#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 -2.70 0.44 -2.24 -1.26 -5.05 114.28 103.47 1ggw n THR 3 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1ggw n THR 3 Cb 0.00 -0.31 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ggw n ASP 4 N -3.18 -1.87 -4.60 3.42 5.68 -1.26 -5.12 116.55 109.63 1ggw n ASP 4 Ca 0.00 -2.90 -0.43 0.00 -0.50 0.00 0.00 54.79 50.96 1ggw n ASP 4 Cb 0.00 1.58 -0.03 0.00 -1.14 0.00 0.00 41.12 41.53 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ggw s ASP 5 N -0.83 5.74 0.12 -1.12 1.01 -1.26 -4.88 116.67 115.46 1ggw s ASP 5 Ca 0.21 1.37 -0.18 0.00 0.71 0.00 0.00 52.55 54.66 1ggw s ASP 5 Cb 0.29 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1ggw s ASP 5 CO -0.11 -1.82 1.72 -1.28 0.21 0.00 0.00 175.17 173.89 1ggw h SER 6 N 13.56 0.38 1.13 0.27 0.87 -1.97 0.44 113.55 128.22 1ggw h SER 6 Ca -0.34 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1ggw h SER 6 Cb 1.18 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1ggw h SER 6 CO 1.03 0.37 -0.17 -0.81 -0.53 0.00 0.00 176.83 176.72 1ggw n PRO 7 N -4.80 0.17 -0.01 2.24 -0.04 -1.26 -0.44 135.00 130.86 1ggw n PRO 7 Ca -0.02 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1ggw n PRO 7 Cb 0.08 -1.66 -0.01 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.94 0.00 0.13 0.54 4.01 -1.14 -4.45 117.16 114.31 1ggw n TYR 8 Ca 0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.73 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 0.87 -0.46 0.00 0.00 176.86 177.27 1ggw h LYS 9 N -0.38 -0.39 -0.18 -0.72 1.57 -0.52 -1.68 116.57 114.27 1ggw h LYS 9 Ca 0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ggw h LYS 9 Cb 0.38 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1ggw h LYS 9 CO 0.00 -0.26 0.06 0.37 -0.57 0.00 0.00 179.45 179.05 1ggw h GLN 10 N -0.90 0.14 -0.86 3.15 4.15 -0.72 -2.42 115.11 117.65 1ggw h GLN 10 Ca -0.04 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.42 1ggw h GLN 10 Cb 0.31 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.91 1ggw h GLN 10 CO 0.07 0.09 0.55 0.00 -1.93 0.00 0.00 178.83 177.61 1ggw h ALA 11 N 1.12 1.17 -0.67 3.38 0.00 -0.89 -1.84 119.26 121.52 1ggw h ALA 11 Ca 0.08 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ggw h ALA 11 Cb 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1ggw h ALA 11 CO -0.09 0.34 0.30 0.35 0.00 0.00 0.00 179.25 180.15 1ggw h PHE 12 N 1.03 0.54 -0.52 0.00 3.04 -0.83 -0.75 116.94 119.45 1ggw h PHE 12 Ca 0.36 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 1ggw h PHE 12 Cb 0.09 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 1ggw h PHE 12 CO -0.03 0.17 0.19 0.77 -2.02 0.00 0.00 178.31 177.39 1ggw h SER 13 N 0.52 0.68 -0.54 0.41 0.02 -0.95 -2.58 113.55 111.11 1ggw h SER 13 Ca 0.34 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1ggw h SER 13 Cb 0.38 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ggw h SER 13 CO -0.29 0.63 0.32 -0.07 -1.14 0.00 0.00 176.83 176.28 1ggw h LEU 14 N 0.74 0.67 -3.26 5.07 3.38 -0.66 -2.37 115.31 118.88 1ggw h LEU 14 Ca 0.18 -0.04 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 1ggw h LEU 14 Cb 0.18 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 40.59 1ggw h LEU 14 CO -0.01 0.54 0.41 0.49 0.09 0.00 0.00 178.44 179.95 1ggw n PHE 15 N -4.41 1.72 -2.09 1.13 3.72 -0.97 -4.96 117.46 111.60 1ggw n PHE 15 Ca 0.05 -1.57 -0.42 0.00 -0.05 0.00 0.00 57.45 55.47 1ggw n PHE 15 Cb 0.09 -0.78 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 1ggw n PHE 15 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1ggw s ASP 16 N -0.20 6.75 -0.02 4.37 -4.77 -0.90 -4.84 116.67 117.06 1ggw s ASP 16 Ca 0.33 2.52 -0.23 0.00 -3.30 0.00 0.00 52.55 51.87 1ggw s ASP 16 Cb 0.27 -2.61 -0.16 0.00 -1.09 0.00 0.00 42.92 39.33 1ggw s ASP 16 CO 0.04 -0.66 1.04 -0.09 0.70 0.00 0.00 175.17 176.20 1ggw h ARG 17 N 5.72 -0.31 0.00 2.11 9.65 -1.92 -3.40 114.38 126.24 1ggw h ARG 17 Ca -0.44 0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.37 1ggw h ARG 17 Cb 1.21 0.07 -0.18 0.00 -1.39 0.00 0.00 29.97 29.68 1ggw h ARG 17 CO 0.81 0.06 -0.72 0.72 2.80 0.00 0.00 179.97 183.65 1ggw n HIS 18 N -5.03 0.00 -3.49 2.20 8.25 -1.26 -5.00 115.22 110.89 1ggw n HIS 18 Ca -0.09 -0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 56.77 1ggw n HIS 18 Cb 0.26 -0.12 0.07 0.00 1.12 0.00 0.00 29.99 31.33 1ggw n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggw n GLY 19 N 0.07 -0.41 0.07 -1.41 0.00 -1.26 -4.92 105.19 97.32 1ggw n GLY 19 Ca 0.05 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.74 