#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 -2.98 -0.05 6.66 -1.04 -1.26 -4.90 114.28 110.70 1ggw n THR 3 Ca 0.00 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.85 1ggw n THR 3 Cb 0.00 -3.69 -0.04 0.00 -1.82 0.00 0.00 70.33 64.78 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ggw n ASP 4 N -2.97 1.59 -4.56 8.00 8.00 -1.26 -4.93 116.55 120.42 1ggw n ASP 4 Ca -0.02 0.07 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 1ggw n ASP 4 Cb 0.56 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ggw s ASP 5 N -5.65 5.31 0.08 -2.24 1.11 -1.26 -4.87 116.67 109.16 1ggw s ASP 5 Ca -0.15 0.52 -0.18 0.00 0.18 0.00 0.00 52.55 52.92 1ggw s ASP 5 Cb 0.05 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.43 1ggw s ASP 5 CO 0.21 -2.31 1.49 -1.28 1.18 0.00 0.00 175.17 174.46 1ggw h SER 6 N 14.93 0.46 1.05 0.27 0.87 -1.94 0.45 113.55 129.63 1ggw h SER 6 Ca -0.27 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 1ggw h SER 6 Cb 1.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1ggw h SER 6 CO 1.19 0.70 0.00 -2.65 -0.53 0.00 0.00 176.83 175.53 1ggw n PRO 7 N -4.59 0.17 0.04 2.24 -0.02 -1.26 -0.32 135.00 131.25 1ggw n PRO 7 Ca -0.04 0.25 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1ggw n PRO 7 Cb 0.28 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ggw n TYR 8 N -2.04 0.00 0.28 6.00 4.01 -1.18 -4.52 117.16 119.71 1ggw n TYR 8 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1ggw n TYR 8 Cb 0.32 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N -0.05 -0.75 -0.17 -0.72 1.63 -0.51 -0.62 116.57 115.38 1ggw h LYS 9 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1ggw h LYS 9 Cb 0.05 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1ggw h LYS 9 CO 0.00 -0.49 0.11 0.37 -3.45 0.00 0.00 179.45 175.99 1ggw h GLN 10 N -1.20 0.23 -0.87 1.90 5.75 -0.61 -2.51 115.11 117.80 1ggw h GLN 10 Ca -0.08 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1ggw h GLN 10 Cb 0.60 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.04 1ggw h GLN 10 CO 0.13 0.18 0.57 0.00 -2.65 0.00 0.00 178.83 177.06 1ggw h ALA 11 N 1.04 1.55 -0.31 3.38 0.00 -0.78 -2.04 119.26 122.11 1ggw h ALA 11 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ggw h ALA 11 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ggw h ALA 11 CO -0.01 0.32 0.18 0.35 0.00 0.00 0.00 179.25 180.09 1ggw h PHE 12 N 0.97 0.35 -0.06 0.00 3.04 -0.68 -2.17 116.94 118.39 1ggw h PHE 12 Ca 0.37 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.31 1ggw h PHE 12 Cb 0.21 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1ggw h PHE 12 CO -0.00 0.21 -0.07 1.03 -2.02 0.00 0.00 178.31 177.45 1ggw h SER 13 N 0.38 0.08 -0.79 0.41 0.87 -1.04 -2.65 113.55 110.80 1ggw h SER 13 Ca 0.12 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1ggw h SER 13 Cb -0.01 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1ggw h SER 13 CO -0.05 0.17 0.35 -0.07 -0.53 0.00 0.00 176.83 176.69 1ggw h LEU 14 N 0.08 1.08 -3.64 2.23 3.38 -0.87 -2.77 115.31 114.79 1ggw h LEU 14 Ca 0.02 -0.15 -0.45 0.00 0.09 0.00 0.00 57.88 57.39 1ggw h LEU 14 Cb 0.19 -0.28 -0.24 0.00 0.09 0.00 0.00 40.66 40.42 1ggw h LEU 14 CO 0.01 0.93 0.58 0.49 0.09 0.00 0.00 178.44 180.54 1ggw n PHE 15 N -4.29 2.46 -2.92 1.13 3.72 -1.00 -4.90 117.46 111.66 1ggw n PHE 15 Ca 0.08 -1.91 -0.43 0.00 -0.05 0.00 0.00 57.45 55.13 1ggw n PHE 15 Cb 0.17 -0.95 -0.04 0.00 -0.94 0.00 0.00 39.48 37.71 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ggw s ASP 16 N -0.87 6.25 0.21 4.37 -1.08 -1.05 -4.73 116.67 119.76 1ggw s ASP 16 Ca 0.47 -0.75 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 1ggw s ASP 16 Cb 0.38 -2.39 0.16 0.00 -1.46 0.00 0.00 42.92 39.61 1ggw s ASP 16 CO 0.05 -1.24 1.53 0.03 0.52 0.00 0.00 175.17 176.07 1ggw h ARG 17 N 9.34 0.47 0.15 4.34 2.47 -1.91 -3.29 114.38 125.95 1ggw h ARG 17 Ca -0.28 -0.29 -0.34 0.00 -1.26 0.00 0.00 59.98 57.81 1ggw h ARG 17 Cb 1.08 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1ggw h ARG 17 CO 1.10 0.89 -1.76 0.45 0.56 0.00 0.00 179.97 181.21 1ggw h HIS 18 N 0.36 0.58 0.00 3.04 3.86 -1.91 -3.49 115.15 117.60 1ggw h HIS 18 Ca 0.01 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1ggw h HIS 18 Cb 1.