#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 2.18 -2.73 6.66 -1.04 -1.26 -4.71 114.28 113.38 1ggw n THR 3 Ca 0.00 -3.52 -0.04 0.00 -2.04 0.00 0.00 64.05 58.46 1ggw n THR 3 Cb 0.00 -0.48 0.07 0.00 -1.82 0.00 0.00 70.33 68.11 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ggw n ASP 4 N -0.84 0.29 -4.06 8.00 5.75 -1.26 -5.07 116.55 119.37 1ggw n ASP 4 Ca 0.28 -2.31 -0.32 0.00 -0.01 0.00 0.00 54.79 52.43 1ggw n ASP 4 Cb 0.84 0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.79 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ggw s ASP 5 N -2.61 4.52 0.07 -1.12 1.11 -1.26 -5.01 116.67 112.37 1ggw s ASP 5 Ca 0.22 -1.55 -0.21 0.00 0.18 0.00 0.00 52.55 51.19 1ggw s ASP 5 Cb 0.40 -1.57 -0.12 0.00 1.07 0.00 0.00 42.92 42.70 1ggw s ASP 5 CO -0.05 -0.23 1.58 -1.28 1.18 0.00 0.00 175.17 176.37 1ggw h SER 6 N 7.74 0.19 1.35 0.27 0.87 -1.97 0.39 113.55 122.38 1ggw h SER 6 Ca -0.16 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ggw h SER 6 Cb 1.04 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1ggw h SER 6 CO 0.47 0.34 0.00 -0.81 -0.53 0.00 0.00 176.83 176.30 1ggw n PRO 7 N -4.87 0.23 -0.01 2.24 -0.04 -1.26 -0.36 135.00 130.93 1ggw n PRO 7 Ca -0.05 0.22 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1ggw n PRO 7 Cb 0.14 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 31.80 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -2.20 0.00 0.15 0.54 4.01 -1.18 -4.45 117.16 114.04 1ggw n TYR 8 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.40 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.38 -0.45 -0.34 -0.72 3.11 -0.62 -1.68 116.57 115.49 1ggw h LYS 9 Ca 0.00 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1ggw h LYS 9 Cb 0.38 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 1ggw h LYS 9 CO 0.00 -0.30 0.19 0.37 -2.81 0.00 0.00 179.45 176.90 1ggw h GLN 10 N -1.11 0.37 -0.61 1.90 4.15 -0.65 -2.09 115.11 117.07 1ggw h GLN 10 Ca -0.05 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1ggw h GLN 10 Cb 0.36 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1ggw h GLN 10 CO 0.08 0.25 0.37 0.00 -1.93 0.00 0.00 178.83 177.60 1ggw h ALA 11 N 1.16 1.50 -0.14 3.38 0.00 -0.84 -2.62 119.26 121.70 1ggw h ALA 11 Ca 0.13 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ggw h ALA 11 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ggw h ALA 11 CO -0.07 0.44 0.03 0.35 0.00 0.00 0.00 179.25 179.99 1ggw h PHE 12 N 0.84 0.05 -0.38 0.00 3.04 -0.62 -2.42 116.94 117.45 1ggw h PHE 12 Ca 0.22 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1ggw h PHE 12 Cb -0.04 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 1ggw h PHE 12 CO 0.00 0.02 0.14 0.66 -2.02 0.00 0.00 178.31 177.11 1ggw h SER 13 N 0.09 0.49 -0.83 0.41 4.64 -1.14 -2.49 113.55 114.71 1ggw h SER 13 Ca 0.06 -0.05 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1ggw h SER 13 Cb 0.05 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 1ggw h SER 13 CO -0.08 0.45 0.54 -0.07 -0.87 0.00 0.00 176.83 176.80 1ggw h LEU 14 N 0.54 0.68 -3.68 5.97 3.38 -1.08 -1.41 115.31 119.70 1ggw h LEU 14 Ca 0.13 0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.66 1ggw h LEU 14 Cb 0.12 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1ggw h LEU 14 CO -0.01 0.39 0.60 0.49 0.09 0.00 0.00 178.44 179.99 1ggw n PHE 15 N -4.52 2.53 -2.75 1.13 3.72 -0.94 -4.85 117.46 111.78 1ggw n PHE 15 Ca 0.15 -1.96 -0.43 0.00 -0.05 0.00 0.00 57.45 55.16 1ggw n PHE 15 Cb 0.36 -0.98 -0.01 0.00 -0.94 0.00 0.00 39.48 37.91 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 -0.94 6.79 0.28 4.37 1.01 -0.53 -4.80 116.67 122.85 1ggw s ASP 16 Ca 0.48 -2.30 0.03 0.00 0.71 0.00 0.00 52.55 51.47 1ggw s ASP 16 Cb 0.40 -2.49 0.42 0.00 1.01 0.00 0.00 42.92 42.26 1ggw s ASP 16 CO 0.05 -1.10 1.73 0.03 0.21 0.00 0.00 175.17 176.09 1ggw h ARG 17 N 8.20 0.47 0.05 8.23 2.47 -1.89 -3.13 114.38 128.78 1ggw h ARG 17 Ca 0.30 -0.18 -0.29 0.00 -1.26 0.00 0.00 59.98 58.55 1ggw h ARG 17 Cb 0.93 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 1ggw h ARG 17 CO 1.32 0.69 -1.55 0.45 0.56 0.00 0.00 179.97 181.44 1ggw h HIS 18 N 0.42 0.17 -0.76 3.04 3.86 -1.87 -3.49 115.15 116.53 1ggw h HIS 18 Ca 0.06 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1ggw h HIS 18 Cb 0.66 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1ggw h HIS 18 CO 0.02 1.18 -0.02 0.41 0.86 0.00 0.00 177.93 180.39 1ggw n GLY 19 N 1.59 0.71 1.40 2.45 0.00 -1.18 -4.97 105.19 105.18 1ggw n GLY 19 Ca -0.15 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.08 0.32 -1.44 2.61 -2.24 -1.26 -4.97 114.28 104.21 1ggw n THR 20 Ca -0.00 -1.34 -0.13 0.00 -2.27 0.00 0.00 64.05 60.31 1ggw n THR 20 Cb 0.50 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.26 1.31 3.25 3.38 0.00 -1.26 -5.00 105.19 107.14 1ggw n GLY 21 Ca 0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.23 1.07 -0.08 1.61 0.52 -1.26 -3.29 118.95 114.29 1ggw s ARG 22 Ca 0.00 -1.41 -0.06 0.00 -0.52 0.00 0.00 55.73 53.74 1ggw s ARG 22 Cb 0.00 -0.73 0.02 0.00 0.52 0.00 0.00 34.95 34.76 1ggw s ARG 22 CO 0.00 0.11 0.20 0.96 0.02 0.00 0.00 175.30 176.59 1ggw s ILE 23 N -2.99 -0.01 0.69 1.52 -4.36 -1.08 -4.44 121.20 110.53 1ggw s ILE 23 Ca 0.15 0.03 -0.04 0.00 -0.26 0.00 0.00 60.65 60.53 1ggw s ILE 23 Cb 0.00 -0.29 0.08 0.00 1.25 0.00 0.00 42.46 43.50 1ggw s ILE 23 CO 0.02 0.01 0.97 -2.16 0.24 0.00 0.00 174.94 174.02 1ggw s PRO 24 N 0.32 2.01 0.42 0.37 0.04 -1.26 -1.56 135.00 135.34 1ggw s PRO 24 Ca -0.02 -0.63 0.26 0.00 0.04 0.00 0.00 61.00 60.65 1ggw s PRO 24 Cb -0.03 -2.27 1.31 0.00 0.04 0.00 0.00 34.50 33.56 1ggw s PRO 24 CO -0.01 -1.26 1.67 1.57 0.04 0.00 0.00 177.00 179.01 1ggw h LYS 25 N -0.50 0.18 -0.38 4.56 2.10 -1.89 0.83 116.57 121.47 1ggw h LYS 25 Ca -0.42 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.23 1ggw h LYS 25 Cb 1.29 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.51 0.12 0.25 1.79 -2.00 0.00 0.00 179.45 180.12 1ggw h THR 26 N 0.19 1.09 0.02 0.07 1.35 -1.95 -2.51 112.91 111.18 1ggw h THR 26 Ca 0.75 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 66.43 1ggw h THR 26 Cb 2.20 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1ggw h THR 26 CO -0.39 0.09 -0.01 -1.28 -0.25 0.00 0.00 175.52 173.68 1ggw h SER 27 N 0.51 -0.03 -1.05 5.36 0.87 -1.18 -3.22 113.55 114.81 1ggw h SER 27 Ca 0.14 -0.53 0.28 0.00 -1.23 0.00 0.00 61.79 60.45 1ggw h SER 27 Cb -0.05 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.83 1ggw h SER 27 CO -0.03 0.53 0.69 0.40 -0.53 0.00 0.00 176.83 177.88 1ggw h ILE 28 N -0.59 0.51 0.00 2.23 1.08 -1.39 0.21 117.51 119.55 1ggw h ILE 28 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1ggw h ILE 28 Cb 0.56 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1ggw h ILE 28 CO 0.01 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.14 1ggw n GLY 29 N -1.52 -2.59 0.26 5.37 0.00 -0.95 -1.04 105.19 104.73 1ggw n GLY 29 Ca 0.25 0.09 0.10 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 -0.19 1.61 3.04 -1.58 -2.30 116.42 117.01 1ggw h ASP 30 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 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 0.05 0.12 0.25 -2.04 0.00 0.00 179.24 177.62 1ggw h LEU 31 N 0.00 0.23 -1.42 0.15 5.85 -0.47 -2.22 115.31 117.42 1ggw h LEU 31 Ca -0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1ggw h LEU 31 Cb 0.10 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1ggw h LEU 31 CO 0.01 0.20 0.18 -0.07 -0.34 0.00 0.00 178.44 178.42 1ggw h LEU 32 N 0.24 0.51 -1.76 2.25 3.38 -0.52 -2.10 115.31 117.31 1ggw h LEU 32 Ca 0.07 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 32 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ggw h LEU 32 CO -0.01 0.45 0.35 -0.09 0.09 0.00 0.00 178.44 179.23 1ggw h ARG 33 N 0.57 0.26 -0.79 1.13 2.43 -1.13 -2.20 114.38 114.65 1ggw h ARG 33 Ca 0.14 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1ggw h ARG 33 Cb 0.09 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.49 1ggw h ARG 33 CO -0.02 0.17 0.37 0.00 -1.51 0.00 0.00 179.97 178.99 1ggw h ALA 34 N 1.74 1.14 -0.46 2.80 0.00 -1.24 -1.69 119.26 121.54 1ggw h ALA 34 Ca 0.24 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ggw h ALA 34 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ggw h ALA 34 CO -0.05 -0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.21 1ggw n GLY 36 N -0.64 -1.86 3.29 0.00 0.00 -0.64 -5.16 105.19 100.19 1ggw n GLY 36 Ca 0.01 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.40 1.22 0.05 1.61 -0.21 -1.25 -4.84 119.66 114.83 1ggw s GLN 37 Ca 0.00 -1.58 0.02 0.00 0.02 0.00 0.00 55.36 53.82 1ggw s GLN 37 Cb 0.00 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 1ggw s GLN 37 CO 0.00 -0.04 -0.07 0.54 -2.12 0.00 0.00 175.29 173.60 1ggw s ASN 38 N -3.24 0.89 0.22 5.90 4.22 -1.26 -3.44 114.94 118.22 1ggw s ASN 38 Ca 0.24 -0.63 0.00 0.00 -2.14 0.00 0.00 52.86 50.33 1ggw s ASN 38 Cb 0.05 0.05 0.00 0.00 1.28 0.00 0.00 41.25 42.62 1ggw s ASN 38 CO 