0.98 0.00 2.61 -2.24 -1.26 -5.03 114.28 104.60 1ggw n THR 20 Ca -0.01 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1ggw n THR 20 Cb 0.56 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 2.19 1.01 3.54 3.38 0.00 -1.26 -5.13 105.19 108.92 1ggw n GLY 21 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 1.84 -0.02 1.61 3.00 -1.26 -3.50 118.95 120.61 1ggw s ARG 22 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 55.73 53.93 1ggw s ARG 22 Cb 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 34.95 33.17 1ggw s ARG 22 CO 0.00 0.23 0.00 0.96 0.00 0.00 0.00 175.30 176.49 1ggw s ILE 23 N -2.54 0.11 0.74 1.52 -4.36 -0.72 -3.81 121.20 112.14 1ggw s ILE 23 Ca 0.32 0.08 -0.09 0.00 -0.26 0.00 0.00 60.65 60.70 1ggw s ILE 23 Cb -0.01 -0.19 0.06 0.00 1.25 0.00 0.00 42.46 43.57 1ggw s ILE 23 CO 0.17 0.11 1.09 -2.16 0.24 0.00 0.00 174.94 174.38 1ggw s PRO 24 N 0.79 2.19 0.42 0.37 0.04 -1.26 -2.27 135.00 135.27 1ggw s PRO 24 Ca -0.07 -0.03 0.24 0.00 0.04 0.00 0.00 61.00 61.18 1ggw s PRO 24 Cb -0.11 -2.07 1.28 0.00 0.04 0.00 0.00 34.50 33.64 1ggw s PRO 24 CO -0.02 -1.35 1.69 1.57 0.04 0.00 0.00 177.00 178.94 1ggw h LYS 25 N -0.78 0.22 -0.51 4.56 2.10 -1.90 0.19 116.57 120.45 1ggw h LYS 25 Ca -0.45 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 1ggw h LYS 25 Cb 1.31 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1ggw h LYS 25 CO 0.63 0.14 0.26 1.79 -2.00 0.00 0.00 179.45 180.27 1ggw h THR 26 N 0.22 1.19 -0.18 0.07 1.35 -1.96 -2.37 112.91 111.23 1ggw h THR 26 Ca 0.72 -0.52 -0.06 0.00 -0.55 0.00 0.00 66.41 66.00 1ggw h THR 26 Cb 2.08 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1ggw h THR 26 CO -0.37 0.21 -0.14 0.28 -0.25 0.00 0.00 175.52 175.24 1ggw h SER 27 N 0.68 0.44 -0.68 5.36 0.02 -0.98 -3.17 113.55 115.23 1ggw h SER 27 Ca 0.18 -0.45 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1ggw h SER 27 Cb 0.10 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1ggw h SER 27 CO -0.02 0.80 0.45 0.40 -1.14 0.00 0.00 176.83 177.31 1ggw h ILE 28 N 0.09 0.96 0.11 3.27 1.08 -1.31 -0.38 117.51 121.32 1ggw h ILE 28 Ca 0.03 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1ggw h ILE 28 Cb 0.66 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1ggw h ILE 28 CO 0.04 0.11 -0.12 1.23 -0.69 0.00 0.00 178.15 178.72 1ggw h GLY 29 N 0.61 -0.89 1.91 5.37 0.00 -1.39 0.11 103.07 108.79 1ggw h GLY 29 Ca 0.30 0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 1ggw h GLY 29 CO -0.10 -0.31 -0.19 1.29 0.00 0.00 0.00 176.54 177.23 1ggw h ASP 30 N -0.23 0.10 -0.03 0.19 3.04 -1.64 -2.85 116.42 115.01 1ggw h ASP 30 Ca -0.01 -0.02 0.01 0.00 -3.24 0.00 0.00 57.03 53.76 1ggw h ASP 30 Cb 0.20 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.46 1ggw h ASP 30 CO -0.02 0.31 -0.02 0.25 -2.04 0.00 0.00 179.24 177.71 1ggw h LEU 31 N 0.10 -0.05 -1.75 0.15 5.85 -0.86 -1.98 115.31 116.77 1ggw h LEU 31 Ca 0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ggw h LEU 31 Cb 0.41 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ggw h LEU 31 CO 0.03 -0.02 0.22 -0.07 -0.34 0.00 0.00 178.44 178.25 1ggw h LEU 32 N -0.02 0.28 -0.92 2.25 3.38 -0.56 -1.96 115.31 117.77 1ggw h LEU 32 Ca 0.02 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1ggw h LEU 32 Cb 0.04 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1ggw h LEU 32 CO -0.04 0.20 0.56 -0.09 0.09 0.00 0.00 178.44 179.15 1ggw h ARG 33 N 0.33 0.90 0.00 1.13 9.65 -0.37 0.11 114.38 126.12 1ggw h ARG 33 Ca 0.13 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1ggw h ARG 33 Cb 0.12 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1ggw h ARG 33 CO -0.03 0.60 -0.43 0.00 2.80 0.00 0.00 179.97 182.91 1ggw h ALA 34 N 1.48 1.18 -0.64 2.80 0.00 -1.26 -3.11 119.26 119.71 1ggw h ALA 34 Ca 0.44 -0.39 -0.43 0.00 0.00 0.00 0.00 54.91 54.53 1ggw h ALA 34 Cb 0.37 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 17.81 1ggw h ALA 34 CO -0.24 0.53 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 1ggw n GLY 36 N -0.91 0.17 3.43 0.00 0.00 0.22 -4.84 105.19 103.26 1ggw n GLY 36 Ca 0.43 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1ggw n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggw s GLN 37 N 0.00 1.76 -0.27 1.61 0.74 -1.00 -4.69 119.66 117.81 1ggw s GLN 37 Ca 0.00 -2.04 0.00 0.00 0.05 0.00 0.00 55.36 53.37 1ggw s GLN 37 Cb 0.00 -0.39 0.08 0.00 1.10 0.00 0.00 33.01 33.80 1ggw s GLN 37 CO 0.00 -0.45 0.03 0.54 -0.55 0.00 0.00 175.29 174.86 1ggw s ASN 38 N -3.49 3.88 0.26 6.67 2.20 -1.26 -1.23 114.94 121.96 1ggw s ASN 38 Ca 0.31 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 50.82 1ggw s ASN 38 Cb 0.04 -1.03 0.00 0.00 -2.00 0.00 0.00 41.25 38.26 1ggw s ASN 38 CO 0.17 -0.33 0.00 -0.81 -2.94 0.00 0.00 177.10 173.19 1ggw n PRO 39 N 4.74 0.82 -2.74 3.55 -0.04 -1.26 -5.01 135.00 135.05 1ggw n PRO 39 Ca -0.06 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 1ggw n PRO 39 Cb 0.44 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.17 3.23 0.45 0.52 -4.23 -1.26 -4.97 115.64 109.22 1ggw s THR 40 Ca 0.00 -0.54 0.16 0.00 -1.18 0.00 0.00 61.69 60.13 1ggw s THR 40 Cb 0.00 -3.21 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1ggw s THR 40 CO 0.00 -0.16 1.98 -0.07 -0.54 0.00 0.00 174.62 175.83 1ggw h LEU 41 N 0.16 0.30 -1.30 4.79 -0.00 -1.98 -0.12 115.31 117.16 1ggw h LEU 41 Ca -0.44 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.49 1ggw h LEU 41 Cb 1.28 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 1ggw h LEU 41 CO 0.55 0.17 0.49 0.00 -0.00 0.00 0.00 178.44 179.66 1ggw h ALA 42 N 1.70 1.56 0.41 1.53 0.00 -1.98 0.15 119.26 122.64 1ggw h ALA 42 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ggw h ALA 42 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ggw h ALA 42 CO -0.07 0.36 -0.20 0.93 0.00 0.00 0.00 179.25 180.27 1ggw h GLU 43 N 0.91 -0.54 -0.48 0.00 3.07 -1.39 -0.76 114.58 115.39 1ggw h GLU 43 Ca 0.30 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1ggw h GLU 43 Cb 0.06 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1ggw h GLU 43 CO -0.09 -0.23 0.28 -0.84 -1.40 0.00 0.00 179.01 176.73 1ggw h ILE 44 N -0.93 1.03 -0.75 3.13 -2.65 -1.37 -1.79 117.51 114.18 1ggw h ILE 44 Ca -0.06 -0.19 0.02 0.00 1.03 0.00 0.00 64.86 65.66 1ggw h ILE 44 Cb 0.56 0.43 -0.04 0.00 -2.05 0.00 0.00 36.82 35.72 1ggw h ILE 44 CO 0.09 0.10 0.49 0.74 0.03 0.00 0.00 178.15 179.60 1ggw h THR 45 N 0.55 1.16 -0.89 0.16 2.02 -0.77 -1.71 112.91 113.44 1ggw h THR 45 Ca 0.20 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1ggw h THR 45 Cb 0.04 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.49 1ggw h THR 45 CO -0.10 0.18 0.58 -0.33 0.37 0.00 0.00 175.52 176.21 1ggw h GLU 46 N 0.97 0.97 0.11 6.66 4.39 -0.48 -1.50 114.58 125.70 1ggw h GLU 46 Ca 0.28 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1ggw h GLU 46 Cb -0.06 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.37 1ggw h GLU 46 CO -0.08 0.64 -0.05 0.82 -1.16 0.00 0.00 179.01 179.18 1ggw h ILE 47 N 1.00 0.96 -0.13 3.13 2.04 -0.50 -2.25 117.51 121.76 1ggw h ILE 47 Ca 0.38 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1ggw h ILE 47 Cb 0.21 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1ggw h ILE 47 CO -0.14 0.07 0.19 -0.33 0.00 0.00 0.00 178.15 177.94 1ggw h GLU 48 N -0.29 0.00 0.00 2.37 5.08 -0.80 -1.22 114.58 119.73 1ggw h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ggw h GLU 48 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ggw h GLU 48 CO 0.03 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.47 1ggw n SER 49 N -3.58 0.00 -0.01 1.42 7.64 -0.63 -3.46 113.62 115.00 1ggw n SER 49 Ca 0.00 0.40 -0.03 0.00 1.01 0.00 0.00 58.87 60.26 1ggw n SER 49 Cb 0.29 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.43 0.15 -3.10 0.44 -2.24 -0.47 -5.06 114.28 102.57 1ggw n THR 50 Ca 0.02 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1ggw n THR 50 Cb 0.07 -1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 67.09 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 -5.79 3.89 0.44 3.22 2.01 -1.16 -5.03 118.68 116.26 1ggw s LEU 51 Ca -0.04 0.71 -0.20 0.00 0.01 0.00 0.00 54.13 54.61 1ggw s LEU 51 Cb 0.01 -3.59 -0.15 0.00 0.01 0.00 0.00 46.19 42.47 1ggw s LEU 51 CO 0.05 -0.36 0.09 -2.65 1.01 0.00 0.00 176.35 174.49 1ggw n PRO 52 N -1.68 0.07 -0.07 1.29 -0.02 -1.26 -4.67 135.00 128.66 1ggw n PRO 52 Ca -0.02 0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1ggw n PRO 52 Cb 0.55 -1.07 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.17 -0.10 -2.68 3.55 0.00 -1.26 -3.99 120.51 114.86 1ggw n ALA 53 Ca 0.10 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 1ggw n ALA 53 Cb 0.42 0.18 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1ggw n ALA 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ggw s GLU 54 N -3.64 4.30 -0.94 0.00 2.12 -1.26 -4.90 118.70 114.37 1ggw s GLU 54 Ca -0.02 0.85 -0.20 0.00 0.36 0.00 0.00 54.97 55.95 1ggw s GLU 54 Cb 0.02 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.96 1ggw s GLU 54 CO 0.10 -0.21 1.21 0.08 -0.54 0.00 0.00 175.26 175.90 1ggw s VAL 55 N 1.78 4.45 0.79 3.70 1.01 -0.96 -4.80 120.40 126.37 1ggw s VAL 55 Ca 0.35 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ggw s VAL 55 Cb -0.17 -4.86 0.17 0.00 0.00 0.00 0.00 36.38 31.52 1ggw s VAL 55 CO 0.13 -1.64 1.08 -0.90 0.00 0.00 0.00 175.10 173.77 1ggw n ASP 56 N 7.36 0.84 -0.34 3.32 5.68 -1.26 -1.76 116.55 130.37 1ggw n ASP 56 Ca 0.24 -1.85 0.05 0.00 -0.50 0.00 0.00 54.79 52.74 1ggw n ASP 56 Cb 0.49 -0.75 0.14 0.00 -1.14 0.00 0.00 41.12 39.86 1ggw n ASP 56 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1ggw h MET 57 N 0.00 0.00 0.28 0.11 2.86 -1.95 0.15 114.93 116.38 1ggw h MET 57 Ca -0.35 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1ggw h MET 57 Cb 1.15 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1ggw h MET 57 CO 0.32 0.00 -0.14 1.49 1.06 0.00 0.00 176.91 179.65 1ggw h GLU 58 N 0.00 -0.37 0.12 1.72 4.81 -1.92 -0.39 114.58 118.55 1ggw h GLU 58 Ca 0.46 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1ggw h GLU 58 Cb 0.71 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 1ggw h GLU 58 CO -0.98 -0.13 -0.21 1.96 -0.73 0.00 0.00 179.01 178.91 1ggw h GLN 59 N -0.54 -0.39 -0.04 1.92 7.50 -1.48 0.21 115.11 122.29 1ggw h GLN 59 Ca -0.04 0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.40 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.02 1ggw h GLN 59 CO 0.06 -0.26 0.02 0.35 -1.50 0.00 0.00 178.83 177.51 1ggw h PHE 60 N -0.40 0.05 0.00 2.96 3.57 -0.83 -2.46 116.94 119.83 1ggw h PHE 60 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ggw h PHE 60 Cb 0.42 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1ggw h PHE 60 CO -0.19 0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.82 1ggw h LEU 61 N 0.01 0.00 -0.12 0.59 3.38 -0.92 -0.89 115.31 117.36 1ggw h LEU 61 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ggw h LEU 61 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ggw h LEU 61 CO -0.00 0.08 0.02 1.56 0.09 0.00 0.00 178.44 180.19 1ggw h GLN 62 N 0.00 0.21 -0.19 1.13 1.08 -0.11 0.36 115.11 117.58 1ggw h GLN 62 Ca -0.00 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 1ggw h GLN 62 Cb 0.15 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ggw h GLN 62 CO 0.01 0.41 -0.54 -0.39 -0.95 0.00 0.00 178.83 177.37 1ggw h VAL 63 N -0.02 1.31 0.46 -0.54 -1.51 -1.23 -3.17 116.25 111.55 1ggw h VAL 63 Ca 0.04 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.72 1ggw h VAL 63 Cb 0.30 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1ggw h VAL 63 CO 0.00 0.55 -0.22 0.25 -1.23 0.00 0.00 177.57 176.93 1ggw h LEU 64 N 0.40 -0.52 -5.39 4.19 5.85 -1.18 -3.30 115.31 115.36 1ggw h LEU 64 Ca -0.01 -0.08 -0.69 0.00 0.84 0.00 0.00 57.88 57.94 1ggw h LEU 64 Cb 1.16 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 1ggw h LEU 64 CO 0.12 -0.12 2.24 0.59 -0.34 0.00 0.00 178.44 180.93 1ggw n ASN 65 N -5.21 7.86 0.13 1.25 3.02 0.12 -4.72 115.26 117.71 1ggw n ASN 65 Ca -0.10 -3.07 -0.14 0.00 -0.03 0.00 0.00 54.58 51.24 1ggw n ASN 65 Cb 0.29 -1.37 -0.08 0.00 -0.61 0.00 0.00 39.78 38.02 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ggw h ARG 66 N 4.39 -0.23 -0.82 3.52 2.47 -1.63 -2.75 114.38 119.33 1ggw h ARG 66 Ca 0.67 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.41 1ggw h ARG 66 Cb 0.38 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1ggw h ARG 66 CO 1.40 -0.14 0.00 -0.35 0.56 0.00 0.00 179.97 181.44 1ggw n PRO 67 N -5.19 1.80 -2.37 0.04 -0.04 -1.26 -4.97 135.00 123.01 1ggw n PRO 67 Ca -0.09 -0.68 -0.02 0.00 -0.04 0.00 0.00 63.50 62.67 1ggw n PRO 67 Cb 0.12 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.12 -5.22 0.00 3.54 2.85 -1.04 -4.99 115.26 110.52 1ggw n ASN 68 Ca 0.06 1.53 0.00 0.00 -0.11 0.00 0.00 54.58 56.06 1ggw n ASN 68 Cb 0.42 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.48 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 1.66 1.24 4.00 8.20 0.00 -1.26 -5.03 105.19 114.00 1ggw n GLY 69 Ca -0.18 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.60 2.47 -1.07 1.61 0.08 -1.26 -4.56 117.98 113.65 1ggw s PHE 70 Ca 0.00 -0.49 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1ggw s PHE 70 Cb 0.00 -2.32 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 1ggw s PHE 70 CO 0.00 -0.56 0.89 -3.47 -0.10 0.00 0.00 175.22 171.98 1ggw n ASP 71 N -1.91 -6.35 0.01 1.36 2.03 -1.26 -4.79 116.55 105.63 1ggw n ASP 71 Ca 0.09 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1ggw n ASP 71 Cb 0.60 -4.76 0.00 0.00 -0.72 0.00 0.00 41.12 36.24 