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1ggw h HIS 18 CO 0.04 1.62 0.00 0.41 0.86 0.00 0.00 177.93 180.85 1ggw n GLY 19 N 1.84 0.34 0.09 2.45 0.00 -1.24 -4.92 105.19 103.75 1ggw n GLY 19 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1ggw n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ggw h THR 20 N 0.00 1.08 0.00 2.61 1.35 -1.94 -3.48 112.91 112.53 1ggw h THR 20 Ca 0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 1ggw h THR 20 Cb 0.00 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1ggw h THR 20 CO 0.00 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1ggw n GLY 21 N 1.57 0.30 3.24 5.82 0.00 -1.26 -5.11 105.19 109.76 1ggw n GLY 21 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1ggw n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggw s ARG 22 N 0.00 1.03 -0.16 1.61 1.81 -1.26 -3.54 118.95 118.44 1ggw s ARG 22 Ca 0.00 -1.36 -0.08 0.00 -1.72 0.00 0.00 55.73 52.57 1ggw s ARG 22 Cb 0.00 -0.72 0.06 0.00 -0.45 0.00 0.00 34.95 33.84 1ggw s ARG 22 CO 0.00 0.11 0.38 0.96 -0.68 0.00 0.00 175.30 176.07 1ggw s ILE 23 N -2.83 -0.06 0.76 1.52 -4.36 -0.77 -3.96 121.20 111.50 1ggw s ILE 23 Ca 0.13 0.11 -0.08 0.00 -0.26 0.00 0.00 60.65 60.55 1ggw s ILE 23 Cb -0.01 -0.57 0.10 0.00 1.25 0.00 0.00 42.46 43.23 1ggw s ILE 23 CO 0.02 0.05 1.08 -2.16 0.24 0.00 0.00 174.94 174.16 1ggw s PRO 24 N 1.44 1.83 0.38 0.37 0.04 -1.26 -2.74 135.00 135.06 1ggw s PRO 24 Ca -0.09 -0.39 0.20 0.00 0.04 0.00 0.00 61.00 60.76 1ggw s PRO 24 Cb -0.09 -2.12 1.19 0.00 0.04 0.00 0.00 34.50 33.52 1ggw s PRO 24 CO -0.12 -1.50 1.68 1.57 0.04 0.00 0.00 177.00 178.67 1ggw h LYS 25 N -0.80 0.26 -0.61 4.56 2.10 -1.92 0.21 116.57 120.37 1ggw h LYS 25 Ca -0.43 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.30 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1ggw h LYS 25 CO 0.54 0.17 0.37 1.79 -2.00 0.00 0.00 179.45 180.32 1ggw h THR 26 N 0.27 1.18 -0.04 0.07 1.35 -1.95 -1.97 112.91 111.82 1ggw h THR 26 Ca 0.73 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 66.16 1ggw h THR 26 Cb 1.90 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1ggw h THR 26 CO -0.48 0.19 -0.05 0.28 -0.25 0.00 0.00 175.52 175.21 1ggw h SER 27 N 0.83 0.12 -0.60 5.36 0.02 -0.95 -3.19 113.55 115.13 1ggw h SER 27 Ca 0.22 -0.50 0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1ggw h SER 27 Cb -0.02 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1ggw h SER 27 CO -0.04 0.60 0.40 0.40 -1.14 0.00 0.00 176.83 177.05 1ggw h ILE 28 N -0.35 0.89 0.03 3.27 1.08 -1.26 -0.06 117.51 121.10 1ggw h ILE 28 Ca 0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1ggw h ILE 28 Cb 0.56 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1ggw h ILE 28 CO 0.01 0.07 -0.03 1.23 -0.69 0.00 0.00 178.15 178.75 1ggw h GLY 29 N 0.40 -0.66 1.91 5.37 0.00 -1.34 0.19 103.07 108.94 1ggw h GLY 29 Ca 0.28 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.85 1ggw h GLY 29 CO -0.08 -0.25 -0.12 1.29 0.00 0.00 0.00 176.54 177.38 1ggw h ASP 30 N -0.06 0.11 0.12 0.19 3.04 -1.62 -2.52 116.42 115.69 1ggw h ASP 30 Ca -0.00 -0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 1ggw h ASP 30 Cb 0.05 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 1ggw h ASP 30 CO -0.00 0.25 -0.06 0.25 -2.04 0.00 0.00 179.24 177.64 1ggw h LEU 31 N 0.11 -0.14 -1.62 0.15 5.85 -0.87 -2.59 115.31 116.21 1ggw h LEU 31 Ca 0.02 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ggw h LEU 31 Cb 0.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ggw h LEU 31 CO 0.02 -0.04 0.05 -0.07 -0.34 0.00 0.00 178.44 178.06 1ggw h LEU 32 N -0.23 0.26 -1.41 2.25 3.38 -0.40 -2.31 115.31 116.85 1ggw h LEU 32 Ca -0.02 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1ggw h LEU 32 Cb 0.19 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1ggw h LEU 32 CO 0.03 0.27 0.54 -0.09 0.09 0.00 0.00 178.44 179.28 1ggw h ARG 33 N 0.29 0.58 -0.78 1.13 2.43 -1.05 -0.91 114.38 116.07 1ggw h ARG 33 Ca 0.07 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1ggw h ARG 33 Cb 0.12 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1ggw h ARG 33 CO -0.00 0.38 0.52 0.00 -1.51 0.00 0.00 179.97 179.36 1ggw h ALA 34 N 1.62 1.56 -0.33 2.80 0.00 -1.36 -2.39 119.26 121.16 1ggw h ALA 34 Ca 0.40 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ggw h ALA 34 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ggw h ALA 34 CO -0.16 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.40 1ggw n GLY 36 N -0.25 -1.92 3.31 0.00 0.00 -0.90 -5.17 105.19 100.26 1ggw n GLY 36 Ca -0.02 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 1ggw n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggw s GLN 37 N -1.05 1.31 -0.12 1.61 -0.21 -1.24 -4.87 119.66 115.09 1ggw s GLN 37 Ca 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 53.72 1ggw s GLN 37 Cb 0.00 -0.50 0.02 0.00 1.00 0.00 0.00 33.01 33.53 1ggw s GLN 37 CO 0.00 -0.14 -0.12 1.21 -2.12 0.00 0.00 175.29 174.13 1ggw s ASN 38 N -3.29 2.36 0.19 5.90 3.84 -1.26 -3.05 114.94 119.64 