#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 0.00 0.08 0.44 -2.24 -1.26 -3.46 114.28 107.84 1ggw n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ggw n THR 3 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ggw n ASP 4 N 2.44 0.04 -3.81 3.42 8.00 -1.26 -5.04 116.55 120.34 1ggw n ASP 4 Ca 0.00 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.48 1ggw n ASP 4 Cb 0.00 0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 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 -5.12 4.17 0.13 -2.24 1.11 -1.22 -5.00 116.67 108.50 1ggw s ASP 5 Ca 0.00 -1.94 -0.17 0.00 0.18 0.00 0.00 52.55 50.62 1ggw s ASP 5 Cb 0.00 -1.10 -0.01 0.00 1.07 0.00 0.00 42.92 42.88 1ggw s ASP 5 CO 0.00 -0.38 1.73 -1.28 1.18 0.00 0.00 175.17 176.42 1ggw h SER 6 N 7.74 0.45 1.11 0.27 0.87 -1.95 0.58 113.55 122.61 1ggw h SER 6 Ca -0.09 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1ggw h SER 6 Cb 1.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1ggw h SER 6 CO 0.49 0.42 0.00 -2.65 -0.53 0.00 0.00 176.83 174.56 1ggw n PRO 7 N -4.76 0.22 0.03 2.24 -0.02 -1.26 -0.52 135.00 130.92 1ggw n PRO 7 Ca -0.01 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.77 1ggw n PRO 7 Cb 0.08 -1.81 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.20 0.00 0.33 6.00 4.01 -1.09 -4.51 117.16 119.70 1ggw n TYR 8 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1ggw n TYR 8 Cb 0.33 -0.03 -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 -0.06 -0.85 -0.28 -0.72 3.64 -0.22 0.54 116.57 118.63 1ggw h LYS 9 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ggw h LYS 9 Cb 0.06 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ggw h LYS 9 CO 0.00 -0.57 0.17 0.37 -2.27 0.00 0.00 179.45 177.16 1ggw h GLN 10 N -1.17 0.37 -0.68 1.90 4.15 -0.80 -2.52 115.11 116.35 1ggw h GLN 10 Ca -0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ggw h GLN 10 Cb 0.67 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1ggw h GLN 10 CO 0.15 0.28 0.42 0.00 -1.93 0.00 0.00 178.83 177.74 1ggw h ALA 11 N 1.08 1.45 -0.36 3.38 0.00 -0.89 -2.30 119.26 121.61 1ggw h ALA 11 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ggw h ALA 11 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ggw h ALA 11 CO -0.02 0.48 0.21 0.35 0.00 0.00 0.00 179.25 180.27 1ggw h PHE 12 N 0.94 0.38 -0.23 0.00 3.04 -0.47 -1.98 116.94 118.62 1ggw h PHE 12 Ca 0.25 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1ggw h PHE 12 Cb -0.05 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1ggw h PHE 12 CO 0.00 0.22 0.02 0.77 -2.02 0.00 0.00 178.31 177.31 1ggw h SER 13 N 0.42 0.31 -0.41 0.41 0.02 -1.10 -2.39 113.55 110.80 1ggw h SER 13 Ca 0.14 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1ggw h SER 13 Cb 0.01 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1ggw h SER 13 CO -0.07 0.35 0.27 -0.07 -1.14 0.00 0.00 176.83 176.17 1ggw h LEU 14 N 0.33 0.47 -3.95 5.07 3.38 -0.83 -2.54 115.31 117.26 1ggw h LEU 14 Ca 0.08 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.44 1ggw h LEU 14 Cb 0.19 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 40.53 1ggw h LEU 14 CO 0.00 0.34 0.65 0.49 0.09 0.00 0.00 178.44 180.01 1ggw n PHE 15 N -4.47 3.03 -2.98 1.13 3.72 -0.90 -4.92 117.46 112.06 1ggw n PHE 15 Ca 0.03 -2.54 -0.44 0.00 -0.05 0.00 0.00 57.45 54.46 1ggw n PHE 15 Cb 0.06 -1.17 -0.04 0.00 -0.94 0.00 0.00 39.48 37.38 1ggw n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ggw s ASP 16 N -1.82 6.20 0.03 4.37 1.11 -0.96 -4.75 116.67 120.85 1ggw s ASP 16 Ca 0.60 -1.03 -0.25 0.00 0.18 0.00 0.00 52.55 52.06 1ggw s ASP 16 Cb 0.49 -2.36 -0.18 0.00 1.07 0.00 0.00 42.92 41.94 1ggw s ASP 16 CO 0.03 -1.22 1.50 -0.09 1.18 0.00 0.00 175.17 176.56 1ggw h ARG 17 N 9.32 -0.01 0.10 8.23 1.12 -1.91 -3.31 114.38 127.93 1ggw h ARG 17 Ca -0.28 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.27 1ggw h ARG 17 Cb 1.08 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.02 1ggw h ARG 17 CO 1.11 0.25 -1.68 0.45 -3.11 0.00 0.00 179.97 176.99 1ggw h HIS 18 N -0.26 0.38 -0.60 2.20 3.86 -1.91 -3.49 115.15 115.34 1ggw h HIS 18 Ca -0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1ggw h HIS 18 Cb 0.