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1ggw n MET 72 N -3.44 0.00 -0.30 -0.67 1.56 -1.26 -5.00 117.12 108.01 1ggw n MET 72 Ca -0.07 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.50 1ggw n MET 72 Cb 0.61 0.00 0.32 0.00 2.15 0.00 0.00 33.22 36.30 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 0.22 0.00 2.12 0.11 -1.85 -3.45 132.00 129.15 1ggw h PRO 73 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ggw h PRO 73 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1ggw h PRO 73 CO 0.00 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.34 1ggw n GLY 74 N -1.37 0.19 3.88 -0.55 0.00 -1.26 -5.00 105.19 101.08 1ggw n GLY 74 Ca 0.23 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 6.09 0.28 1.61 1.11 -1.26 -4.96 116.67 119.54 1ggw s ASP 75 Ca 0.00 1.30 -0.00 0.00 0.18 0.00 0.00 52.55 54.03 1ggw s ASP 75 Cb 0.00 -2.34 0.49 0.00 1.07 0.00 0.00 42.92 42.14 1ggw s ASP 75 CO 0.00 -0.92 1.86 -0.65 1.18 0.00 0.00 175.17 176.64 1ggw h PRO 76 N -0.31 1.05 -0.08 8.23 0.11 -2.00 -1.26 132.00 137.72 1ggw h PRO 76 Ca -0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1ggw h PRO 76 Cb 1.20 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ggw h PRO 76 CO 0.62 0.69 -0.25 1.49 -0.21 0.00 0.00 178.00 180.34 1ggw h GLU 77 N 1.08 0.14 -0.32 1.05 4.81 -1.96 -2.22 114.58 117.15 1ggw h GLU 77 Ca 0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1ggw h GLU 77 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ggw h GLU 77 CO -0.22 0.39 0.09 1.49 -0.73 0.00 0.00 179.01 180.02 1ggw h GLU 78 N 0.13 0.50 -0.35 1.92 4.57 -1.60 -0.75 114.58 118.99 1ggw h GLU 78 Ca 0.02 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 1ggw h GLU 78 Cb 0.52 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1ggw h GLU 78 CO 0.04 0.55 -0.33 0.27 -1.18 0.00 0.00 179.01 178.36 1ggw h PHE 79 N 0.36 0.91 -0.46 0.92 -5.15 -1.37 -2.44 116.94 109.70 1ggw h PHE 79 Ca 0.10 -0.25 -0.04 0.00 -0.20 0.00 0.00 57.97 57.58 1ggw h PHE 79 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 35.95 36.22 1ggw h PHE 79 CO 0.01 1.00 0.13 0.28 -2.00 0.00 0.00 178.31 177.73 1ggw h VAL 80 N 0.65 1.23 -0.33 0.88 2.07 -1.27 -1.81 116.25 117.68 1ggw h VAL 80 Ca 0.07 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1ggw h VAL 80 Cb 0.87 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1ggw h VAL 80 CO 0.08 0.28 -0.11 0.11 0.02 0.00 0.00 177.57 177.95 1ggw h LYS 81 N 0.62 0.56 -0.20 1.57 6.56 -1.09 0.22 116.57 124.81 1ggw h LYS 81 Ca 0.15 -0.16 -0.11 0.00 -1.06 0.00 0.00 60.65 59.46 1ggw h LYS 81 Cb 0.30 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1ggw h LYS 81 CO -0.00 0.67 -0.30 0.78 -2.06 0.00 0.00 179.45 178.54 1ggw h GLY 82 N 0.94 0.61 1.29 3.86 0.00 -1.24 -3.30 103.07 105.23 1ggw h GLY 82 Ca 0.09 -0.68 -0.27 0.00 0.00 0.00 0.00 47.33 46.48 1ggw h GLY 82 CO 0.03 0.61 -1.08 0.74 0.00 0.00 0.00 176.54 176.84 1ggw h PHE 83 N 0.23 0.95 -0.29 5.60 -1.00 -1.26 -3.38 116.94 117.78 1ggw h PHE 83 Ca 0.02 -0.54 -0.67 0.00 2.81 0.00 0.00 57.97 59.58 1ggw h PHE 83 Cb 0.88 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.30 1ggw h PHE 83 CO 0.09 1.38 2.65 0.94 -1.61 0.00 0.00 178.31 181.76 1ggw n GLN 84 N -3.81 2.75 0.00 1.51 7.27 0.76 -4.15 117.38 121.71 1ggw n GLN 84 Ca -0.11 -2.73 0.00 0.00 0.07 0.00 0.00 57.00 54.24 1ggw n GLN 84 Cb 0.91 -3.34 0.00 0.00 2.41 0.00 0.00 30.24 30.21 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 5.75 0.00 -2.60 1.69 3.14 -1.26 -4.82 118.33 120.22 1ggw n VAL 85 Ca 0.50 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.82 1ggw n VAL 85 Cb 0.42 -0.58 0.04 0.00 -1.06 0.00 0.00 33.84 32.65 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 -2.34 1.65 -2.81 1.45 3.01 -1.26 -4.92 117.46 112.24 1ggw n PHE 86 Ca 0.00 -2.14 -0.34 0.00 1.01 0.00 0.00 57.45 55.98 1ggw n PHE 86 Cb 0.20 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.62 5.91 -0.13 4.37 8.00 -1.26 -4.79 116.55 128.03 1ggw n ASP 87 Ca 0.17 -3.68 -0.12 0.00 0.71 0.00 0.00 54.79 51.88 1ggw n ASP 87 Cb 0.85 -0.88 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 3.68 0.95 0.00 -1.24 1.63 -1.98 -3.43 116.57 116.18 1ggw h LYS 88 Ca 0.33 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1ggw h LYS 88 Cb 0.42 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1ggw h LYS 88 CO 1.01 1.12 0.00 -3.47 -3.45 0.00 0.00 179.45 174.65 1ggw n ASP 89 N -4.08 0.43 0.00 4.20 -0.08 -1.26 -5.04 116.55 110.72 1ggw n ASP 89 Ca -0.01 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1ggw n