1ggw s ASN 38 Ca 0.29 -0.39 0.00 0.00 0.21 0.00 0.00 52.86 52.97 1ggw s ASN 38 Cb 0.06 -1.00 0.00 0.00 -0.55 0.00 0.00 41.25 39.76 1ggw s ASN 38 CO 0.09 -0.06 0.00 -0.81 -2.79 0.00 0.00 177.10 173.53 1ggw n PRO 39 N 4.64 0.81 -2.66 0.43 -0.04 -1.26 -5.00 135.00 131.92 1ggw n PRO 39 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1ggw n PRO 39 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.19 3.47 0.54 0.52 -4.23 -1.26 -4.97 115.64 109.51 1ggw s THR 40 Ca 0.00 -0.35 0.23 0.00 -1.18 0.00 0.00 61.69 60.39 1ggw s THR 40 Cb 0.00 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.86 1ggw s THR 40 CO 0.00 -0.28 2.06 -0.07 -0.54 0.00 0.00 174.62 175.79 1ggw h LEU 41 N 0.06 0.00 -0.90 4.79 -0.00 -1.98 -0.52 115.31 116.76 1ggw h LEU 41 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.40 1ggw h LEU 41 Cb 1.27 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.89 1ggw h LEU 41 CO 0.58 0.00 0.41 0.00 -0.00 0.00 0.00 178.44 179.43 1ggw h ALA 42 N 1.82 1.14 0.30 1.53 0.00 -1.98 -0.41 119.26 121.66 1ggw h ALA 42 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ggw h ALA 42 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ggw h ALA 42 CO -0.00 0.66 -0.14 0.93 0.00 0.00 0.00 179.25 180.69 1ggw h GLU 43 N 1.19 -0.39 -0.55 0.00 3.07 -1.47 0.98 114.58 117.42 1ggw h GLU 43 Ca 0.29 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1ggw h GLU 43 Cb 0.11 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1ggw h GLU 43 CO -0.04 -0.15 0.34 -0.84 -1.40 0.00 0.00 179.01 176.92 1ggw h ILE 44 N -0.57 1.08 -0.92 3.13 -2.65 -1.43 -1.90 117.51 114.24 1ggw h ILE 44 Ca -0.04 -0.23 -0.01 0.00 1.03 0.00 0.00 64.86 65.60 1ggw h ILE 44 Cb 0.42 0.34 -0.04 0.00 -2.05 0.00 0.00 36.82 35.49 1ggw h ILE 44 CO 0.07 0.12 0.52 0.74 0.03 0.00 0.00 178.15 179.63 1ggw h THR 45 N 0.67 1.26 -0.92 0.16 2.02 -1.01 -1.94 112.91 113.15 1ggw h THR 45 Ca 0.22 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1ggw h THR 45 Cb -0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 1ggw h THR 45 CO -0.09 0.29 0.60 -0.33 0.37 0.00 0.00 175.52 176.37 1ggw h GLU 46 N 1.28 1.06 -0.25 6.66 5.08 -0.06 -1.73 114.58 126.62 1ggw h GLU 46 Ca 0.33 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1ggw h GLU 46 Cb 0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1ggw h GLU 46 CO -0.05 0.70 0.09 0.82 -1.00 0.00 0.00 179.01 179.56 1ggw h ILE 47 N 1.09 1.19 -0.22 3.13 2.04 -0.65 -2.31 117.51 121.77 1ggw h ILE 47 Ca 0.39 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1ggw h ILE 47 Cb 0.14 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ggw h ILE 47 CO -0.14 0.19 0.20 -0.33 0.00 0.00 0.00 178.15 178.07 1ggw h GLU 48 N 0.25 0.00 0.00 2.37 5.08 -0.81 -1.21 114.58 120.25 1ggw h GLU 48 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ggw h GLU 48 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ggw h GLU 48 CO -0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 1ggw n SER 49 N -4.04 0.00 -0.01 1.42 2.88 -0.77 -2.97 113.62 110.13 1ggw n SER 49 Ca 0.02 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1ggw n SER 49 Cb 0.33 -0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ggw n THR 50 N -1.28 0.10 -3.99 2.46 -2.24 -0.47 -5.06 114.28 103.80 1ggw n THR 50 Ca 0.04 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 1ggw n THR 50 Cb 0.06 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1ggw n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ggw s LEU 51 N -4.50 3.82 0.99 3.22 1.43 -1.16 -5.10 118.68 117.39 1ggw s LEU 51 Ca -0.01 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1ggw s LEU 51 Cb 0.01 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1ggw s LEU 51 CO 0.05 -0.14 -0.33 -2.65 0.23 0.00 0.00 176.35 173.51 1ggw n PRO 52 N -1.27 -0.28 -0.06 1.29 -0.02 -1.26 -4.73 135.00 128.66 1ggw n PRO 52 Ca -0.06 -0.07 -0.03 0.00 -2.02 0.00 0.00 63.50 61.32 1ggw n PRO 52 Cb 0.58 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw h ALA 53 N -1.33 -0.29 -2.20 3.55 0.00 -1.99 -3.37 119.26 113.62 1ggw h ALA 53 Ca -0.44 0.01 -0.59 0.00 0.00 0.00 0.00 54.91 53.89 1ggw h ALA 53 Cb 1.31 0.93 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 1ggw h ALA 53 CO 0.29 -0.37 0.59 -1.21 0.00 0.00 0.00 179.25 178.55 1ggw s GLU 54 N -3.62 4.19 -0.80 0.00 2.02 -1.26 -4.89 118.70 114.35 1ggw s GLU 54 Ca -0.03 1.07 -0.23 0.00 0.02 0.00 0.00 54.97 55.80 1ggw s GLU 54 Cb 0.02 -3.65 0.07 0.00 0.10 0.00 0.00 34.13 30.67 1ggw s GLU 54 CO 0.15 -0.58 1.16 0.08 0.02 0.00 0.00 175.26 176.10 1ggw s VAL 55 N 2.99 4.18 0.84 2.63 1.01 -1.11 -4.81 120.40 126.14 1ggw s VAL 55 Ca 0.38 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1ggw s VAL 55 Cb -0.15 -4.83 0.13 0.00 0.00 0.00 0.00 36.38 31.53 1ggw s VAL 55 CO 0.07 -1.66 1.18 1.51 0.00 0.00 0.00 175.10 176.21 1ggw s ASP 56 N 3.93 3.96 0.32 3.32 1.47 -1.26 -1.84 116.67 126.57 1ggw s ASP 56 Ca 0.32 0.36 0.08 0.00 1.18 0.00 0.00 52.55 54.48 1ggw s ASP 56 Cb -0.09 -0.67 0.91 0.00 -0.34 0.00 0.00 42.92 42.73 1ggw s ASP 56 CO 0.04 -2.19 1.61 0.24 0.68 0.00 0.00 175.17 175.54 1ggw h MET 57 N -1.15 0.11 0.06 2.11 2.86 -1.95 0.26 114.93 117.23 1ggw h MET 57 Ca -0.44 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1ggw h MET 57 Cb 1.