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1ggw h HIS 18 CO 0.01 1.42 0.00 0.41 0.86 0.00 0.00 177.93 180.63 1ggw n GLY 19 N 1.73 0.98 1.33 2.45 0.00 -1.25 -5.01 105.19 105.42 1ggw n GLY 19 Ca -0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -1.49 1.53 -1.31 2.61 -2.24 -1.26 -4.95 114.28 107.18 1ggw n THR 20 Ca 0.00 -2.73 -0.11 0.00 -2.27 0.00 0.00 64.05 58.94 1ggw n THR 20 Cb 0.30 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1ggw n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 21 N -0.54 1.18 3.23 3.38 0.00 -1.26 -5.00 105.19 106.19 1ggw n GLY 21 Ca 0.18 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.82 1.01 -0.05 1.61 0.52 -1.26 -3.51 118.95 114.44 1ggw s ARG 22 Ca 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 55.73 53.85 1ggw s ARG 22 Cb 0.00 -0.71 0.02 0.00 0.52 0.00 0.00 34.95 34.77 1ggw s ARG 22 CO 0.00 0.11 0.13 0.96 0.02 0.00 0.00 175.30 176.53 1ggw s ILE 23 N -2.72 -0.01 0.68 1.52 -4.36 -0.91 -4.39 121.20 111.00 1ggw s ILE 23 Ca 0.12 0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 60.51 1ggw s ILE 23 Cb -0.01 -0.20 0.07 0.00 1.25 0.00 0.00 42.46 43.57 1ggw s ILE 23 CO 0.02 0.02 0.96 -2.16 0.24 0.00 0.00 174.94 174.01 1ggw s PRO 24 N 0.30 2.13 0.41 0.37 0.04 -1.26 -1.84 135.00 135.16 1ggw s PRO 24 Ca -0.02 -0.54 0.25 0.00 0.04 0.00 0.00 61.00 60.73 1ggw s PRO 24 Cb -0.03 -2.27 1.30 0.00 0.04 0.00 0.00 34.50 33.54 1ggw s PRO 24 CO -0.01 -1.18 1.67 1.57 0.04 0.00 0.00 177.00 179.08 1ggw h LYS 25 N -0.45 0.18 -0.38 4.56 2.10 -1.90 0.12 116.57 120.80 1ggw h LYS 25 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1ggw h LYS 25 Cb 1.30 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1ggw h LYS 25 CO 0.54 0.12 0.25 1.79 -2.00 0.00 0.00 179.45 180.15 1ggw h THR 26 N 0.19 1.10 -0.00 0.07 1.35 -1.94 -2.38 112.91 111.30 1ggw h THR 26 Ca 0.75 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1ggw h THR 26 Cb 2.18 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1ggw h THR 26 CO -0.42 0.10 -0.00 -1.28 -0.25 0.00 0.00 175.52 173.67 1ggw h SER 27 N 0.51 0.00 -0.95 5.36 0.87 -1.08 -3.20 113.55 115.06 1ggw h SER 27 Ca 0.14 -0.54 0.23 0.00 -1.23 0.00 0.00 61.79 60.39 1ggw h SER 27 Cb -0.05 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.84 1ggw h SER 27 CO -0.03 0.54 0.63 0.40 -0.53 0.00 0.00 176.83 177.84 1ggw h ILE 28 N -0.53 0.61 0.00 2.23 1.08 -1.36 0.94 117.51 120.48 1ggw h ILE 28 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1ggw h ILE 28 Cb 0.54 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1ggw h ILE 28 CO 0.00 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.13 1ggw n GLY 29 N -1.53 -2.68 0.30 5.37 0.00 -0.90 -0.84 105.19 104.91 1ggw n GLY 29 Ca 0.21 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.46 1ggw n GLY 29 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ggw h ASP 30 N 0.00 0.00 -0.13 1.61 3.04 -1.59 -2.00 116.42 117.34 1ggw h ASP 30 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1ggw h ASP 30 CO 0.00 0.00 0.05 0.25 -2.04 0.00 0.00 179.24 177.50 1ggw h LEU 31 N 0.00 0.18 -1.70 0.15 5.85 -0.67 -2.53 115.31 116.59 1ggw h LEU 31 Ca 0.03 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ggw h LEU 31 Cb 0.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ggw h LEU 31 CO -0.00 0.29 0.01 -0.07 -0.34 0.00 0.00 178.44 178.33 1ggw h LEU 32 N 0.06 0.17 -1.64 2.25 3.38 -0.24 -2.12 115.31 117.17 1ggw h LEU 32 Ca 0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1ggw h LEU 32 Cb 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1ggw h LEU 32 CO -0.00 0.20 0.41 -0.09 0.09 0.00 0.00 178.44 179.05 1ggw h ARG 33 N 0.19 0.39 -0.90 1.13 2.43 -1.15 -1.33 114.38 115.14 1ggw h ARG 33 Ca 0.05 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1ggw h ARG 33 Cb 0.12 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 1ggw h ARG 33 CO 0.00 0.26 0.58 0.00 -1.51 0.00 0.00 179.97 179.30 1ggw h ALA 34 N 1.69 1.68 -0.76 2.80 0.00 -1.35 -2.65 119.26 120.67 1ggw h ALA 34 Ca 0.29 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.48 1ggw h ALA 34 Cb 0.58 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.02 1ggw h ALA 34 CO -0.08 0.12 1.79 0.00 0.00 0.00 0.00 179.25 181.08 1ggw n GLY 36 N 1.15 0.57 3.40 0.00 0.00 -1.00 -4.95 105.19 104.36 1ggw n GLY 36 Ca 0.57 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.61 0.11 1.61 -0.21 -1.23 -4.84 119.66 116.71 1ggw s GLN 37 Ca 0.00 -1.91 0.04 0.00 0.02 0.00 0.00 55.36 53.51 1ggw s GLN 37 Cb 0.00 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.50 1ggw s GLN 37 CO 0.00 -0.33 -0.11 0.54 -2.12 0.00 0.00 175.29 173.27 1ggw s ASN 38 N -3.43 1.61 0.14 5.90 4.22 -1.26 -3.42 114.94 118.71 1ggw s ASN 38 Ca 0.34 -0.84 0.00 0.00 -2.14 0.00 0.00 52.86 50.22 1ggw s ASN 38 Cb 0.07 -0.01 0.00 0.00 1.28 0.00 0.00 41.25 42.58 1ggw s ASN 38 CO 0.15 -0.25 0.00 -0.81 -2.04 0.00 0.00 177.10 174.15 1ggw n PRO 39 N 0.45 1.26 -3.41 3.55 -0.04 -1.26 -4.95 135.00 130.60 1ggw n PRO 39 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 1ggw n PRO 39 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.31 3.45 0.41 0.52 -4.23 -1.26 -4.95 115.64 109.88 1ggw s THR 40 Ca 0.00 -1.12 0.14 0.00 -1.18 0.00 0.00 61.69 59.54 1ggw s THR 40 Cb 0.00 -3.19 0.35 0.00 1.34 0.00 0.00 72.50 71.01 1ggw s THR 40 CO 0.00 -0.09 1.89 -0.07 -0.54 0.00 0.00 174.62 175.81 1ggw h LEU 41 N 0.90 0.47 -1.02 4.79 -0.00 -1.99 0.11 115.31 118.56 1ggw h LEU 41 Ca -0.43 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.45 1ggw h LEU 41 Cb 1.26 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1ggw h LEU 41 CO 0.52 0.22 0.32 0.00 -0.00 0.00 0.00 178.44 179.50 1ggw h ALA 42 N 1.62 1.23 0.15 1.53 0.00 -1.99 -1.82 119.26 119.99 1ggw h ALA 42 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ggw h ALA 42 Cb 0.91 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ggw h ALA 42 CO -0.16 0.58 -0.07 1.49 0.00 0.00 0.00 179.25 181.09 1ggw h GLU 43 N 1.00 -0.19 -0.49 0.00 4.22 -1.18 -1.24 114.58 116.70 1ggw h GLU 43 Ca 0.24 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.76 1ggw h GLU 43 Cb 0.14 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1ggw h GLU 43 CO -0.03 0.13 0.15 -0.84 -2.18 0.00 0.00 179.01 176.25 1ggw h ILE 44 N -0.54 0.81 -0.72 2.32 -2.65 -1.34 -0.98 117.51 114.40 1ggw h ILE 44 Ca -0.02 -0.11 0.03 0.00 1.03 0.00 0.00 64.86 65.80 1ggw h ILE 44 Cb 0.42 0.46 -0.05 0.00 -2.05 0.00 0.00 36.82 35.60 1ggw h ILE 44 CO 0.03 0.06 0.45 0.74 0.03 0.00 0.00 178.15 179.46 1ggw h THR 45 N 0.32 1.09 -0.93 0.16 2.02 -1.33 -1.64 112.91 112.60 1ggw h THR 45 Ca 0.24 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ggw h THR 45 Cb 0.27 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.74 1ggw h THR 45 CO -0.26 0.16 0.58 -0.33 0.37 0.00 0.00 175.52 176.04 1ggw h GLU 46 N 0.87 0.99 -0.14 6.66 5.08 0.03 -1.52 114.58 126.56 1ggw h GLU 46 Ca 0.29 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1ggw h GLU 46 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1ggw h GLU 46 CO -0.12 0.66 0.05 0.82 -1.00 0.00 0.00 179.01 179.42 1ggw h ILE 47 N 1.02 1.17 -0.10 3.13 2.04 -0.45 -2.31 117.51 122.01 1ggw h ILE 47 Ca 0.42 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1ggw h ILE 47 Cb 0.25 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ggw h ILE 47 CO -0.20 0.15 0.16 -0.33 0.00 0.00 0.00 178.15 177.93 1ggw h GLU 48 N 0.06 0.00 0.00 2.37 5.08 -0.52 -1.08 114.58 120.49 1ggw h GLU 48 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ggw h GLU 48 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ggw h GLU 48 CO -0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1ggw n SER 49 N -3.52 0.27 -0.01 1.42 7.64 -0.65 -3.26 113.62 115.51 1ggw n SER 49 Ca -0.00 0.60 -0.02 0.00 1.01 0.00 0.00 58.87 60.46 1ggw n SER 49 Cb 0.26 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ggw n THR 50 N -1.83 0.15 -3.43 0.44 -2.24 -0.44 -5.04 114.28 101.89 1ggw n THR 50 Ca 0.01 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1ggw n THR 50 Cb 0.08 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -5.26 4.23 0.18 3.22 1.43 -1.04 -5.01 118.68 116.42 1ggw s LEU 51 Ca -0.03 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 1ggw s LEU 51 Cb 0.01 -3.51 -0.14 0.00 0.03 0.00 0.00 46.19 42.58 1ggw s LEU 51 CO 0.06 -0.00 0.41 -2.65 0.23 0.00 0.00 176.35 174.39 1ggw n PRO 52 N 0.19 0.00 -0.18 1.29 -0.02 -1.26 -4.61 135.00 130.41 1ggw n PRO 52 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.42 1ggw n PRO 52 Cb 0.52 -0.83 -0.03 0.00 -0.02 0.00 0.00 33.50 33.14 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -0.05 -0.23 -2.65 3.55 0.00 -1.26 -3.80 120.51 116.07 1ggw n ALA 53 Ca 0.15 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.58 1ggw n ALA 53 Cb 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -5.27 4.18 -1.00 0.00 2.02 -1.26 -4.90 118.70 112.46 1ggw s GLU 54 Ca -0.06 0.59 -0.19 0.00 0.02 0.00 0.00 54.97 55.33 1ggw s GLU 54 Cb 0.06 -3.60 0.11 0.00 0.10 0.00 0.00 34.13 30.80 1ggw s GLU 54 CO 0.29 -0.29 1.28 0.08 0.02 0.00 0.00 175.26 176.63 1ggw s VAL 55 N 2.10 4.50 0.91 2.63 1.01 -0.77 -4.81 120.40 125.97 1ggw s VAL 55 Ca 0.28 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 1ggw s VAL 55 Cb -0.16 -4.89 0.18 0.00 0.00 0.00 0.00 36.38 31.51 1ggw s VAL 55 CO 0.10 -1.67 1.25 1.51 0.00 0.00 0.00 175.10 176.29 1ggw s ASP 56 N 3.96 3.42 0.33 3.32 1.47 -1.26 -2.15 116.67 125.75 1ggw s ASP 56 Ca 0.39 0.14 0.09 0.00 1.18 0.00 0.00 52.55 54.34 1ggw s ASP 56 Cb -0.03 -0.27 0.96 0.00 -0.34 0.00 0.00 42.92 43.24 1ggw s ASP 56 CO -0.08 -2.53 1.59 0.24 0.68 0.00 0.00 175.17 175.08 1ggw h MET 57 N -1.39 0.06 0.06 2.11 2.86 -1.95 0.47 114.93 117.16 1ggw h MET 57 Ca -0.43 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1ggw h MET 57 Cb 1.