70 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 61.05 2dfs s ILE 130 Cb -0.38 -0.10 0.00 0.00 0.15 0.00 0.00 42.46 42.13 2dfs s ILE 130 CO 0.46 0.09 0.00 -0.90 -2.11 0.00 0.00 174.94 172.47 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 -0.86 0.12 0.00 -0.01 0.00 0.00 54.79 53.76 2dfs n ASP 131 Cb 0.50 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.76 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 1.08 6.12 0.00 -2.02 -3.15 103.07 105.09 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 -0.23 -1.80 0.00 0.00 0.00 176.54 174.51 2dfs h ASP 133 N 0.00 0.95 0.00 0.19 -0.00 -2.05 -3.48 116.42 112.04 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 0.94 -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 -0.05 1.84 3.57 -0.78 0.00 -1.19 -5.06 105.19 103.52 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 -0.16 2.12 -0.04 1.61 -0.21 -1.26 -2.01 119.66 119.71 2dfs s GLN 135 Ca 0.00 -1.02 0.06 0.00 0.02 0.00 0.00 55.36 54.42 2dfs s GLN 135 Cb 0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.69 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 2.33 -0.30 1.09 0.11 0.10 -2.37 120.40 120.15 2dfs s VAL 136 Ca 0.21 -1.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.99 2dfs s VAL 136 Cb -0.11 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2dfs s VAL 136 CO 0.13 0.58 2.14 0.21 -3.33 0.00 0.00 175.10 174.84 2dfs s ASN 137 N -0.53 5.37 0.30 3.54 3.84 -1.26 -1.83 114.94 124.37 2dfs s ASN 137 Ca 0.07 1.56 0.25 0.00 0.21 0.00 0.00 52.86 54.96 2dfs s ASN 137 Cb -0.11 -2.51 0.63 0.00 -0.55 0.00 0.00 41.25 38.71 2dfs s ASN 137 CO 0.00 -2.08 1.71 0.10 -2.79 0.00 0.00 177.10 174.05 2dfs h TYR 138 N 15.33 0.00 -0.08 0.43 -0.00 -1.90 -2.29 116.97 128.45 2dfs h TYR 138 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.32 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 -0.15 1.49 -0.00 0.00 0.00 178.16 180.45 2dfs h GLU 139 N 0.00 0.25 -0.43 0.10 4.81 -1.89 -1.21 114.58 116.21 2dfs h GLU 139 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2dfs h GLU 139 Cb 0.84 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2dfs h GLU 139 CO 0.00 0.74 0.27 1.49 -0.73 0.00 0.00 179.01 180.78 2dfs h GLU 140 N -0.21 0.57 -0.67 1.92 4.57 -1.94 -1.19 114.58 117.62 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 0.73 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2dfs h GLU 140 CO 0.03 0.40 0.42 0.35 -1.18 0.00 0.00 179.01 179.04 2dfs h PHE 141 N 0.57 0.86 -0.57 0.92 3.57 -1.45 0.26 116.94 121.11 2dfs h PHE 141 Ca 0.15 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 141 Cb -0.04 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 2dfs h PHE 141 CO -0.04 0.56 0.00 -0.39 -2.23 0.00 0.00 178.31 176.22 2dfs h VAL 142 N 0.91 1.26 -0.26 1.41 -1.51 -1.07 -2.32 116.25 114.66 2dfs h VAL 142 Ca 0.24 -1.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 2dfs h VAL 142 Cb -0.07 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 2dfs h VAL 142 CO -0.05 0.40 0.14 1.56 -1.23 0.00 0.00 177.57 178.39 2dfs h GLN 143 N 0.88 0.37 -0.65 5.19 4.20 -0.87 -2.65 115.11 121.59 2dfs h GLN 143 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2dfs h GLN 143 Cb 0.54 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2dfs h GLN 143 CO 0.03 0.34 0.36 0.52 -0.67 0.00 0.00 178.83 179.41 2dfs h MET 144 N 0.31 0.89 -0.31 1.46 2.86 -0.49 0.11 114.93 119.76 2dfs h MET 144 Ca 0.09 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2dfs h MET 144 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2dfs h MET 144 CO -0.01 0.64 -0.12 0.00 1.06 0.00 0.00 176.91 178.48 2dfs h MET 145 N 0.90 0.62 0.13 1.72 -0.00 -1.36 -3.35 114.93 113.60 2dfs h MET 145 Ca 0.23 -0.26 -0.31 0.00 -0.00 0.00 0.00 59.70 59.36 2dfs h MET 145 Cb 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.58 2dfs h MET 145 CO -0.04 0.83 -1.61 1.79 -0.00 0.00 0.00 176.91 177.88 2dfs h THR 146 N 0.39 0.92 0.00 -0.10 1.35 -1.23 -3.37 112.91 110.86 2dfs h THR 146 Ca 0.07 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 2dfs h THR 146 Cb 0.63 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2dfs h THR 146 CO 0.04 0.76 0.00 0.00 -0.25 0.00 0.00 175.52 176.07 2dfs n ALA 147 N -2.97 1.92 0.69 6.62 0.00 0.37 -5.11 120.51 122.03 2dfs n ALA 147 Ca -0.27 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.16 2dfs n ALA 147 Cb 0.96 -1.32 0.33 0.00 0.00 0.00 0.00 19.45 19.42 2dfs n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13