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1ggw h MET 57 CO 0.50 0.07 -0.03 1.49 1.06 0.00 0.00 176.91 180.00 1ggw h GLU 58 N 0.11 -0.08 -0.03 1.72 4.81 -1.92 -1.72 114.58 117.48 1ggw h GLU 58 Ca 0.66 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.91 1ggw h GLU 58 Cb 1.48 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 1ggw h GLU 58 CO -0.76 0.29 -0.10 1.96 -0.73 0.00 0.00 179.01 179.67 1ggw h GLN 59 N -0.45 -0.14 -0.07 1.92 4.20 -1.37 0.18 115.11 119.38 1ggw h GLN 59 Ca -0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ggw h GLN 59 Cb 0.40 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ggw h GLN 59 CO 0.01 -0.10 0.04 0.35 -0.67 0.00 0.00 178.83 178.47 1ggw h PHE 60 N -0.15 0.09 -0.13 2.96 3.57 -1.12 -2.56 116.94 119.60 1ggw h PHE 60 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.21 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1ggw h PHE 60 CO -0.17 0.14 0.01 -0.07 -2.23 0.00 0.00 178.31 175.98 1ggw h LEU 61 N 0.02 0.16 0.42 0.59 3.38 -1.14 -1.47 115.31 117.28 1ggw h LEU 61 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ggw h LEU 61 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ggw h LEU 61 CO -0.00 0.19 -0.20 -0.61 0.09 0.00 0.00 178.44 177.91 1ggw h GLN 62 N 0.18 -0.54 -0.58 1.13 5.75 -0.24 0.39 115.11 121.19 1ggw h GLN 62 Ca 0.05 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1ggw h GLN 62 Cb 0.11 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 1ggw h GLN 62 CO 0.00 -0.27 0.20 -0.39 -2.65 0.00 0.00 178.83 175.72 1ggw h VAL 63 N -0.75 1.23 0.01 2.39 -1.51 -1.34 -2.50 116.25 113.78 1ggw h VAL 63 Ca -0.06 -0.77 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1ggw h VAL 63 Cb 0.52 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1ggw h VAL 63 CO 0.09 0.29 -0.00 0.25 -1.23 0.00 0.00 177.57 176.98 1ggw h LEU 64 N 0.82 -0.01 -4.86 4.19 6.46 -1.26 -3.18 115.31 117.47 1ggw h LEU 64 Ca 0.19 -0.26 -0.65 0.00 -0.12 0.00 0.00 57.88 57.05 1ggw h LEU 64 Cb 0.25 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 39.96 1ggw h LEU 64 CO -0.01 0.25 0.81 0.59 -0.62 0.00 0.00 178.44 179.46 1ggw n ASN 65 N -4.97 7.07 0.43 1.25 4.13 0.14 -4.64 115.26 118.67 1ggw n ASN 65 Ca -0.08 -3.52 -0.19 0.00 1.68 0.00 0.00 54.58 52.47 1ggw n ASN 65 Cb 0.15 -1.16 -0.09 0.00 -1.54 0.00 0.00 39.78 37.14 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1ggw h ARG 66 N 3.10 -1.03 -0.84 3.52 2.47 -1.43 -2.98 114.38 117.20 1ggw h ARG 66 Ca 0.49 0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.28 1ggw h ARG 66 Cb 0.36 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1ggw h ARG 66 CO 1.18 -0.68 0.00 -0.35 0.56 0.00 0.00 179.97 180.68 1ggw n PRO 67 N -5.54 2.16 -2.81 0.04 -0.04 -1.26 -4.95 135.00 122.61 1ggw n PRO 67 Ca -0.15 -0.96 -0.03 0.00 -0.04 0.00 0.00 63.50 62.33 1ggw n PRO 67 Cb 0.43 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1ggw n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ggw n ASN 68 N 0.19 -7.87 0.00 3.54 5.15 -1.13 -4.93 115.26 110.21 1ggw n ASN 68 Ca 0.08 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 1ggw n ASN 68 Cb 0.52 -5.01 0.00 0.00 -0.53 0.00 0.00 39.78 34.77 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ggw n GLY 69 N 0.48 -1.82 0.15 8.20 0.00 -1.26 -4.97 105.19 105.97 1ggw n GLY 69 Ca 0.03 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N 0.30 0.00 -0.83 1.61 3.72 -1.26 -4.66 117.46 116.34 1ggw n PHE 70 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1ggw n PHE 70 Cb 0.00 -0.45 0.34 0.00 -0.94 0.00 0.00 39.48 38.43 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ggw n ASP 71 N -4.33 4.83 -0.04 4.37 5.75 -1.26 -4.48 116.55 121.39 1ggw n ASP 71 Ca -0.13 -2.80 -0.21 0.00 -0.01 0.00 0.00 54.79 51.64 1ggw n ASP 71 Cb 0.47 -0.60 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 1ggw n ASP 71 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1ggw h MET 72 N 3.25 0.15 -0.89 0.11 4.05 -1.93 -3.38 114.93 116.29 1ggw h MET 72 Ca 0.00 -0.25 