ASP 89 Cb 0.50 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.88 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 -3.02 0.00 -4.30 -1.67 0.00 -1.26 -4.80 120.51 105.46 1ggw n ALA 90 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ggw n ALA 90 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 -1.12 0.00 0.00 5.66 -1.26 -3.94 114.28 113.62 1ggw n THR 91 Ca 0.00 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1ggw n THR 91 Cb 0.00 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 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 -1.89 0.70 3.65 1.09 0.00 -1.26 -5.15 105.19 102.32 1ggw n GLY 92 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1ggw n GLY 92 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ggw s MET 93 N 0.00 0.13 -0.21 1.61 0.23 -1.25 -4.40 119.30 115.40 1ggw s MET 93 Ca 0.00 0.18 -0.03 0.00 -1.03 0.00 0.00 55.69 54.82 1ggw s MET 93 Cb 0.00 0.05 -0.12 0.00 -1.53 0.00 0.00 34.83 33.23 1ggw s MET 93 CO 0.00 -0.02 -0.22 1.51 -2.03 0.00 0.00 175.02 174.26 1ggw n ILE 94 N 2.30 1.21 -2.49 3.16 0.00 -1.26 -4.76 119.36 117.52 1ggw n ILE 94 Ca -0.13 -0.41 -0.06 0.00 0.00 0.00 0.00 62.75 62.15 1ggw n ILE 94 Cb 0.57 -1.43 0.01 0.00 0.00 0.00 0.00 39.64 38.79 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 2.20 -1.30 0.44 4.50 0.00 -1.17 -4.69 105.19 105.17 1ggw n GLY 95 Ca -0.39 0.88 0.32 0.00 0.00 0.00 0.00 46.02 46.82 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 1.52 0.24 -1.03 1.61 2.07 0.16 0.15 116.25 120.97 1ggw h VAL 96 Ca 0.00 -0.06 0.26 0.00 0.82 0.00 0.00 66.70 67.72 1ggw h VAL 96 Cb 0.70 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 1ggw h VAL 96 CO 0.14 0.03 0.63 1.23 0.02 0.00 0.00 177.57 179.62 1ggw h GLY 97 N 0.18 1.67 0.30 2.17 0.00 -1.66 0.56 103.07 106.27 1ggw h GLY 97 Ca 0.75 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ggw h GLY 97 CO -0.40 -0.23 -0.03 0.83 0.00 0.00 0.00 176.54 176.71 1ggw h GLU 98 N 0.49 -0.09 -0.88 4.80 5.08 -0.98 -1.02 114.58 121.98 1ggw h GLU 98 Ca 0.64 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 59.08 1ggw h GLU 98 Cb 1.39 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 1ggw h GLU 98 CO -0.42 0.49 0.57 1.37 -1.00 0.00 0.00 179.01 180.02 1ggw h LEU 99 N -0.80 0.86 -0.14 1.33 8.10 -1.29 -2.14 115.31 121.22 1ggw h LEU 99 Ca -0.01 0.01 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 1ggw h LEU 99 Cb 0.62 -0.17 0.01 0.00 -0.44 0.00 0.00 40.66 40.67 1ggw h LEU 99 CO 0.02 0.54 -0.70 -0.09 -4.11 0.00 0.00 178.44 174.09 1ggw h ARG 100 N 0.97 0.72 -0.86 0.17 1.12 0.01 -2.75 114.38 113.76 1ggw h ARG 100 Ca 0.39 -0.59 0.13 0.00 -1.11 0.00 0.00 59.98 58.79 1ggw h ARG 100 Cb 0.24 0.12 -0.09 0.00 -0.01 0.00 0.00 29.97 30.24 1ggw h ARG 100 CO -0.15 1.20 0.48 -0.92 -3.11 0.00 0.00 179.97 177.47 1ggw h TYR 101 N 0.42 0.85 0.02 2.20 3.20 -0.53 0.24 116.97 123.38 1ggw h TYR 101 Ca -0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ggw h TYR 101 Cb 1.34 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1ggw h TYR 101 CO 0.10 0.27 -0.01 0.28 -1.64 0.00 0.00 178.16 177.16 1ggw h VAL 102 N 0.73 1.44 -0.47 1.81 2.07 -1.51 -2.62 116.25 117.70 1ggw h VAL 102 Ca 0.45 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1ggw h VAL 102 Cb 0.54 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1ggw h VAL 102 CO -0.31 0.40 0.27 -0.07 0.02 0.00 0.00 177.57 177.88 1ggw h LEU 103 N -0.74 0.43 -0.92 2.57 3.38 -1.20 -2.38 115.31 116.45 1ggw h LEU 103 Ca -0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ggw h LEU 103 Cb 0.68 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1ggw h LEU 103 CO 0.01 0.31 -0.03 0.74 0.09 0.00 0.00 178.44 179.56 1ggw h THR 104 N 0.54 1.24 0.00 0.22 2.02 -0.64 -2.40 112.91 113.90 1ggw h THR 104 Ca 0.19 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1ggw h THR 104 Cb 0.03 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1ggw h THR 104 CO -0.09 0.36 -0.06 -1.28 0.37 0.00 0.00 175.52 174.82 1ggw h SER 105 N 0.71 0.00 0.00 4.18 0.87 -1.04 -1.59 113.55 116.68 1ggw h SER 105 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1ggw h SER 105 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1ggw h SER 105 CO 0.02 0.06 0.00 0.18 -0.53 0.00 0.00 176.83 176.56 1ggw n LEU 106 N -3.47 0.06 -2.69 2.23 4.77 -0.91 -4.77 117.00 112.22 1ggw n LEU 106 Ca -0.02 0.81 -0.07 0.00 -0.03 0.00 0.00 56.01 56.70 1ggw n LEU 106 Cb 0.18 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1ggw n LEU 106 CO 0.27 -0.47 0.37 0.61 -1.33 0.00 0.00 177.39 