0.05 -0.25 0.00 -0.81 -2.04 0.00 0.00 177.10 174.05 1ggw n PRO 39 N 1.21 1.21 -3.08 3.55 -0.04 -1.26 -4.97 135.00 131.62 1ggw n PRO 39 Ca -0.21 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.07 1ggw n PRO 39 Cb 0.56 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 0.32 3.19 0.38 0.52 -4.23 -1.26 -4.94 115.64 109.62 1ggw s THR 40 Ca 0.00 -0.98 0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1ggw s THR 40 Cb 0.00 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 71.09 1ggw s THR 40 CO 0.00 -0.03 1.89 -0.07 -0.54 0.00 0.00 174.62 175.86 1ggw h LEU 41 N 0.66 0.56 -1.26 4.79 -0.00 -2.00 0.99 115.31 119.04 1ggw h LEU 41 Ca -0.41 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 1ggw h LEU 41 Cb 1.28 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1ggw h LEU 41 CO 0.47 0.28 0.33 0.00 -0.00 0.00 0.00 178.44 179.52 1ggw h ALA 42 N 1.61 1.44 0.14 1.53 0.00 -1.99 -0.90 119.26 121.10 1ggw h ALA 42 Ca 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ggw h ALA 42 Cb 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ggw h ALA 42 CO -0.17 0.46 -0.07 1.49 0.00 0.00 0.00 179.25 180.96 1ggw h GLU 43 N 0.85 -0.18 -0.50 0.00 4.22 -1.19 -1.78 114.58 115.99 1ggw h GLU 43 Ca 0.22 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.70 1ggw h GLU 43 Cb 0.02 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1ggw h GLU 43 CO -0.04 0.18 0.27 -0.84 -2.18 0.00 0.00 179.01 176.40 1ggw h ILE 44 N -0.57 0.99 -1.01 2.32 -2.65 -1.28 -1.43 117.51 113.88 1ggw h ILE 44 Ca -0.02 -0.18 0.06 0.00 1.03 0.00 0.00 64.86 65.75 1ggw h ILE 44 Cb 0.44 0.41 -0.07 0.00 -2.05 0.00 0.00 36.82 35.56 1ggw h ILE 44 CO 0.03 0.10 0.65 0.74 0.03 0.00 0.00 178.15 179.70 1ggw h THR 45 N 0.53 1.11 -0.92 0.16 2.02 -1.19 -1.23 112.91 113.39 1ggw h THR 45 Ca 0.21 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1ggw h THR 45 Cb 0.09 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.25 1ggw h THR 45 CO -0.13 0.22 0.61 -0.33 0.37 0.00 0.00 175.52 176.25 1ggw h GLU 46 N 1.20 1.18 -0.07 6.66 4.39 -0.36 -1.35 114.58 126.22 1ggw h GLU 46 Ca 0.43 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1ggw h GLU 46 Cb 0.13 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1ggw h GLU 46 CO -0.16 0.78 0.03 0.82 -1.16 0.00 0.00 179.01 179.32 1ggw h ILE 47 N 1.22 1.15 -0.13 3.13 2.04 -0.52 -2.32 117.51 122.07 1ggw h ILE 47 Ca 0.35 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1ggw h ILE 47 Cb -0.09 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ggw h ILE 47 CO -0.09 0.12 0.17 -0.33 0.00 0.00 0.00 178.15 178.02 1ggw h GLU 48 N -0.05 0.00 0.00 2.37 5.08 -0.82 -1.26 114.58 119.90 1ggw h GLU 48 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ggw h GLU 48 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 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 -3.71 0.09 -0.01 1.42 2.88 -0.55 -3.26 113.62 110.47 1ggw n SER 49 Ca 0.00 0.53 -0.02 0.00 -1.33 0.00 0.00 58.87 58.06 1ggw n SER 49 Cb 0.28 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.61 0.16 -3.50 2.46 -2.24 -0.50 -5.05 114.28 104.00 1ggw n THR 50 Ca 0.01 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1ggw n THR 50 Cb 0.08 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 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 -5.31 4.19 0.27 3.22 1.43 -1.09 -5.03 118.68 116.37 1ggw s LEU 51 Ca -0.04 0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 1ggw s LEU 51 Cb 0.01 -3.52 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1ggw s LEU 51 CO 0.06 -0.05 0.28 -2.65 0.23 0.00 0.00 176.35 174.23 1ggw n PRO 52 N -0.19 0.00 -0.17 1.29 -0.02 -1.26 -4.64 135.00 130.01 1ggw n PRO 52 Ca -0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.43 1ggw n PRO 52 Cb 0.52 -0.92 -0.04 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.46 -0.26 -2.64 3.55 0.00 -1.26 -3.84 120.51 115.60 1ggw n ALA 53 Ca 0.13 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1ggw n ALA 53 Cb 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.93 4.18 -1.15 0.00 2.02 -1.26 -4.87 118.70 112.68 1ggw s GLU 54 Ca -0.05 0.76 -0.17 0.00 0.02 0.00 0.00 54.97 55.52 1ggw s GLU 54 Cb 0.04 -3.63 0.12 0.00 0.10 0.00 0.00 34.13 30.76 1ggw s GLU 54 CO 0.25 -0.41 1.45 0.08 0.02 0.00 0.00 175.26 176.65 1ggw s VAL 55 N 2.48 4.56 0.91 2.63 1.01 -0.60 -4.80 120.40 126.59 1ggw s VAL 55 Ca 0.31 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 1ggw s VAL 55 Cb -0.16 -4.98 0.19 0.00 0.00 0.00 0.00 