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1ggw h MET 57 CO 0.39 0.04 -0.03 0.93 1.06 0.00 0.00 176.91 179.30 1ggw h GLU 58 N 0.06 -0.08 -0.12 1.72 5.08 -1.91 -1.25 114.58 118.07 1ggw h GLU 58 Ca 0.68 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.08 1ggw h GLU 58 Cb 1.56 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1ggw h GLU 58 CO -0.81 0.38 -0.08 1.96 -1.00 0.00 0.00 179.01 179.46 1ggw h GLN 59 N -0.57 -0.08 -0.21 2.33 7.50 -1.43 0.23 115.11 122.89 1ggw h GLN 59 Ca -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.50 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1ggw h GLN 59 CO 0.01 -0.05 0.10 0.35 -1.50 0.00 0.00 178.83 177.74 1ggw h PHE 60 N -0.08 0.30 -0.08 2.96 3.57 -1.07 -2.61 116.94 119.92 1ggw h PHE 60 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.19 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1ggw h PHE 60 CO -0.21 0.30 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.05 1ggw h LEU 61 N 0.21 0.11 0.38 0.59 3.38 -0.93 -1.29 115.31 117.75 1ggw h LEU 61 Ca 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ggw h LEU 61 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ggw h LEU 61 CO -0.01 0.18 -0.18 1.56 0.09 0.00 0.00 178.44 180.08 1ggw h GLN 62 N 0.12 -0.49 -0.67 1.13 4.20 -0.18 0.27 115.11 119.48 1ggw h GLN 62 Ca 0.03 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1ggw h GLN 62 Cb 0.18 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1ggw h GLN 62 CO 0.01 -0.23 0.19 -0.39 -0.67 0.00 0.00 178.83 177.74 1ggw h VAL 63 N -0.70 1.26 0.50 -0.54 -1.51 -1.35 -2.99 116.25 110.93 1ggw h VAL 63 Ca -0.05 -0.90 -0.02 0.00 -1.23 0.00 0.00 66.70 64.49 1ggw h VAL 63 Cb 0.49 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1ggw h VAL 63 CO 0.09 0.35 -0.24 0.25 -1.23 0.00 0.00 177.57 176.78 1ggw h LEU 64 N 0.99 -0.57 -5.79 4.19 5.85 -1.20 -3.29 115.31 115.49 1ggw h LEU 64 Ca 0.22 0.02 -0.73 0.00 0.84 0.00 0.00 57.88 58.22 1ggw h LEU 64 Cb 0.32 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 1ggw h LEU 64 CO -0.00 -0.35 2.55 0.59 -0.34 0.00 0.00 178.44 180.89 1ggw n ASN 65 N -4.17 7.12 0.09 1.25 3.02 0.94 -4.67 115.26 118.83 1ggw n ASN 65 Ca -0.08 -3.04 -0.12 0.00 -0.03 0.00 0.00 54.58 51.31 1ggw n ASN 65 Cb 0.27 -1.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.95 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ggw h ARG 66 N 5.04 -0.41 -0.84 3.52 9.65 -1.59 -2.18 114.38 127.57 1ggw h ARG 66 Ca 0.64 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.54 1ggw h ARG 66 Cb 0.41 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1ggw h ARG 66 CO 1.59 -0.28 0.00 -0.35 2.80 0.00 0.00 179.97 183.73 1ggw n PRO 67 N -5.37 1.90 -3.14 0.20 -0.04 -1.26 -4.93 135.00 122.36 1ggw n PRO 67 Ca -0.06 -0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 1ggw n PRO 67 Cb 0.28 -1.64 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1ggw n PRO 67 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggw n ASN 68 N 0.14 -7.11 0.00 3.54 4.13 -0.82 -4.98 115.26 110.16 1ggw n ASN 68 Ca 0.07 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1ggw n ASN 68 Cb 0.45 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggw n GLY 69 N -0.87 -1.72 3.41 7.41 0.00 -1.26 -5.12 105.19 107.04 1ggw n GLY 69 Ca -0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1ggw n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggw s PHE 70 N -2.74 2.14 -1.01 1.61 0.08 -1.26 -4.66 117.98 112.15 1ggw s PHE 70 Ca 0.00 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 1ggw s PHE 70 Cb 0.00 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1ggw s PHE 70 CO 0.00 0.51 0.85 -0.25 -0.10 0.00 0.00 175.22 176.23 1ggw n ASP 71 N -0.01 -6.55 0.00 1.36 9.92 -1.26 -4.78 116.55 115.22 1ggw n ASP 71 Ca -0.10 -0.67 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 1ggw n ASP 71 Cb 0.58 -4.76 0.00 0.00 -0.64 0.00 0.00 41.12 36.29 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1ggw n MET 72 N -3.15 0.00 -0.31 -1.24 0.00 -1.26 -5.01 117.12 106.15 1ggw n MET 72 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.71 1ggw n MET 72 Cb 0.59 0.00 0.19 0.00 0.00 0.00 0.00 33.22 34.01 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ggw h PRO 73 N 0.00 0.03 -0.06 2.12 0.11 -1.85 -3.40 132.00 