0.15 0.00 -0.28 0.00 0.00 59.70 59.32 1ggw h MET 72 Cb 1.64 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 32.44 1ggw h MET 72 CO 0.33 1.12 0.48 -1.35 0.23 0.00 0.00 176.91 177.72 1ggw h PRO 73 N -0.52 0.65 0.00 0.39 0.11 -1.82 -3.48 132.00 127.32 1ggw h PRO 73 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ggw h PRO 73 Cb 1.61 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1ggw h PRO 73 CO -0.04 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1ggw n GLY 74 N -1.33 0.89 3.89 -0.55 0.00 -1.26 -5.00 105.19 101.83 1ggw n GLY 74 Ca 0.18 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1ggw n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggw s ASP 75 N 0.00 5.56 0.35 1.61 1.11 -1.26 -4.91 116.67 119.13 1ggw s ASP 75 Ca 0.00 1.12 0.07 0.00 0.18 0.00 0.00 52.55 53.92 1ggw s ASP 75 Cb 0.00 -1.97 0.76 0.00 1.07 0.00 0.00 42.92 42.77 1ggw s ASP 75 CO 0.00 -1.25 1.89 -0.65 1.18 0.00 0.00 175.17 176.34 1ggw h PRO 76 N -0.56 0.74 0.00 8.23 0.11 -1.99 -0.70 132.00 137.84 1ggw h PRO 76 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1ggw h PRO 76 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ggw h PRO 76 CO 0.63 0.49 -0.40 1.05 -0.21 0.00 0.00 178.00 179.56 1ggw h GLU 77 N 0.76 0.00 -0.04 1.05 9.09 -1.97 -2.65 114.58 120.82 1ggw h GLU 77 Ca 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.80 1ggw h GLU 77 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1ggw h GLU 77 CO -0.18 0.40 -0.05 0.93 0.05 0.00 0.00 179.01 180.17 1ggw h GLU 78 N 0.00 0.11 -0.70 1.06 5.08 -1.49 -1.75 114.58 116.89 1ggw h GLU 78 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1ggw h GLU 78 Cb 0.82 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1ggw h GLU 78 CO 0.05 0.58 0.16 0.27 -1.00 0.00 0.00 179.01 179.08 1ggw h PHE 79 N -0.36 1.18 -0.26 4.33 -5.15 -1.51 -1.84 116.94 113.32 1ggw h PHE 79 Ca 0.01 -0.14 -0.03 0.00 -0.20 0.00 0.00 57.97 57.61 1ggw h PHE 79 Cb 0.56 -0.33 -0.01 0.00 0.22 0.00 0.00 35.95 36.39 1ggw h PHE 79 CO 0.10 0.96 0.06 0.28 -2.00 0.00 0.00 178.31 177.70 1ggw h VAL 80 N 1.06 1.22 -0.86 0.88 2.07 -1.51 -2.73 116.25 116.38 1ggw h VAL 80 Ca 0.22 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1ggw h VAL 80 Cb 0.38 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1ggw h VAL 80 CO 0.00 0.23 0.41 0.50 0.02 0.00 0.00 177.57 178.74 1ggw h LYS 81 N 0.25 1.23 -0.44 1.57 1.63 -1.20 0.71 116.57 120.32 1ggw h LYS 81 Ca 0.08 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1ggw h LYS 81 Cb 0.29 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1ggw h LYS 81 CO 0.00 0.94 0.27 0.78 -3.45 0.00 0.00 179.45 178.00 1ggw h GLY 82 N 1.22 0.63 2.00 5.01 0.00 -1.24 -2.71 103.07 107.98 1ggw h GLY 82 Ca 0.29 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1ggw h GLY 82 CO -0.04 0.25 -0.63 0.74 0.00 0.00 0.00 176.54 176.86 1ggw h PHE 83 N 0.58 0.00 0.00 5.60 0.04 -1.33 -3.17 116.94 118.67 1ggw h PHE 83 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1ggw h PHE 83 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1ggw h PHE 83 CO -0.04 0.63 0.00 0.37 -0.60 0.00 0.00 178.31 178.68 1ggw h GLN 84 N 0.00 0.00 -0.57 1.51 4.15 -0.53 -1.82 115.11 117.84 1ggw h GLN 84 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1ggw h GLN 84 Cb 1.33 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.91 1ggw h GLN 84 CO 0.08 0.00 -0.42 0.28 -1.93 0.00 0.00 178.83 176.85 1ggw h VAL 85 N 0.00 0.10 0.00 2.39 2.07 -1.49 -3.23 116.25 116.10 1ggw h VAL 85 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ggw h VAL 85 Cb 0.24 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1ggw h VAL 85 CO 0.00 0.00 -0.26 0.49 0.02 0.00 0.00 177.57 177.82 1ggw n PHE 86 N -5.41 0.00 -3.14 1.57 3.01 -1.22 -4.88 117.46 107.38 1ggw n PHE 86 Ca 0.02 -0.42 -0.22 0.00 1.01 0.00 0.00 57.45 57.84 1ggw n PHE 86 Cb 0.35 -0.09 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ggw n ASP 87 N -0.60 -0.08 0.17 4.37 9.92 -0.69 -4.98 116.55 124.66 1ggw n ASP 87 Ca 0.06 -2.80 -0.14 0.00 -0.53 0.00 0.00 54.79 51.39 1ggw n ASP 87 Cb 0.65 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ggw h LYS 88 N 3.87 -0.43 0.00 -1.24 1.57 -1.78 -3.36 116.57 115.20 1ggw h LYS 88 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ggw h LYS 88 Cb 0.91 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1ggw h LYS 88 CO 0.45 -0.14 -0.10 0.22 -0.57 0.00 0.00 179.45 179.31 1ggw h ASP 89 N -0.71 0.00 -5.73 0.86 3.58 -1.94 -3.48 116.42 108.99 1ggw h ASP 89 Ca -0.05 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.30 1ggw h ASP 89 Cb 0.49 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1ggw