36.38 31.43 1ggw s VAL 55 CO 0.09 -1.75 1.25 1.51 0.00 0.00 0.00 175.10 176.19 1ggw s ASP 56 N 3.69 3.38 0.30 3.32 1.47 -1.26 -2.65 116.67 124.92 1ggw s ASP 56 Ca 0.44 0.11 0.02 0.00 1.18 0.00 0.00 52.55 54.30 1ggw s ASP 56 Cb -0.01 -0.22 0.76 0.00 -0.34 0.00 0.00 42.92 43.11 1ggw s ASP 56 CO -0.01 -2.55 1.59 0.24 0.68 0.00 0.00 175.17 175.12 1ggw h MET 57 N -1.40 0.04 0.16 2.11 2.86 -1.94 0.10 114.93 116.87 1ggw h MET 57 Ca -0.42 -0.00 -0.01 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 0.38 0.03 -0.08 1.49 1.06 0.00 0.00 176.91 179.79 1ggw h GLU 58 N 0.04 -0.21 0.11 1.72 4.81 -1.92 -0.55 114.58 118.59 1ggw h GLU 58 Ca 0.59 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.85 1ggw h GLU 58 Cb 1.24 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1ggw h GLU 58 CO -0.86 0.08 -0.15 1.96 -0.73 0.00 0.00 179.01 179.31 1ggw h GLN 59 N -0.49 -0.30 -0.06 1.92 7.50 -1.37 0.15 115.11 122.45 1ggw h GLN 59 Ca -0.02 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.38 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1ggw h GLN 59 CO 0.04 -0.20 0.03 0.35 -1.50 0.00 0.00 178.83 177.54 1ggw h PHE 60 N -0.31 0.09 -0.00 2.96 3.57 -0.96 -2.62 116.94 119.66 1ggw h PHE 60 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1ggw h PHE 60 Cb 0.32 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1ggw h PHE 60 CO -0.15 0.18 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.96 1ggw h LEU 61 N -0.03 0.00 -0.04 0.59 3.38 -1.00 -0.71 115.31 117.51 1ggw h LEU 61 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 61 Cb 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ggw h LEU 61 CO -0.00 0.08 0.01 -0.61 0.09 0.00 0.00 178.44 178.01 1ggw h GLN 62 N 0.00 0.06 -0.14 1.13 5.75 -0.35 0.44 115.11 122.01 1ggw h GLN 62 Ca 0.00 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1ggw h GLN 62 Cb 0.14 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1ggw h GLN 62 CO 0.01 0.25 -0.19 -0.39 -2.65 0.00 0.00 178.83 175.86 1ggw h VAL 63 N -0.14 1.36 0.63 2.39 -1.51 -1.20 -2.92 116.25 114.86 1ggw h VAL 63 Ca 0.01 -1.40 -0.03 0.00 -1.23 0.00 0.00 66.70 64.05 1ggw h VAL 63 Cb 0.22 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1ggw h VAL 63 CO -0.00 0.41 -0.30 0.25 -1.23 0.00 0.00 177.57 176.70 1ggw h LEU 64 N -0.01 -0.72 -5.21 4.19 5.85 -1.15 -3.23 115.31 115.02 1ggw h LEU 64 Ca 0.02 -0.02 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1ggw h LEU 64 Cb 0.75 0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.81 1ggw h LEU 64 CO 0.04 -0.39 1.48 0.59 -0.34 0.00 0.00 178.44 179.82 1ggw n ASN 65 N -5.38 7.36 0.13 1.25 3.02 0.15 -4.63 115.26 117.16 1ggw n ASN 65 Ca -0.12 -3.22 -0.14 0.00 -0.03 0.00 0.00 54.58 51.07 1ggw n ASN 65 Cb 0.36 -1.29 -0.08 0.00 -0.61 0.00 0.00 39.78 38.17 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 3.88 -0.25 -0.80 3.52 1.12 -1.53 -2.70 114.38 117.62 1ggw h ARG 66 Ca 0.57 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.45 1ggw h ARG 66 Cb 0.46 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1ggw h ARG 66 CO 1.21 -0.15 0.00 -0.35 -3.11 0.00 0.00 179.97 177.57 1ggw n PRO 67 N -5.19 2.26 -2.27 0.20 -0.04 -1.26 -4.97 135.00 123.72 1ggw n PRO 67 Ca -0.09 -1.05 -0.02 0.00 -0.04 0.00 0.00 63.50 62.30 1ggw n PRO 67 Cb 0.13 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.21 -5.49 0.00 3.54 3.02 -1.02 -5.00 115.26 110.53 1ggw n ASN 68 Ca 0.09 1.44 0.00 0.00 -0.03 0.00 0.00 54.58 56.09 1ggw n ASN 68 Cb 0.54 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ggw n GLY 69 N 1.54 1.01 3.98 7.41 0.00 -1.26 -5.04 105.19 112.83 1ggw n GLY 69 Ca -0.14 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.35 2.99 -0.77 1.61 0.08 -1.26 -4.64 117.98 114.64 1ggw s PHE 70 Ca 0.00 -0.29 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 1ggw s PHE 70 Cb 0.00 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 1ggw s PHE 70 CO 0.00 -0.12 0.69 -0.25 -0.10 0.00 0.00 175.22 175.44 1ggw n ASP 71 N -1.68 -7.23 0.00 1.36 8.00 -1.26 -4.83 116.55 110.92 1ggw n ASP 71 Ca 0.02 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1ggw n ASP 71 Cb 0.59 -4.