128.95 1ggw h PRO 73 Ca 0.00 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1ggw h PRO 73 Cb 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 30.95 1ggw h PRO 73 CO 0.00 0.02 -0.07 0.20 -0.21 0.00 0.00 178.00 177.94 1ggw s GLY 74 N -4.07 -2.03 -0.29 -0.55 0.00 -1.26 -4.88 107.32 94.23 1ggw s GLY 74 Ca -0.14 0.77 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 1ggw s GLY 74 CO 0.77 4.42 1.02 0.99 0.00 0.00 0.00 173.10 180.30 1ggw s ASP 75 N 1.01 6.94 0.07 1.64 1.01 -1.26 -4.96 116.67 121.12 1ggw s ASP 75 Ca 0.22 1.09 -0.25 0.00 0.71 0.00 0.00 52.55 54.33 1ggw s ASP 75 Cb 0.15 -2.52 -0.16 0.00 1.01 0.00 0.00 42.92 41.39 1ggw s ASP 75 CO -0.12 -0.78 1.63 -0.65 0.21 0.00 0.00 175.17 175.46 1ggw h PRO 76 N 7.91 -0.14 0.00 8.23 0.11 -2.00 -2.13 132.00 143.98 1ggw h PRO 76 Ca -0.21 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 1ggw h PRO 76 Cb 1.07 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ggw h PRO 76 CO 1.00 -0.01 -0.16 1.05 -0.21 0.00 0.00 178.00 179.67 1ggw h GLU 77 N -0.23 0.00 0.10 1.05 -0.00 -1.99 -2.37 114.58 111.14 1ggw h GLU 77 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ggw h GLU 77 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.94 1ggw h GLU 77 CO 0.02 0.16 -0.05 1.49 -0.00 0.00 0.00 179.01 180.64 1ggw h GLU 78 N 0.00 -0.12 -0.76 1.06 4.81 -1.91 -2.11 114.58 115.55 1ggw h GLU 78 Ca -0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1ggw h GLU 78 Cb 0.50 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1ggw h GLU 78 CO 0.02 0.37 0.26 0.27 -0.73 0.00 0.00 179.01 179.20 1ggw h PHE 79 N -0.72 1.20 0.00 0.92 -5.15 -1.35 -2.00 116.94 109.83 1ggw h PHE 79 Ca -0.01 -0.11 -0.00 0.00 -0.20 0.00 0.00 57.97 57.65 1ggw h PHE 79 Cb 0.55 -0.35 0.00 0.00 0.22 0.00 0.00 35.95 36.37 1ggw h PHE 79 CO 0.10 0.93 -0.00 0.28 -2.00 0.00 0.00 178.31 177.62 1ggw h VAL 80 N 1.12 1.07 -0.29 0.88 2.07 -1.50 -2.70 116.25 116.91 1ggw h VAL 80 Ca 0.25 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ggw h VAL 80 Cb 0.28 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ggw h VAL 80 CO -0.01 0.06 0.18 0.50 0.02 0.00 0.00 177.57 178.32 1ggw h LYS 81 N -0.10 0.38 0.35 1.57 1.63 -1.24 0.18 116.57 119.34 1ggw h LYS 81 Ca -0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1ggw h LYS 81 Cb 0.09 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1ggw h LYS 81 CO 0.00 0.26 -0.17 0.78 -3.45 0.00 0.00 179.45 176.87 1ggw h GLY 82 N 0.40 -0.49 2.00 5.01 0.00 -1.05 -3.14 103.07 105.81 1ggw h GLY 82 Ca 0.10 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1ggw h GLY 82 CO -0.02 -0.18 -0.21 0.74 0.00 0.00 0.00 176.54 176.87 1ggw h PHE 83 N -0.63 0.00 -0.39 5.60 -1.00 -1.36 -3.40 116.94 115.76 1ggw h PHE 83 Ca -0.05 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 60.08 1ggw h PHE 83 Cb 0.45 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1ggw h PHE 83 CO -0.01 0.21 2.44 0.94 -1.61 0.00 0.00 178.31 180.28 1ggw n GLN 84 N -3.19 2.68 0.00 1.51 7.27 0.63 -4.00 117.38 122.28 1ggw n GLN 84 Ca 0.02 -2.76 0.00 0.00 0.07 0.00 0.00 57.00 54.34 1ggw n GLN 84 Cb 0.57 -3.38 0.00 0.00 2.41 0.00 0.00 30.24 29.85 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1ggw n VAL 85 N 6.02 0.00 -2.70 1.69 3.14 -1.26 -4.86 118.33 120.36 1ggw n VAL 85 Ca 0.50 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.84 1ggw n VAL 85 Cb 0.43 -0.43 0.11 0.00 -1.06 0.00 0.00 33.84 32.89 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1ggw n PHE 86 N -2.44 -1.58 -3.12 1.45 3.72 -1.26 -4.99 117.46 109.24 1ggw n PHE 86 Ca 0.00 -1.90 -0.20 0.00 -0.05 0.00 0.00 57.45 55.30 1ggw n PHE 86 Cb 0.00 1.24 -0.03 0.00 -0.94 0.00 0.00 39.48 39.75 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ggw n ASP 87 N -1.08 1.76 0.05 4.37 9.92 -1.26 -4.93 116.55 125.38 1ggw n ASP 87 Ca -0.09 -3.18 -0.12 0.00 -0.53 0.00 0.00 54.79 50.87 1ggw n ASP 87 Cb 0.86 -0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 40.66 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ggw h LYS 88 N 2.99 -0.03 0.00 -1.24 1.63 -1.94 -3.36 116.57 114.63 1ggw h LYS 88 Ca 0.11 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 59.47 1ggw h LYS 88 Cb 0.85 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.42 1ggw h LYS 88 CO 0.58 0.01 -2.52 -3.47 -3.45 0.00 0.00 179.45 170.59 1ggw n ASP 89 N -5.09 1.97 -3.57 4.20 -0.08 -1.26 -5.01 116.55 107.70 1ggw n ASP 89 Ca -0.07 0.15 -0.26 0.00 -1.51 0.00 0.00 54.79 53.10 1ggw n ASP 89 Cb 0.05 -0.66 0.05 0.00 2.34 0.00 0.00 41.12 42.90 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -3.86 -1.22 -3.87 -1.67 0.00 -1.26 -4.95 120.51 103.68 1ggw n ALA 90 Ca -0.51 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.93 1ggw n ALA 90 Cb 0.93 -4.74 -0.12 0.00 0.00 0.00 0.00 19.45 15.52 1ggw n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ggw s THR 91 N -3.26 3.06 0.00 0.00 -4.23 -1.26 -4.62 115.64 105.33 1ggw s THR 91 Ca 0.55 -3.