h ASP 89 CO 0.07 0.37 -0.85 0.00 -2.88 0.00 0.00 179.24 175.96 1ggw n ALA 90 N -2.70 -2.79 -0.12 -0.78 0.00 -1.26 -5.00 120.51 107.86 1ggw n ALA 90 Ca -0.01 0.70 -0.22 0.00 0.00 0.00 0.00 53.44 53.90 1ggw n ALA 90 Cb 0.05 -2.50 -0.08 0.00 0.00 0.00 0.00 19.45 16.92 1ggw n ALA 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ggw n THR 91 N 0.09 1.52 -2.46 0.00 -2.24 -1.26 -4.77 114.28 105.16 1ggw n THR 91 Ca 0.03 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1ggw n THR 91 Cb 0.44 -2.06 0.03 0.00 -2.10 0.00 0.00 70.33 66.65 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 92 N 1.34 3.99 3.64 3.38 0.00 -1.26 -5.05 105.19 111.24 1ggw n GLY 92 Ca -0.39 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 1ggw n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 93 N -3.63 0.37 -0.10 1.61 -2.45 -1.26 -4.51 119.30 109.33 1ggw s MET 93 Ca 0.39 0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 55.31 1ggw s MET 93 Cb 0.38 0.16 -0.06 0.00 1.25 0.00 0.00 34.83 36.55 1ggw s MET 93 CO -0.02 -0.05 -0.11 1.51 1.05 0.00 0.00 175.02 177.40 1ggw n ILE 94 N 2.48 0.59 -2.55 10.11 0.00 -1.26 -4.72 119.36 124.00 1ggw n ILE 94 Ca -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 62.75 62.36 1ggw n ILE 94 Cb 0.56 -1.13 0.01 0.00 0.00 0.00 0.00 39.64 39.08 1ggw n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ggw n GLY 95 N 2.78 -1.17 0.45 4.50 0.00 -1.17 -4.67 105.19 105.91 1ggw n GLY 95 Ca -0.19 0.93 0.32 0.00 0.00 0.00 0.00 46.02 47.07 1ggw n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggw h VAL 96 N 1.49 0.29 -0.86 1.61 2.07 -0.66 -0.50 116.25 119.69 1ggw h VAL 96 Ca 0.00 -0.07 0.21 0.00 0.82 0.00 0.00 66.70 67.67 1ggw h VAL 96 Cb 0.78 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.50 1ggw h VAL 96 CO 0.16 0.04 0.30 1.23 0.02 0.00 0.00 177.57 179.31 1ggw h GLY 97 N 0.20 1.38 0.30 2.17 0.00 -1.29 1.08 103.07 106.90 1ggw h GLY 97 Ca 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1ggw h GLY 97 CO -0.34 -0.29 -0.00 0.83 0.00 0.00 0.00 176.54 176.74 1ggw h GLU 98 N 0.31 -0.01 -0.67 4.80 3.07 -1.38 -2.79 114.58 117.90 1ggw h GLU 98 Ca 0.53 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.42 1ggw h GLU 98 Cb 1.01 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.89 1ggw h GLU 98 CO -0.57 0.68 0.44 1.37 -1.40 0.00 0.00 179.01 179.54 1ggw h LEU 99 N -0.71 0.71 0.04 1.33 8.10 -1.28 -2.61 115.31 120.89 1ggw h LEU 99 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1ggw h LEU 99 Cb 0.69 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1ggw h LEU 99 CO 0.00 0.50 -0.02 -0.09 -4.11 0.00 0.00 178.44 174.72 1ggw h ARG 100 N 0.83 -0.05 -0.87 0.17 2.43 0.11 -2.21 114.38 114.79 1ggw h ARG 100 Ca 0.26 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.57 1ggw h ARG 100 Cb 0.03 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1ggw h ARG 100 CO -0.07 0.16 0.48 -0.92 -1.51 0.00 0.00 179.97 178.11 1ggw h TYR 101 N -0.26 0.85 0.19 2.20 3.20 -1.19 0.41 116.97 122.38 1ggw h TYR 101 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ggw h TYR 101 Cb 0.23 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1ggw h TYR 101 CO -0.01 0.25 -0.09 0.28 -1.64 0.00 0.00 178.16 176.96 1ggw h VAL 102 N 0.71 0.88 -0.58 1.81 2.07 -1.34 -2.65 116.25 117.15 1ggw h VAL 102 Ca 0.46 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 1ggw h VAL 102 Cb 0.59 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1ggw h VAL 102 CO -0.33 0.07 0.01 -0.07 0.02 0.00 0.00 177.57 177.27 1ggw h LEU 103 N -0.40 0.99 -1.67 2.57 3.38 -0.84 -2.91 115.31 116.42 1ggw h LEU 103 Ca -0.03 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1ggw h LEU 103 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ggw h LEU 103 CO 0.04 1.05 0.31 0.74 0.09 0.00 0.00 178.44 180.67 1ggw h THR 104 N 0.90 0.98 0.00 0.22 2.02 -0.18 -0.47 112.91 116.38 1ggw h THR 104 Ca 0.16 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ggw h THR 104 Cb 0.54 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1ggw h THR 104 CO 0.03 0.07 0.00 0.28 0.37 0.00 0.00 175.52 176.27 1ggw h SER 105 N 0.41 0.00 0.53 4.18 0.02 -1.27 -2.73 113.55 114.69 1ggw h SER 105 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1ggw h SER 105 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1ggw h SER 105 CO -0.05 0.00 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.31 1ggw h LEU 106 N 0.00 -0.61 -5.00 5.07 3.38 -1.06 -3.45 115.31 113.64 1ggw h LEU 106 Ca 0.00 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1ggw h LEU 106 Cb 0.65 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 