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1ggw n MET 72 N -1.98 0.00 -0.33 -1.24 1.56 -1.26 -5.00 117.12 108.87 1ggw n MET 72 Ca -0.06 0.00 0.17 0.00 -0.27 0.00 0.00 57.70 57.54 1ggw n MET 72 Cb 0.54 0.00 0.33 0.00 2.15 0.00 0.00 33.22 36.24 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1ggw h PRO 73 N 0.00 0.03 0.00 2.12 0.11 -1.82 -3.46 132.00 128.98 1ggw h PRO 73 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ggw h PRO 73 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ggw h PRO 73 CO 0.00 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.22 1ggw n GLY 74 N -1.45 1.09 3.75 -0.55 0.00 -1.26 -4.98 105.19 101.79 1ggw n GLY 74 Ca 0.25 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1ggw n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggw s ASP 75 N 0.00 7.25 0.24 1.61 -1.08 -1.26 -4.96 116.67 118.47 1ggw s ASP 75 Ca 0.00 2.19 -0.06 0.00 -0.52 0.00 0.00 52.55 54.16 1ggw s ASP 75 Cb 0.00 -2.62 0.30 0.00 -1.46 0.00 0.00 42.92 39.14 1ggw s ASP 75 CO 0.00 -0.19 1.87 -0.65 0.52 0.00 0.00 175.17 176.71 1ggw h PRO 76 N 4.49 1.00 -0.14 4.34 0.11 -2.00 -1.79 132.00 138.01 1ggw h PRO 76 Ca -0.45 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1ggw h PRO 76 Cb 1.21 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ggw h PRO 76 CO 0.70 0.66 -0.43 0.93 -0.21 0.00 0.00 178.00 179.65 1ggw h GLU 77 N 1.03 0.34 -0.55 1.05 5.08 -1.99 -1.91 114.58 117.64 1ggw h GLU 77 Ca 0.36 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1ggw h GLU 77 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1ggw h GLU 77 CO -0.14 0.71 0.08 0.93 -1.00 0.00 0.00 179.01 179.59 1ggw h GLU 78 N 0.28 0.92 -0.21 2.33 5.08 -1.75 -1.02 114.58 120.20 1ggw h GLU 78 Ca 0.02 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1ggw h GLU 78 Cb 0.88 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ggw h GLU 78 CO 0.07 0.89 -0.44 0.27 -1.00 0.00 0.00 179.01 178.80 1ggw h PHE 79 N 0.80 0.86 0.60 4.33 -5.15 -1.27 -1.52 116.94 115.59 1ggw h PHE 79 Ca 0.17 -0.31 -0.03 0.00 -0.20 0.00 0.00 57.97 57.59 1ggw h PHE 79 Cb 0.42 -0.16 0.01 0.00 0.22 0.00 0.00 35.95 36.44 1ggw h PHE 79 CO 0.03 1.09 -0.29 0.28 -2.00 0.00 0.00 178.31 177.42 1ggw h VAL 80 N 0.38 0.38 0.00 0.88 2.07 -1.28 -2.66 116.25 116.02 1ggw h VAL 80 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ggw h VAL 80 Cb 1.05 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1ggw h VAL 80 CO 0.10 0.02 -0.10 0.11 0.02 0.00 0.00 177.57 177.72 1ggw h LYS 81 N -0.90 0.00 0.20 1.57 6.56 -1.28 -0.14 116.57 122.59 1ggw h LYS 81 Ca -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1ggw h LYS 81 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1ggw h LYS 81 CO 0.13 0.10 -0.10 0.78 -2.06 0.00 0.00 179.45 178.30 1ggw h GLY 82 N 0.72 -0.29 1.07 3.86 0.00 -1.01 -3.31 103.07 104.12 1ggw h GLY 82 Ca -0.00 0.11 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 1ggw h GLY 82 CO 0.01 -0.10 -1.06 0.74 0.00 0.00 0.00 176.54 176.13 1ggw h PHE 83 N -0.54 0.88 -0.14 5.60 0.04 -1.37 -3.38 116.94 118.03 1ggw h PHE 83 Ca -0.03 -0.55 -0.69 0.00 2.80 0.00 0.00 57.97 59.50 1ggw h PHE 83 Cb 0.40 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1ggw h PHE 83 CO 0.01 1.39 2.85 1.04 -0.60 0.00 0.00 178.31 183.01 1ggw n GLN 84 N -3.92 2.72 -0.05 1.51 1.13 -0.08 -4.36 117.38 114.33 1ggw n GLN 84 Ca -0.13 -2.61 -0.08 0.00 -1.94 0.00 0.00 57.00 52.24 1ggw n GLN 84 Cb 0.90 -3.29 -0.05 0.00 0.11 0.00 0.00 30.24 27.92 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1ggw n VAL 85 N 5.47 0.60 -2.82 5.09 3.14 -1.26 -4.72 118.33 123.83 1ggw n VAL 85 Ca 0.51 -0.21 -0.00 0.00 -2.96 0.00 0.00 64.34 61.67 1ggw n VAL 85 Cb 0.40 -1.03 0.05 0.00 -1.06 0.00 0.00 33.84 32.21 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 -2.94 1.04 -2.89 1.45 3.72 -1.26 -4.93 117.46 111.64 1ggw n PHE 86 Ca -0.19 -2.14 -0.24 0.00 -0.05 0.00 0.00 57.45 54.83 1ggw n PHE 86 Cb 0.69 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 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 -0.64 3.62 -0.00 4.37 8.00 -1.26 -4.89 116.55 125.74 1ggw n ASP 87 Ca 0.05 -3.50 -0.12 0.00 0.71 0.00 0.00 54.79 51.94 1ggw n ASP 87 Cb 0.81 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ggw h LYS 88 N 2.91 0.09 0.00 -1.24 3.11 -1.97 -3.36 116.57 116.12 1ggw h LYS 88 Ca 0.14 -0.02 -0.41 0.00 -2.81 0.00 0.00 60.65 57.55 1ggw h LYS 88 Cb 0.71 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.87 1ggw h LYS 88 CO 0.74 0.23 -2.30 -3.47 -2.81 0.00 0.00 179.45 171.84 1ggw n ASP 89 N -4.96 1.95 -2.84 4.20 -0.08 -1.26 -5.07 116.55 108.50 1ggw n ASP 89 Ca -0.06 0.29 -0.03 0.00 -1.51 0.00 0.00 54.79 53.48 1ggw n ASP 89 Cb 0.11 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 42.78 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 -3.93 -2.61 -2.51 -1.67 0.00 -1.26 -4.91 120.51 103.62 1ggw n ALA 90 Ca -0.49 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1ggw n ALA 90 Cb 0.87 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 18.25 1ggw n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ggw n THR 91 N -1.21 4.59 -3.11 0.00 5.66 -1.26 -4.63 114.28 114.33 1ggw n THR 91 Ca 0.04 -4.79 -0.14 0.00 -3.05 0.00 0.00 64.05 56.11 1ggw n THR 91 Cb 0.47 -2.29 0.07 0.00 -1.55 0.00 0.00 70.33 67.03 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ggw n GLY 92 N 2.45 -0.75 3.64 1.09 0.00 -1.26 -5.04 105.19 105.32 1ggw n GLY 92 Ca 0.36 0.37 -0.06 0.00 0.00 0.00 0.00 46.02 46.69 1ggw n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ggw s MET 93 N -4.49 0.45 -0.15 1.61 1.00 -1.26 -4.50 119.30 111.96 1ggw s MET 93 Ca 0.30 0.62 -0.03 0.00 0.00 0.00 0.00 55.69 56.59 1ggw s MET 93 Cb -0.04 0.17 -0.08 0.00 0.00 0.00 0.00 34.83 34.88 1ggw s MET 93 CO 0.65 -0.07 -0.16 1.51 0.00 0.00 0.00 175.02 176.96 1ggw n ILE 94 N 2.85 0.84 -2.68 2.53 0.00 -1.26 -4.83 119.36 116.80 1ggw n ILE 94 Ca -0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 62.75 62.26 1ggw n ILE 94 Cb 0.57 -1.30 0.01 0.00 0.00 0.00 0.00 39.64 38.91 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 2.49 -1.28 0.33 4.50 0.00 -0.99 -4.65 105.19 105.59 1ggw n GLY 95 Ca -0.28 1.09 0.24 0.00 0.00 0.00 0.00 46.02 47.08 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 1.77 0.28 -1.13 1.61 2.07 -0.84 0.77 116.25 120.77 1ggw h VAL 96 Ca 0.00 -0.10 0.32 0.00 0.82 0.00 0.00 66.70 67.74 1ggw h VAL 96 Cb 0.87 -0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1ggw h VAL 96 CO 0.17 0.06 0.73 1.23 0.02 0.00 0.00 177.57 179.78 1ggw h GLY 97 N 0.30 1.23 0.48 2.17 0.00 -1.79 0.25 103.07 105.71 1ggw h GLY 97 Ca 0.74 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.75 1ggw h GLY 97 CO -0.62 -0.22 -0.68 0.83 0.00 0.00 0.00 176.54 175.85 1ggw h GLU 98 N 0.28 0.21 -0.82 4.80 4.39 -1.13 -2.17 114.58 120.14 1ggw h GLU 98 Ca 0.67 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 60.05 1ggw h GLU 98 Cb 1.86 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 30.59 1ggw h GLU 98 CO -0.33 1.17 0.52 1.37 -1.16 0.00 0.00 179.01 180.57 1ggw h LEU 99 N -0.54 0.84 -0.23 1.33 8.10 -1.08 -2.28 115.31 121.45 1ggw h LEU 99 Ca -0.13 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.65 1ggw h LEU 99 Cb 1.48 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 41.53 1ggw h LEU 99 CO 0.09 0.56 -0.87 0.08 -4.11 0.00 0.00 178.44 174.19 1ggw h ARG 100 N 0.98 0.45 -0.92 0.17 -0.00 -0.71 -2.12 114.38 112.23 1ggw h ARG 100 Ca 0.34 -0.44 0.15 0.00 -0.00 0.00 0.00 59.98 60.03 1ggw h ARG 100 Cb 0.07 0.11 -0.09 0.00 -0.00 0.00 0.00 29.97 30.06 1ggw h ARG 100 CO -0.14 1.09 0.53 -0.92 -0.00 0.00 0.00 179.97 180.53 1ggw h TYR 101 N 0.28 0.94 0.00 4.08 3.20 -0.82 0.30 116.97 124.94 1ggw h TYR 101 Ca -0.07 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1ggw h TYR 101 Cb 1.49 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1ggw h TYR 101 CO 0.06 0.27 -0.32 0.28 -1.64 0.00 0.00 178.16 176.81 1ggw h VAL 102 N 0.76 1.08 -0.42 1.81 2.07 -1.50 -3.31 116.25 116.74 1ggw h VAL 102 Ca 0.49 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1ggw h VAL 102 Cb 0.65 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1ggw h VAL 102 CO -0.33 0.37 0.15 -0.07 0.02 0.00 0.00 177.57 177.71 1ggw h LEU 103 N -1.00 0.17 -1.47 2.57 3.38 -1.25 -2.24 115.31 115.48 1ggw h LEU 103 Ca -0.08 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 103 Cb 0.82 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1ggw h LEU 103 CO -0.05 0.13 0.41 0.74 0.09 0.00 0.00 178.44 179.77 1ggw h THR 104 N 0.32 1.04 0.00 0.22 2.02 -0.59 -0.92 112.91 115.00 1ggw h THR 104 Ca 0.19 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1ggw h THR 104 Cb 0.17 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ggw h THR 104 CO -0.19 0.12 -0.06 0.28 0.37 0.00 0.00 175.52 176.05 1ggw h SER 105 N 0.67 0.00 0.18 4.18 0.02 -1.49 -1.81 113.55 115.30 1ggw h SER 105 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1ggw h SER 105 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ggw h SER 105 CO -0.08 0.06 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.52 1ggw h LEU 106 N 0.00 -0.20 -5.00 5.07 3.38 -1.04 -3.44 115.31 114.08 1ggw h LEU 106 Ca -0.00 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1ggw h LEU 106 Cb 0.44 0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.04 1ggw