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.06 1ggw s THR 91 Cb -0.26 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1ggw s THR 91 CO 0.68 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1ggw n GLY 92 N 2.29 1.51 3.64 3.99 0.00 -1.26 -5.10 105.19 110.26 1ggw n GLY 92 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.60 -0.19 1.61 -2.45 -1.26 -3.91 119.30 113.69 1ggw s MET 93 Ca 0.00 0.95 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 1ggw s MET 93 Cb 0.00 0.17 -0.12 0.00 1.25 0.00 0.00 34.83 36.13 1ggw s MET 93 CO 0.00 -0.11 -0.18 1.51 1.05 0.00 0.00 175.02 177.29 1ggw n ILE 94 N 3.69 1.09 -2.34 10.11 0.00 -1.26 -4.57 119.36 126.08 1ggw n ILE 94 Ca -0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 62.75 62.12 1ggw n ILE 94 Cb 0.58 -1.24 0.01 0.00 0.00 0.00 0.00 39.64 38.98 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 2.50 -1.19 0.37 4.50 0.00 -0.91 -4.70 105.19 105.77 1ggw n GLY 95 Ca -0.34 0.73 0.26 0.00 0.00 0.00 0.00 46.02 46.67 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 1.27 0.31 -1.06 1.61 2.07 -0.91 0.20 116.25 119.75 1ggw h VAL 96 Ca 0.00 -0.10 0.28 0.00 0.82 0.00 0.00 66.70 67.69 1ggw h VAL 96 Cb 0.60 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1ggw h VAL 96 CO 0.12 0.06 0.68 1.23 0.02 0.00 0.00 177.57 179.68 1ggw h GLY 97 N 0.30 1.22 0.34 2.17 0.00 -1.84 0.42 103.07 105.67 1ggw h GLY 97 Ca 0.72 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.80 1ggw h GLY 97 CO -0.51 -0.15 -0.23 0.83 0.00 0.00 0.00 176.54 176.47 1ggw h GLU 98 N 0.37 0.12 -0.95 4.80 4.39 -0.89 -0.94 114.58 121.49 1ggw h GLU 98 Ca 0.61 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 60.19 1ggw h GLU 98 Cb 1.57 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.22 1ggw h GLU 98 CO -0.30 0.97 0.63 1.37 -1.16 0.00 0.00 179.01 180.51 1ggw h LEU 99 N -0.65 1.04 -0.03 1.33 8.10 -1.13 -2.40 115.31 121.57 1ggw h LEU 99 Ca -0.03 -0.01 -0.26 0.00 0.11 0.00 0.00 57.88 57.69 1ggw h LEU 99 Cb 1.06 -0.24 0.02 0.00 -0.44 0.00 0.00 40.66 41.06 1ggw h LEU 99 CO 0.04 0.71 -1.01 -0.09 -4.11 0.00 0.00 178.44 173.98 1ggw h ARG 100 N 1.20 0.68 -0.95 0.17 2.43 -0.31 -2.72 114.38 114.88 1ggw h ARG 100 Ca 0.38 -0.72 0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1ggw h ARG 100 Cb 0.01 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.67 1ggw h ARG 100 CO -0.12 1.30 0.58 -0.92 -1.51 0.00 0.00 179.97 179.30 1ggw h TYR 101 N 0.39 1.03 0.03 2.20 3.20 -0.69 0.25 116.97 123.39 1ggw h TYR 101 Ca -0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1ggw h TYR 101 Cb 1.66 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1ggw h TYR 101 CO 0.10 0.37 -0.01 0.28 -1.64 0.00 0.00 178.16 177.25 1ggw h VAL 102 N 0.88 1.23 -0.44 1.81 2.07 -1.51 -2.84 116.25 117.45 1ggw h VAL 102 Ca 0.49 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 66.29 1ggw h VAL 102 Cb 0.55 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 1ggw h VAL 102 CO -0.29 0.39 0.18 -0.07 0.02 0.00 0.00 177.57 177.80 1ggw h LEU 103 N -0.94 0.22 -0.92 2.57 3.38 -1.31 -2.18 115.31 116.13 1ggw h LEU 103 Ca -0.00 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ggw h LEU 103 Cb 0.67 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ggw h LEU 103 CO 0.01 0.16 -0.17 0.74 0.09 0.00 0.00 178.44 179.27 1ggw h THR 104 N 0.37 1.25 0.00 0.22 2.02 -0.65 -2.57 112.91 113.54 1ggw h THR 104 Ca 0.20 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1ggw h THR 104 Cb 0.17 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1ggw h THR 104 CO -0.19 0.38 -0.06 -1.28 0.37 0.00 0.00 175.52 174.74 1ggw h SER 105 N 0.54 0.00 0.13 4.18 0.87 -1.15 -0.93 113.55 117.20 1ggw h SER 105 Ca 0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1ggw h SER 105 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ggw h SER 105 CO 0.04 0.06 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.27 1ggw h LEU 106 N 0.00 -0.15 -5.06 2.23 3.38 -1.00 -3.44 115.31 111.26 1ggw h LEU 106 Ca -0.00 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1ggw h LEU 106 Cb 0.35 0.04 -0.22 0.00 0.09 0.00 0.00 40.66 40.92 1ggw h LEU 106 CO 0.01 -0.06 -0.54 0.61 0.09 0.00 0.00 178.44 178.55 1ggw n GLY 107 