1ggw h LEU 106 CO 0.00 -0.24 -0.10 0.61 0.09 0.00 0.00 178.44 178.79 1ggw n GLY 107 N -0.18 0.09 3.46 0.83 0.00 -1.23 -4.99 105.19 103.16 1ggw n GLY 107 Ca -0.09 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1ggw n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggw n GLU 108 N -0.29 -6.79 0.00 1.61 4.71 -1.03 -5.02 120.64 113.83 1ggw n GLU 108 Ca -0.11 0.84 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 1ggw n GLU 108 Cb 0.74 -5.86 0.00 0.00 -1.01 0.00 0.00 31.44 25.31 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ggw n LYS 109 N -4.25 3.01 -1.84 3.49 4.76 -1.24 -4.62 118.16 117.48 1ggw n LYS 109 Ca -0.25 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.91 1ggw n LYS 109 Cb 0.66 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.77 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ggw n LEU 110 N 0.00 2.87 0.00 -0.35 4.77 -1.26 -4.85 117.00 118.17 1ggw n LEU 110 Ca 0.00 -2.99 -0.03 0.00 -0.03 0.00 0.00 56.01 52.95 1ggw n LEU 110 Cb 0.00 -1.63 0.03 0.00 -2.33 0.00 0.00 43.42 39.49 1ggw n LEU 110 CO 0.00 -1.95 0.07 -1.54 -1.33 0.00 0.00 177.39 172.64 1ggw n SER 111 N 14.31 -1.20 -0.33 -1.43 3.41 -1.26 -4.29 113.62 122.82 1ggw n SER 111 Ca 0.45 -0.54 0.22 0.00 -0.26 0.00 0.00 58.87 58.74 1ggw n SER 111 Cb 0.46 -0.11 0.48 0.00 -0.26 0.00 0.00 64.21 64.77 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -1.26 0.50 0.33 4.04 -0.73 -1.96 -0.43 115.58 116.06 1ggw h ASN 112 Ca -0.05 0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1ggw h ASN 112 Cb 0.14 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1ggw h ASN 112 CO 0.03 0.08 -0.16 -0.08 -0.37 0.00 0.00 177.43 176.93 1ggw h GLU 113 N 0.43 -0.42 -0.22 6.67 4.81 -1.96 0.12 114.58 124.01 1ggw h GLU 113 Ca 0.62 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.91 1ggw h GLU 113 Cb 1.48 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 1ggw h GLU 113 CO -0.35 -0.10 0.02 0.93 -0.73 0.00 0.00 179.01 178.78 1ggw h GLU 114 N -0.80 0.10 0.00 1.92 3.07 -1.66 -1.54 114.58 115.67 1ggw h GLU 114 Ca -0.04 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1ggw h GLU 114 Cb 0.52 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1ggw h GLU 114 CO 0.07 0.07 -0.28 0.00 -1.40 0.00 0.00 179.01 177.47 1ggw h MET 115 N 0.10 0.00 -0.34 2.33 -0.00 -1.17 -2.75 114.93 113.10 1ggw h MET 115 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.82 1ggw h MET 115 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.69 1ggw h MET 115 CO -0.15 0.28 0.19 -0.44 -0.00 0.00 0.00 176.91 176.78 1ggw h ASP 116 N 0.00 0.29 -0.34 -0.10 3.32 0.28 0.29 116.42 120.17 1ggw h ASP 116 Ca -0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1ggw h ASP 116 Cb 0.57 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1ggw h ASP 116 CO 0.04 0.21 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.43 1ggw h GLU 117 N 0.38 0.60 -0.84 3.56 5.08 -1.31 -0.58 114.58 121.47 1ggw h GLU 117 Ca 0.14 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ggw h GLU 117 Cb 0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1ggw h GLU 117 CO -0.08 0.73 0.55 1.37 -1.00 0.00 0.00 179.01 180.58 1ggw h LEU 118 N 0.40 0.94 -0.85 1.33 8.10 -1.19 -1.89 115.31 122.15 1ggw h LEU 118 Ca 0.09 -0.02 -0.12 0.00 0.11 0.00 0.00 57.88 57.95 1ggw h LEU 118 Cb 0.46 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.44 1ggw h LEU 118 CO 0.02 0.66 -0.57 -0.07 -4.11 0.00 0.00 178.44 174.37 1ggw h LEU 119 N 1.10 0.00 -0.77 0.17 3.38 -0.28 -2.84 115.31 116.07 1ggw h LEU 119 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1ggw h LEU 119 Cb -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ggw h LEU 119 CO -0.09 0.57 0.40 0.50 0.09 0.00 0.00 178.44 179.91 1ggw h LYS 120 N 0.00 1.10 -0.13 1.13 3.64 -0.29 -3.09 116.57 118.92 1ggw h LYS 120 Ca -0.01 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1ggw h LYS 120 Cb 1.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1ggw h LYS 120 CO 0.07 0.83 -0.36 0.78 -2.27 0.00 0.00 179.45 178.50 1ggw h GLY 121 N 1.08 0.53 -4.55 5.01 0.00 -1.40 -3.44 103.07 100.30 1ggw h GLY 121 Ca 0.27 -0.67 -0.54 0.00 0.00 0.00 0.00 47.33 46.39 1ggw h GLY 121 CO -0.04 0.60 0.25 0.14 0.00 0.00 0.00 176.54 177.49 1ggw s VAL 122 N -3.89 4.83 -1.42 4.60 1.01 -1.08 -4.96 120.40 119.49 1ggw s VAL 122 Ca -0.13 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.57 1ggw s VAL 122 Cb 0.06 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1ggw s VAL 122 CO 0.80 0.25 2.66 -0.81 0.00 0.00 0.00 175.10 178.00 1ggw n PRO 123 N 3.47 3.17 -4.46 2.72 -0.04 -1.26 -4.80 135.00 133.80 1ggw n PRO 123 