176.85 1ggw n GLY 107 N -0.02 1.44 3.37 -0.72 0.00 -1.23 -4.98 105.19 103.04 1ggw n GLY 107 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.56 -6.77 0.00 1.61 1.02 -0.60 -5.02 120.64 110.32 1ggw n GLU 108 Ca -0.01 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1ggw n GLU 108 Cb 0.84 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ggw n LYS 109 N -4.27 2.76 -1.91 3.49 0.00 -1.22 -4.61 118.16 112.40 1ggw n LYS 109 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 57.91 1ggw n LYS 109 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.57 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 2.59 0.00 3.14 4.77 -1.26 -4.80 117.00 121.43 1ggw n LEU 110 Ca 0.00 -2.97 -0.02 0.00 -0.03 0.00 0.00 56.01 52.98 1ggw n LEU 110 Cb 0.00 -1.73 0.02 0.00 -2.33 0.00 0.00 43.42 39.39 1ggw n LEU 110 CO 0.00 -2.34 0.04 -1.54 -1.33 0.00 0.00 177.39 172.21 1ggw n SER 111 N 15.90 -1.78 -0.17 -1.43 3.41 -1.26 -4.63 113.62 123.66 1ggw n SER 111 Ca 0.44 -0.24 0.21 0.00 -0.26 0.00 0.00 58.87 59.01 1ggw n SER 111 Cb 0.47 -0.08 0.60 0.00 -0.26 0.00 0.00 64.21 64.93 1ggw n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggw h ASN 112 N -1.77 0.23 -0.08 4.04 7.08 -1.93 -2.07 115.58 121.07 1ggw h ASN 112 Ca -0.03 0.02 0.02 0.00 -3.08 0.00 0.00 56.30 53.23 1ggw h ASN 112 Cb 0.10 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.30 1ggw h ASN 112 CO 0.02 0.10 -0.06 -0.08 -2.08 0.00 0.00 177.43 175.33 1ggw h GLU 113 N 0.23 -0.07 0.18 4.14 4.22 -1.97 0.69 114.58 122.01 1ggw h GLU 113 Ca 0.40 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.86 1ggw h GLU 113 Cb 1.22 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1ggw h GLU 113 CO -0.09 -0.04 -0.25 1.49 -2.18 0.00 0.00 179.01 177.93 1ggw h GLU 114 N -0.07 -0.48 0.00 1.92 4.57 -1.65 -1.78 114.58 117.10 1ggw h GLU 114 Ca 0.06 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1ggw h GLU 114 Cb 0.15 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1ggw h GLU 114 CO -0.13 -0.32 -0.18 0.00 -1.18 0.00 0.00 179.01 177.20 1ggw h MET 115 N -0.50 0.00 -0.41 1.92 -0.00 -1.48 -2.78 114.93 111.68 1ggw h MET 115 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.74 1ggw h MET 115 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 1ggw h MET 115 CO -0.11 0.18 0.23 -0.44 -0.00 0.00 0.00 176.91 176.78 1ggw h ASP 116 N 0.00 0.37 -0.21 -0.10 5.19 0.13 0.65 116.42 122.45 1ggw h ASP 116 Ca -0.00 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1ggw h ASP 116 Cb 0.47 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1ggw h ASP 116 CO 0.02 0.27 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.00 1ggw h GLU 117 N 0.47 0.43 -0.95 3.56 5.08 -1.26 -0.94 114.58 120.97 1ggw h GLU 117 Ca 0.17 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ggw h GLU 117 Cb 0.03 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ggw h GLU 117 CO -0.09 0.69 0.62 1.37 -1.00 0.00 0.00 179.01 180.61 1ggw h LEU 118 N 0.14 1.09 -0.91 1.33 8.10 -1.22 -1.86 115.31 121.97 1ggw h LEU 118 Ca 0.05 -0.03 -0.11 0.00 0.11 0.00 0.00 57.88 57.90 1ggw h LEU 118 Cb 0.55 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.49 1ggw h LEU 118 CO 0.03 0.80 -0.45 -0.07 -4.11 0.00 0.00 178.44 174.63 1ggw h LEU 119 N 1.29 0.22 -0.84 0.17 3.38 0.41 -2.67 115.31 117.26 1ggw h LEU 119 Ca 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1ggw h LEU 119 Cb -0.14 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1ggw h LEU 119 CO -0.07 0.64 0.48 0.50 0.09 0.00 0.00 178.44 180.08 1ggw h LYS 120 N 0.17 1.16 -0.13 1.13 3.64 -0.34 -3.04 116.57 119.16 1ggw h LYS 120 Ca 0.01 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1ggw h LYS 120 Cb 0.86 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1ggw h LYS 120 CO 0.07 0.84 -0.15 0.78 -2.27 0.00 0.00 179.45 178.71 1ggw h GLY 121 N 1.17 0.37 -6.83 5.01 0.00 -1.31 -3.42 103.07 98.06 1ggw h GLY 121 Ca 0.30 -0.39 -0.63 0.00 0.00 0.00 0.00 47.33 46.62 1ggw h GLY 121 CO -0.05 0.35 0.09 0.14 0.00 0.00 0.00 176.54 177.07 1ggw s VAL 122 N -4.25 4.95 -1.01 4.60 1.01 -1.02 -4.97 120.40 119.71 1ggw s VAL 122 Ca -0.14 0.71 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 1ggw s VAL 122 Cb 0.05 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1ggw s VAL 122 CO 0.75 -0.17 2.15 -0.81 0.00 0.00 0.00 175.10 177.02 1ggw n PRO 123 N 5.86 2.14 -4.32 2.72 -0.04 -1.26 -4.73 135.00 135.37 1ggw n PRO 123 Ca -0.02 -1.83 -0.24 0.00 -0.04 0.00 0.00 63.50 61.37 1ggw n PRO 123 Cb 0.49 -2.77 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 