N 0.09 1.70 3.26 0.83 0.00 -1.23 -5.00 105.19 104.84 1ggw n GLY 107 Ca -0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.90 -6.00 0.00 1.61 4.71 -0.35 -5.03 120.64 114.67 1ggw n GLU 108 Ca -0.06 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 1ggw n GLU 108 Cb 0.85 -5.63 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ggw n LYS 109 N -3.88 2.60 -1.89 3.49 3.00 -1.21 -4.61 118.16 115.67 1ggw n LYS 109 Ca -0.26 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.79 1ggw n LYS 109 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.61 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ggw n LEU 110 N 0.00 2.66 0.00 3.14 4.77 -1.26 -4.81 117.00 121.49 1ggw n LEU 110 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1ggw n LEU 110 Cb 0.00 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.39 1ggw n LEU 110 CO 0.00 -2.23 0.00 -1.54 -1.33 0.00 0.00 177.39 172.29 1ggw n SER 111 N 15.45 -1.56 -0.26 -1.43 3.41 -1.26 -4.62 113.62 123.35 1ggw n SER 111 Ca 0.44 -0.18 0.24 0.00 -0.26 0.00 0.00 58.87 59.11 1ggw n SER 111 Cb 0.46 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.00 1ggw n SER 111 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ggw h ASN 112 N -1.56 0.28 -0.04 4.04 4.21 -1.95 -1.91 115.58 118.67 1ggw h ASN 112 Ca 0.00 0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.58 1ggw h ASN 112 Cb 0.00 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 1ggw h ASN 112 CO 0.00 0.08 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.02 1ggw h GLU 113 N 0.27 -0.19 0.40 0.81 4.81 -1.97 0.69 114.58 119.41 1ggw h GLU 113 Ca 0.51 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1ggw h GLU 113 Cb 1.52 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.92 1ggw h GLU 113 CO -0.16 -0.12 -0.36 1.49 -0.73 0.00 0.00 179.01 179.13 1ggw h GLU 114 N -0.19 -0.74 0.00 1.92 4.22 -1.62 -2.15 114.58 116.02 1ggw h GLU 114 Ca 0.06 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 1ggw h GLU 114 Cb 0.27 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ggw h GLU 114 CO -0.15 -0.50 -0.13 0.00 -2.18 0.00 0.00 179.01 176.06 1ggw h MET 115 N -0.77 0.00 -0.22 1.92 -0.00 -1.47 -2.76 114.93 111.64 1ggw h MET 115 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1ggw h MET 115 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.26 1ggw h MET 115 CO -0.04 0.13 0.10 -0.44 -0.00 0.00 0.00 176.91 176.66 1ggw h ASP 116 N 0.00 0.15 -0.32 -0.10 3.32 0.11 0.32 116.42 119.89 1ggw h ASP 116 Ca -0.00 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1ggw h ASP 116 Cb 0.37 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1ggw h ASP 116 CO 0.02 0.12 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.20 1ggw h GLU 117 N 0.22 0.66 -0.75 3.56 5.08 -1.26 -1.71 114.58 120.38 1ggw h GLU 117 Ca 0.09 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ggw h GLU 117 Cb 0.03 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1ggw h GLU 117 CO -0.07 0.86 0.46 1.37 -1.00 0.00 0.00 179.01 180.63 1ggw h LEU 118 N 0.43 0.90 -1.01 1.33 8.10 -1.24 -2.16 115.31 121.66 1ggw h LEU 118 Ca 0.08 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.90 1ggw h LEU 118 Cb 0.64 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 1ggw h LEU 118 CO 0.04 0.69 -0.49 -0.07 -4.11 0.00 0.00 178.44 174.50 1ggw h LEU 119 N 1.03 0.02 -0.74 0.17 3.38 -0.32 -2.32 115.31 116.54 1ggw h LEU 119 Ca 0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1ggw h LEU 119 Cb -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1ggw h LEU 119 CO -0.05 0.51 0.25 0.50 0.09 0.00 0.00 178.44 179.73 1ggw h LYS 120 N 0.02 1.14 -0.02 1.13 3.64 -0.67 -3.20 116.57 118.60 1ggw h LYS 120 Ca -0.00 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1ggw h LYS 120 Cb 0.87 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ggw h LYS 120 CO 0.06 0.96 -0.23 0.78 -2.27 0.00 0.00 179.45 178.76 1ggw h GLY 121 N 1.09 0.21 -4.84 5.01 0.00 -1.32 -3.44 103.07 99.77 1ggw h GLY 121 Ca 0.24 -0.33 -0.56 0.00 0.00 0.00 0.00 47.33 46.68 1ggw h GLY 121 CO -0.01 0.29 0.48 0.14 0.00 0.00 0.00 176.54 177.44 1ggw s VAL 122 N -3.38 4.83 -1.48 4.60 1.01 -0.89 -4.95 120.40 120.14 1ggw s VAL 122 Ca -0.16 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 1ggw s VAL 122 Cb 0.02 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1ggw s VAL 122 CO 0.74 0.04 2.72 -0.81 0.00 0.00 0.00 175.10 177.79 1ggw n PRO 123 N 4.86 3.30 -3.87 2.72 -0.04 -1.26 -4.75 135.00 135.97 1ggw n PRO 123 Ca 0.07 -2.14 -0.19 0.00 -0.04 0.00 0.00 63.50 61.20 1ggw n PRO 123 Cb 0.49 