h LEU 106 CO 0.01 -0.10 -0.50 0.61 0.09 0.00 0.00 178.44 178.54 1ggw n GLY 107 N -0.18 1.39 3.19 0.83 0.00 -1.24 -4.99 105.19 104.18 1ggw n GLY 107 Ca -0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.53 -6.06 0.00 1.61 4.71 -0.68 -5.03 120.64 114.65 1ggw n GLU 108 Ca -0.01 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.89 1ggw n GLU 108 Cb 0.85 -5.50 0.00 0.00 -1.01 0.00 0.00 31.44 25.77 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 -3.88 2.75 -1.87 3.49 4.76 -1.24 -4.63 118.16 117.53 1ggw n LYS 109 Ca -0.22 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.91 1ggw n LYS 109 Cb 0.64 0.00 -0.06 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 3.23 0.00 -0.35 4.77 -1.26 -4.81 117.00 118.57 1ggw n LEU 110 Ca 0.00 -3.10 -0.05 0.00 -0.03 0.00 0.00 56.01 52.83 1ggw n LEU 110 Cb 0.00 -1.61 0.04 0.00 -2.33 0.00 0.00 43.42 39.52 1ggw n LEU 110 CO 0.00 -1.57 0.09 -1.54 -1.33 0.00 0.00 177.39 173.03 1ggw n SER 111 N 13.09 -1.30 -0.35 -1.43 3.41 -1.26 -4.45 113.62 121.33 1ggw n SER 111 Ca 0.46 -0.55 0.14 0.00 -0.26 0.00 0.00 58.87 58.66 1ggw n SER 111 Cb 0.45 -0.15 0.35 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.38 0.74 0.29 4.04 2.35 -1.95 -1.59 115.58 118.08 1ggw h ASN 112 Ca -0.06 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1ggw h ASN 112 Cb 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1ggw h ASN 112 CO 0.04 0.24 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.85 1ggw h GLU 113 N 0.71 -0.37 -0.04 0.81 4.81 -1.97 0.15 114.58 118.68 1ggw h GLU 113 Ca 0.58 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.87 1ggw h GLU 113 Cb 0.98 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1ggw h GLU 113 CO -0.38 -0.12 -0.19 1.49 -0.73 0.00 0.00 179.01 179.08 1ggw h GLU 114 N -0.59 -0.28 0.00 1.92 4.57 -1.71 -1.37 114.58 117.12 1ggw h GLU 114 Ca -0.04 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1ggw h GLU 114 Cb 0.43 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1ggw h GLU 114 CO 0.06 -0.19 -0.22 0.00 -1.18 0.00 0.00 179.01 177.49 1ggw h MET 115 N -0.29 0.00 -0.56 1.92 -0.00 -1.34 -2.71 114.93 111.96 1ggw h MET 115 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.80 1ggw h MET 115 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.95 1ggw h MET 115 CO -0.21 0.22 0.34 -0.44 -0.00 0.00 0.00 176.91 176.81 1ggw h ASP 116 N 0.00 0.55 -0.34 -0.10 5.19 0.44 0.26 116.42 122.42 1ggw h ASP 116 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1ggw h ASP 116 Cb 0.45 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1ggw h ASP 116 CO 0.03 0.39 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.13 1ggw h GLU 117 N 0.67 0.65 -0.71 3.56 3.07 -1.16 -1.12 114.58 119.53 1ggw h GLU 117 Ca 0.22 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1ggw h GLU 117 Cb 0.02 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1ggw h GLU 117 CO -0.10 0.81 0.43 1.37 -1.40 0.00 0.00 179.01 180.12 1ggw h LEU 118 N 0.43 0.86 -0.89 1.33 8.10 -1.16 -2.25 115.31 121.73 1ggw h LEU 118 Ca 0.09 -0.06 -0.11 0.00 0.11 0.00 0.00 57.88 57.90 1ggw h LEU 118 Cb 0.57 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.56 1ggw h LEU 118 CO 0.03 0.67 -0.52 -0.07 -4.11 0.00 0.00 178.44 174.45 1ggw h LEU 119 N 0.97 0.00 -0.67 0.17 3.38 -0.43 -2.66 115.31 116.08 1ggw h LEU 119 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1ggw h LEU 119 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ggw h LEU 119 CO -0.05 0.52 0.21 0.11 0.09 0.00 0.00 178.44 179.32 1ggw h LYS 120 N 0.00 1.03 -0.03 1.13 1.57 -0.63 -3.21 116.57 116.44 1ggw h LYS 120 Ca -0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1ggw h LYS 120 Cb 0.97 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ggw h LYS 120 CO 0.07 0.90 -0.08 0.78 -0.57 0.00 0.00 179.45 180.55 1ggw h GLY 121 N 0.97 0.11 -5.05 3.86 0.00 -1.37 -3.43 103.07 98.16 1ggw h GLY 121 Ca 0.22 -0.14 -0.57 0.00 0.00 0.00 0.00 47.33 46.83 1ggw h GLY 121 CO -0.01 0.13 0.54 0.14 0.00 0.00 0.00 176.54 177.34 1ggw s VAL 122 N -3.81 4.80 -1.25 4.60 1.01 -1.01 -4.95 120.40 119.79 1ggw s VAL 122 Ca -0.16 1.88 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 1ggw s VAL 122 Cb 0.02 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1ggw s VAL 122 CO 0.70 -0.02 2.45 -0.81 0.00 0.00 0.00 175.10 177.42 1ggw n PRO 123 N 5.35 2.77 -4.48 2.72 -0.04 -1.26 -4.75 135.00 135.31 1ggw n PRO 123 Ca 0.08 -1.93 -0.25 0.00 -0.04 0.00 0.00 63.50 61.35 1ggw n PRO 123 Cb 0.48 -2.74 -0.08 0.00 -0.04 0.00 0.00 33.50 31.12 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 3.05 0.46 -0.10 0.52 -7.23 -1.26 -5.13 120.40 110.71 1ggw s VAL 124 Ca 0.54 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1ggw s VAL 124 Cb 0.14 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 1ggw s VAL 124 CO -0.04 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.99 1ggw s LYS 125 N -3.65 3.05 0.00 4.82 -0.14 -1.26 -4.70 119.74 117.86 1ggw s LYS 125 Ca 0.26 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 1ggw s LYS 125 Cb 0.02 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 1ggw s LYS 125 CO 0.17 0.20 0.00 -0.25 -0.76 0.00 0.00 175.35 174.71 1ggw n ASP 126 N 3.47 0.00 0.00 2.83 8.00 -1.26 -3.87 116.55 125.72 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 0.91 3.46 0.44 0.00 -1.26 -2.56 105.19 106.18 1ggw n GLY 127 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 0.08 3.46 0.00 1.61 0.00 -1.25 -0.56 119.30 122.64 1ggw s MET 128 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 55.69 55.06 1ggw s MET 128 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 34.83 31.29 1ggw s MET 128 CO 0.00 -0.35 0.95 0.28 0.00 0.00 0.00 175.02 175.89 1ggw n VAL 129 N 4.99 0.00 -1.99 10.11 0.31 -1.26 -4.84 118.33 125.64 1ggw n VAL 129 Ca -0.14 -0.02 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 1ggw n VAL 129 Cb 0.50 0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 33.84 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 0.01 -4.90 -4.23 4.52 5.15 -1.26 -2.42 115.26 112.13 1ggw n ASN 130 Ca 0.00 0.24 -0.34 0.00 -0.60 0.00 0.00 54.58 53.88 1ggw n ASN 130 Cb 0.68 -4.24 -0.05 0.00 -0.53 0.00 0.00 39.78 35.65 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 -3.02 -1.53 -0.01 1.20 9.36 -1.26 -4.80 117.16 117.10 1ggw n TYR 131 Ca -0.19 0.73 -0.04 0.00 3.32 0.00 0.00 57.90 61.72 1ggw n TYR 131 Cb 0.62 -2.95 -0.01 0.00 -0.63 0.00 0.00 39.34 36.37 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 -4.37 0.00 -0.24 2.98 8.25 -1.02 -4.49 115.22 116.33 1ggw n HIS 132 Ca -0.09 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1ggw n HIS 132 Cb 0.57 -0.16 0.34 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.19 0.71 0.54 0.41 3.58 -1.89 0.39 116.42 119.98 1ggw h ASP 133 Ca -0.09 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1ggw h ASP 133 Cb 0.79 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.72 1ggw h ASP 133 CO -0.05 0.42 -0.26 -0.26 -2.88 0.00 0.00 179.24 176.21 1ggw h PHE 134 N 0.78 -0.67 -0.26 0.28 0.04 -1.90 -2.51 116.94 112.70 1ggw h PHE 134 Ca 0.38 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.11 1ggw h PHE 134 Cb 0.43 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1ggw h PHE 134 CO -0.00 -0.37 0.05 0.28 -0.60 0.00 0.00 178.31 177.66 1ggw h VAL 135 N -1.13 1.14 0.25 -0.55 2.07 -1.75 -1.28 116.25 115.00 1ggw h VAL 135 Ca -0.07 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ggw h VAL 135 Cb 0.60 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ggw h VAL 135 CO 0.12 0.17 -0.12 -0.61 0.02 0.00 0.00 177.57 177.15 1ggw h GLN 136 N 0.37 -0.33 0.00 1.57 4.15 -0.24 -1.84 115.11 118.78 1ggw h GLN 136 Ca 0.09 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 1ggw h GLN 136 Cb 0.17 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1ggw h GLN 136 CO -0.00 -0.18 -0.29 1.98 -1.93 0.00 0.00 178.83 178.41 1ggw h MET 137 N -0.40 0.00 -0.55 1.69 4.05 -1.25 -2.81 114.93 115.66 1ggw h MET 137 Ca -0.03 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1ggw h MET 137 Cb 0.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1ggw h MET 137 CO 0.06 0.29 0.17 0.82 0.23 0.00 0.00 176.91 178.47 1ggw h ILE 138 N 0.00 1.24 -1.00 1.77 1.08 -0.86 -2.88 117.51 116.85 1ggw h ILE 138 Ca -0.00 -0.81 -0.67 0.00 -0.39 0.00 0.00 64.86 62.99 1ggw h ILE 138 Cb 0.60 0.72 -0.31 0.00 -3.07 0.00 0.00 36.82 34.76 1ggw h ILE 138 CO 0.04 0.30 0.66 0.18 -0.69 0.00 0.00 178.15 178.64 1ggw n LEU 139 N -4.44 7.34 -3.23 1.44 4.32 -0.73 -4.68 117.00 117.03 1ggw n LEU 139 Ca 0.02 -4.37 -0.24 0.00 -0.02 0.00 0.00 56.01 51.40 1ggw n LEU 139 Cb 0.21 -0.90 -0.06 0.00 -1.62 0.00 0.00 43.42 41.04 1ggw n LEU 139 CO 0.40 1.57 -0.12 0.00 -1.22 0.00 0.00 177.39 178.01 1ggw n ALA 140 N -0.88 3.15 -0.69 -1.18 0.00 -1.09 -5.00 120.51 114.82 1ggw n ALA 140 Ca 0.60 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1ggw n ALA 140 Cb 0.68 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59