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 4.92 0.00 -5.15 0.52 0.24 -1.26 -5.14 118.33 112.47 1ggw n VAL 124 Ca 0.51 -2.31 -0.32 0.00 -2.04 0.00 0.00 64.34 60.18 1ggw n VAL 124 Cb 0.28 0.85 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 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 -3.50 2.88 0.00 7.34 -0.14 -1.26 -4.59 119.74 120.46 1ggw s LYS 125 Ca 0.21 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1ggw s LYS 125 Cb 0.01 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1ggw s LYS 125 CO 0.15 0.29 0.00 -0.25 -0.76 0.00 0.00 175.35 174.78 1ggw n ASP 126 N 3.22 -2.69 -2.15 2.83 8.00 -1.26 -3.54 116.55 120.95 1ggw n ASP 126 Ca -0.18 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.25 1ggw n ASP 126 Cb 0.52 -1.57 0.04 0.00 -0.02 0.00 0.00 41.12 40.09 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 -1.50 0.05 3.43 0.44 0.00 -1.26 -0.34 105.19 106.00 1ggw n GLY 127 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.28 3.59 0.00 1.61 0.00 -1.23 -0.68 119.30 118.31 1ggw s MET 128 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 55.69 55.25 1ggw s MET 128 Cb -0.01 -3.30 0.02 0.00 0.00 0.00 0.00 34.83 31.54 1ggw s MET 128 CO 0.33 -0.21 0.95 0.28 0.00 0.00 0.00 175.02 176.37 1ggw n VAL 129 N 4.91 0.00 -1.76 10.11 0.31 -1.26 -4.81 118.33 125.83 1ggw n VAL 129 Ca -0.16 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 1ggw n VAL 129 Cb 0.51 0.47 -0.07 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 0.02 -5.50 -0.36 4.52 5.15 -1.26 -4.57 115.26 113.26 1ggw n ASN 130 Ca 0.00 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1ggw n ASN 130 Cb 0.70 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 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 -2.70 -1.26 0.00 1.20 9.36 -1.26 -4.75 117.16 117.75 1ggw n TYR 131 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 1ggw n TYR 131 Cb 0.68 0.20 0.00 0.00 -0.63 0.00 0.00 39.34 39.58 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 -0.73 0.00 -0.35 2.98 8.25 -1.26 -4.41 115.22 119.70 1ggw n HIS 132 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1ggw n HIS 132 Cb 0.00 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.41 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 0.83 0.17 0.41 3.58 -1.85 0.53 116.42 120.08 1ggw h ASP 133 Ca 0.00 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1ggw h ASP 133 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ggw h ASP 133 CO 0.00 0.36 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.38 1ggw h PHE 134 N 0.84 -0.21 -0.07 0.28 0.04 -1.92 -2.75 116.94 113.16 1ggw h PHE 134 Ca 0.54 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.29 1ggw h PHE 134 Cb 0.74 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1ggw h PHE 134 CO -0.00 0.17 -0.04 0.28 -0.60 0.00 0.00 178.31 178.11 1ggw h VAL 135 N -0.63 1.08 0.37 -0.55 2.07 -1.76 -0.98 116.25 115.85 1ggw h VAL 135 Ca -0.02 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1ggw h VAL 135 Cb 0.46 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1ggw h VAL 135 CO 0.04 0.10 -0.18 -0.61 0.02 0.00 0.00 177.57 176.94 1ggw h GLN 136 N 0.10 -0.48 -0.27 1.57 4.15 0.12 0.24 115.11 120.54 1ggw h GLN 136 Ca 0.02 0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 1ggw h GLN 136 Cb 0.14 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1ggw h GLN 136 CO 0.01 -0.25 -0.24 1.98 -1.93 0.00 0.00 178.83 178.40 1ggw h MET 137 N -0.62 0.51 -0.60 1.69 4.05 -1.28 -2.97 114.93 115.71 1ggw h MET 137 Ca -0.05 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 1ggw h MET 137 Cb 0.45 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1ggw h MET 137 CO 0.08 0.71 0.08 0.82 0.23 0.00 0.00 176.91 178.84 1ggw h ILE 138 N 0.45 1.26 -1.55 1.77 2.04 -1.07 -3.05 117.51 117.37 1ggw h ILE 138 Ca 0.07 -1.02 -0.70 0.00 1.00 0.00 0.00 64.86 64.22 1ggw h ILE 138 Cb 0.66 0.76 -0.26 0.00 -0.74 0.00 0.00 36.82 37.24 1ggw h ILE 138 CO 0.05 0.37 0.92 0.18 0.00 0.00 0.00 178.15 179.67 1ggw n LEU 139 N -4.29 7.43 -2.56 1.44 4.32 0.06 -4.62 117.00 118.79 1ggw n LEU 139 Ca 0.03 -4.53 -0.29 0.00 -0.02 0.00 0.00 56.01 51.20 1ggw n LEU 139 Cb 0.29 -1.06 0.01 0.00 -1.62 0.00 0.00 43.42 41.03 1ggw n LEU 139 CO 0.42 1.65 0.39 0.00 -1.22 0.00 0.00 177.39 178.63 1ggw n ALA 140 N -0.46 5.28 -0.24 -1.18 0.00 -1.15 -4.95 120.51 117.81 1ggw n ALA 140 Ca 0.55 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1ggw n ALA 140 Cb 0.40 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59