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1ggw n PRO 123 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ggw n VAL 124 N 3.94 0.00 -5.14 0.52 0.24 -1.26 -5.13 118.33 111.49 1ggw n VAL 124 Ca 0.70 -1.87 -0.32 0.00 -2.04 0.00 0.00 64.34 60.80 1ggw n VAL 124 Cb 0.24 0.70 -0.17 0.00 -1.47 0.00 0.00 33.84 33.15 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ggw s LYS 125 N -3.20 3.10 0.00 7.34 3.01 -1.26 -4.76 119.74 123.97 1ggw s LYS 125 Ca 0.18 -0.85 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1ggw s LYS 125 Cb 0.01 -2.36 0.00 0.00 -1.01 0.00 0.00 37.83 34.47 1ggw s LYS 125 CO 0.13 0.18 0.00 -0.25 0.51 0.00 0.00 175.35 175.92 1ggw n ASP 126 N 3.53 0.00 0.00 2.83 8.00 -1.26 -3.77 116.55 125.88 1ggw n ASP 126 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1ggw n ASP 126 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggw n GLY 127 N 0.00 0.15 3.45 0.44 0.00 -1.26 -3.35 105.19 104.61 1ggw n GLY 127 Ca 0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.44 0.00 1.61 0.00 -1.25 -0.48 119.30 122.62 1ggw s MET 128 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 55.69 55.05 1ggw s MET 128 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 34.83 31.29 1ggw s MET 128 CO 0.00 -0.36 0.95 0.28 0.00 0.00 0.00 175.02 175.89 1ggw n VAL 129 N 4.98 0.00 -2.06 10.11 0.31 -1.26 -4.83 118.33 125.57 1ggw n VAL 129 Ca -0.14 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 1ggw n VAL 129 Cb 0.50 0.45 -0.04 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 -5.76 -4.31 4.52 2.85 -1.25 -2.53 115.26 108.78 1ggw n ASN 130 Ca 0.00 0.21 -0.37 0.00 -0.11 0.00 0.00 54.58 54.31 1ggw n ASN 130 Cb 0.68 -4.91 -0.05 0.00 1.24 0.00 0.00 39.78 36.74 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ggw n TYR 131 N -3.32 -1.52 -0.02 1.20 9.36 -1.26 -4.65 117.16 116.94 1ggw n TYR 131 Ca -0.23 0.75 -0.06 0.00 3.32 0.00 0.00 57.90 61.67 1ggw n TYR 131 Cb 0.69 -2.67 -0.02 0.00 -0.63 0.00 0.00 39.34 36.71 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ggw n HIS 132 N -4.30 0.00 -0.22 2.98 8.25 -1.05 -4.45 115.22 116.43 1ggw n HIS 132 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 1ggw n HIS 132 Cb 0.51 -0.23 0.34 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.27 0.70 0.45 0.41 3.58 -1.88 0.47 116.42 119.88 1ggw h ASP 133 Ca -0.13 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1ggw h ASP 133 Cb 0.90 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1ggw h ASP 133 CO -0.08 0.43 -0.22 -0.26 -2.88 0.00 0.00 179.24 176.23 1ggw h PHE 134 N 0.78 -0.56 -0.43 0.28 0.04 -1.90 -2.33 116.94 112.83 1ggw h PHE 134 Ca 0.35 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 1ggw h PHE 134 Cb 0.34 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1ggw h PHE 134 CO -0.00 -0.24 0.11 0.28 -0.60 0.00 0.00 178.31 177.86 1ggw h VAL 135 N -1.00 1.19 0.59 -0.55 2.07 -1.73 -1.33 116.25 115.48 1ggw h VAL 135 Ca -0.06 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1ggw h VAL 135 Cb 0.57 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ggw h VAL 135 CO 0.10 0.24 -0.28 -0.61 0.02 0.00 0.00 177.57 177.04 1ggw h GLN 136 N 0.62 -0.77 0.00 1.57 4.15 -0.07 -1.44 115.11 119.17 1ggw h GLN 136 Ca 0.14 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1ggw h GLN 136 Cb 0.22 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1ggw h GLN 136 CO -0.00 -0.50 -0.19 1.98 -1.93 0.00 0.00 178.83 178.19 1ggw h MET 137 N -0.83 0.00 -0.48 1.69 4.05 -1.34 -2.07 114.93 115.94 1ggw h MET 137 Ca -0.08 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1ggw h MET 137 Cb 0.62 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1ggw h MET 137 CO 0.13 0.19 0.10 0.82 0.23 0.00 0.00 176.91 178.38 1ggw h ILE 138 N 0.00 1.24 -0.84 1.77 2.04 -0.93 -3.03 117.51 117.77 1ggw h ILE 138 Ca -0.00 -0.88 -0.48 0.00 1.00 0.00 0.00 64.86 64.49 1ggw h ILE 138 Cb 0.35 0.89 -0.27 0.00 -0.74 0.00 0.00 36.82 37.05 1ggw h ILE 138 CO 0.03 0.31 0.45 0.18 0.00 0.00 0.00 178.15 179.12 1ggw n LEU 139 N -4.45 6.27 -3.15 1.44 4.32 -0.57 -4.85 117.00 116.01 1ggw n LEU 139 Ca 0.01 -3.89 0.05 0.00 -0.02 0.00 0.00 56.01 52.16 1ggw n LEU 139 Cb 0.24 -0.80 -0.02 0.00 -1.62 0.00 0.00 43.42 41.22 1ggw n LEU 139 CO 0.40 1.27 0.56 0.00 -1.22 0.00 0.00 177.39 178.40 1ggw s ALA 140 N -3.44 -3.36 0.00 -1.18 0.00 -0.81 -5.01 121.76 107.97 1ggw s ALA 140 Ca 0.56 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1ggw s ALA 140 Cb 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1ggw s ALA 140 CO 0.05 -1.44 0.48 0.09 0.00 0.00 0.00 175.76 174.93