Ca 0.02 -2.06 -0.24 0.00 -0.04 0.00 0.00 63.50 61.18 1ggw n PRO 123 Cb 0.51 -2.77 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 2.66 0.52 -0.37 0.52 -7.23 -1.26 -5.08 120.40 110.16 1ggw s VAL 124 Ca 0.60 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.87 1ggw s VAL 124 Cb 0.16 -2.40 0.45 0.00 0.56 0.00 0.00 36.38 35.14 1ggw s VAL 124 CO -0.05 0.00 1.08 0.29 -0.31 0.00 0.00 175.10 176.11 1ggw n LYS 125 N -0.83 2.72 0.00 4.82 5.02 -1.26 -4.75 118.16 123.89 1ggw n LYS 125 Ca -0.03 -4.04 0.00 0.00 -2.02 0.00 0.00 58.31 52.22 1ggw n LYS 125 Cb 0.65 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ggw n ASP 126 N -0.43 0.00 0.00 4.39 5.75 -1.26 -5.03 116.55 119.98 1ggw n ASP 126 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1ggw n ASP 126 Cb 0.77 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggw n GLY 127 N 0.00 0.76 3.48 6.12 0.00 -1.26 -0.87 105.19 113.41 1ggw n GLY 127 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N 0.24 3.51 0.00 1.61 0.00 -1.26 -0.54 119.30 122.86 1ggw s MET 128 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 55.69 55.08 1ggw s MET 128 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 34.83 31.25 1ggw s MET 128 CO 0.00 -0.35 0.93 0.28 0.00 0.00 0.00 175.02 175.88 1ggw n VAL 129 N 5.00 0.00 -1.85 10.11 0.31 -1.26 -4.92 118.33 125.72 1ggw n VAL 129 Ca -0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.00 1ggw n VAL 129 Cb 0.50 0.46 -0.06 0.00 -0.91 0.00 0.00 33.84 33.83 1ggw n VAL 129 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ggw n ASN 130 N 0.00 -5.23 -4.02 4.52 5.15 -1.26 -2.61 115.26 111.81 1ggw n ASN 130 Ca 0.00 0.32 -0.28 0.00 -0.60 0.00 0.00 54.58 54.02 1ggw n ASN 130 Cb 0.67 -4.55 -0.02 0.00 -0.53 0.00 0.00 39.78 35.35 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ggw n TYR 131 N -2.83 -1.70 0.01 1.20 4.19 -1.26 -4.84 117.16 111.93 1ggw n TYR 131 Ca -0.20 0.77 0.00 0.00 3.31 0.00 0.00 57.90 61.77 1ggw n TYR 131 Cb 0.65 -3.57 0.00 0.00 0.49 0.00 0.00 39.34 36.91 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1ggw n HIS 132 N -4.42 -0.02 -0.07 2.98 8.25 -1.07 -4.58 115.22 116.28 1ggw n HIS 132 Ca -0.21 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.28 1ggw n HIS 132 Cb 0.63 0.03 0.36 0.00 1.12 0.00 0.00 29.99 32.13 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1ggw h ASP 133 N 0.00 0.60 0.59 0.41 3.58 -1.89 0.26 116.42 119.97 1ggw h ASP 133 Ca 0.00 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1ggw h ASP 133 Cb 0.80 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.70 1ggw h ASP 133 CO 0.00 0.44 -0.28 -0.26 -2.88 0.00 0.00 179.24 176.26 1ggw h PHE 134 N 0.71 -0.73 -0.22 0.28 0.04 -1.90 -2.37 116.94 112.76 1ggw h PHE 134 Ca 0.19 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 1ggw h PHE 134 Cb -0.07 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1ggw h PHE 134 CO 0.00 -0.40 -0.01 0.28 -0.60 0.00 0.00 178.31 177.58 1ggw h VAL 135 N -1.09 1.14 0.05 -0.55 2.07 -1.78 -1.72 116.25 114.37 1ggw h VAL 135 Ca -0.08 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ggw h VAL 135 Cb 0.66 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1ggw h VAL 135 CO 0.13 0.18 -0.03 -0.61 0.02 0.00 0.00 177.57 177.27 1ggw h GLN 136 N 0.31 -0.07 -0.11 1.57 5.75 -0.45 -1.51 115.11 120.60 1ggw h GLN 136 Ca 0.07 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1ggw h GLN 136 Cb 0.22 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1ggw h GLN 136 CO 0.01 -0.04 -0.29 1.98 -2.65 0.00 0.00 178.83 177.83 1ggw h MET 137 N -0.08 0.20 -0.91 1.69 4.05 -1.19 -2.79 114.93 115.90 1ggw h MET 137 Ca -0.01 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1ggw h MET 137 Cb 0.06 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 1ggw h MET 137 CO 0.01 0.48 0.52 0.82 0.23 0.00 0.00 176.91 178.97 1ggw h ILE 138 N 0.18 1.26 -0.45 1.77 1.08 -0.81 -3.11 117.51 117.42 1ggw h ILE 138 Ca 0.03 -0.61 -0.65 0.00 -0.39 0.00 0.00 64.86 63.24 1ggw h ILE 138 Cb 0.62 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 1ggw h ILE 138 CO 0.04 0.28 2.86 0.18 -0.69 0.00 0.00 178.15 180.82 1ggw n LEU 139 N -4.34 8.14 -2.70 1.44 4.32 -0.61 -4.47 117.00 118.77 1ggw n LEU 139 Ca 0.10 -4.44 -0.03 0.00 -0.02 0.00 0.00 56.01 51.62 1ggw n LEU 139 Cb 0.08 -1.46 0.03 0.00 -1.62 0.00 0.00 43.42 40.45 1ggw n LEU 139 CO 0.38 2.03 0.37 0.00 -1.22 0.00 0.00 177.39 178.95 1ggw n ALA 140 N 2.72 -3.16 -0.17 -1.18 0.00 -1.18 -5.01 120.51 112.53 1ggw n ALA 140 Ca 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1ggw n ALA 140 Cb 0.31 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59