#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 5.16 -2.84 0.44 -1.04 -1.26 -4.73 114.28 110.02 1ggw n THR 3 Ca 0.00 -5.86 -0.20 0.00 -2.04 0.00 0.00 64.05 55.95 1ggw n THR 3 Cb 0.00 -1.80 0.03 0.00 -1.82 0.00 0.00 70.33 66.73 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ggw n ASP 4 N 0.57 -5.70 -2.84 8.00 2.03 -1.26 -4.95 116.55 112.40 1ggw n ASP 4 Ca 0.35 -0.22 -0.06 0.00 0.52 0.00 0.00 54.79 55.39 1ggw n ASP 4 Cb 0.32 -4.56 -0.00 0.00 -0.72 0.00 0.00 41.12 36.15 1ggw n ASP 4 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ggw s ASP 5 N -2.62 -1.21 0.07 1.67 -1.08 -1.26 -5.03 116.67 107.20 1ggw s ASP 5 Ca 0.22 -1.78 -0.19 0.00 -0.52 0.00 0.00 52.55 50.29 1ggw s ASP 5 Cb -0.10 1.71 -0.11 0.00 -1.46 0.00 0.00 42.92 42.96 1ggw s ASP 5 CO 0.28 -0.07 1.42 -1.28 0.52 0.00 0.00 175.17 176.04 1ggw h SER 6 N 5.20 0.46 1.93 -0.34 0.87 -1.95 0.89 113.55 120.61 1ggw h SER 6 Ca 0.08 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1ggw h SER 6 Cb 1.10 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1ggw h SER 6 CO 0.04 0.78 -0.06 1.55 -0.53 0.00 0.00 176.83 178.62 1ggw h PRO 7 N 0.14 0.00 0.00 2.24 0.13 -1.95 0.23 132.00 132.79 1ggw h PRO 7 Ca 0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1ggw h PRO 7 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1ggw h PRO 7 CO 0.03 0.06 -0.79 0.66 -0.23 0.00 0.00 178.00 177.72 1ggw n TYR 8 N -3.11 0.00 0.10 1.56 4.01 -1.24 -4.35 117.16 114.13 1ggw n TYR 8 Ca 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.73 1ggw n TYR 8 Cb 0.55 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.71 -0.31 -0.19 -0.72 3.64 -1.50 -2.07 116.57 114.71 1ggw h LYS 9 Ca -0.03 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1ggw h LYS 9 Cb 0.76 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1ggw h LYS 9 CO -0.02 -0.21 0.03 0.37 -2.27 0.00 0.00 179.45 177.35 1ggw h GLN 10 N -0.76 0.10 -0.84 1.90 -0.00 -0.92 -2.38 115.11 112.21 1ggw h GLN 10 Ca -0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1ggw h GLN 10 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.66 1ggw h GLN 10 CO 0.05 0.06 0.56 0.00 0.00 0.00 0.00 178.83 179.50 1ggw h ALA 11 N 1.15 1.42 -0.62 3.38 0.00 -0.69 -2.28 119.26 121.62 1ggw h ALA 11 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ggw h ALA 11 Cb 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1ggw h ALA 11 CO -0.13 0.52 0.38 0.35 0.00 0.00 0.00 179.25 180.38 1ggw h PHE 12 N 1.11 0.71 -0.47 0.00 3.04 -0.87 -1.72 116.94 118.73 1ggw h PHE 12 Ca 0.32 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 1ggw h PHE 12 Cb -0.09 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1ggw h PHE 12 CO -0.00 0.40 0.20 0.77 -2.02 0.00 0.00 178.31 177.66 1ggw h SER 13 N 0.74 0.60 -0.79 0.41 0.02 -1.03 -2.33 113.55 111.17 1ggw h SER 13 Ca 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1ggw h SER 13 Cb 0.04 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1ggw h SER 13 CO -0.11 0.54 0.40 -0.07 -1.14 0.00 0.00 176.83 176.45 1ggw h LEU 14 N 0.67 1.02 -3.33 5.07 3.38 -0.96 -2.43 115.31 118.73 1ggw h LEU 14 Ca 0.16 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1ggw h LEU 14 Cb 0.11 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1ggw h LEU 14 CO -0.02 0.85 0.17 0.49 0.09 0.00 0.00 178.44 180.01 1ggw n PHE 15 N -4.33 2.03 -2.37 1.13 3.01 -0.91 -4.96 117.46 111.05 1ggw n PHE 15 Ca 0.08 -0.92 -0.42 0.00 1.01 0.00 0.00 57.45 57.20 1ggw n PHE 15 Cb 0.12 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.99 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ggw s ASP 16 N -0.74 7.04 0.11 4.37 -1.08 -0.92 -4.84 116.67 120.60 1ggw s ASP 16 Ca 0.47 2.10 -0.32 0.00 -0.52 0.00 0.00 52.55 54.29 1ggw s ASP 16 Cb 0.37 -2.58 -0.11 0.00 -1.46 0.00 0.00 42.92 39.14 1ggw s ASP 16 CO 0.12 -0.49 1.58 -0.09 0.52 0.00 0.00 175.17 176.82 1ggw h ARG 17 N 6.56 -0.66 0.00 4.34 9.65 -1.90 -3.33 114.38 129.04 1ggw h ARG 17 Ca -0.42 0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.45 1ggw h ARG 17 Cb 1.21 0.15 -0.12 0.00 -1.39 0.00 0.00 29.97 29.82 1ggw h ARG 17 CO 0.81 -0.44 -0.58 0.72 2.80 0.00 0.00 179.97 183.28 1ggw n HIS 18 N -5.47 0.00 -2.36 2.20 8.25 -1.26 -4.99 115.22 111.58 1ggw n HIS 18 Ca -0.08 -0.52 -0.15 0.00 -0.26 0.00 0.00 57.72 56.71 1ggw n HIS 18 Cb 0.39 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.24 -0.25 0.08 -1.41 0.00 -1.25 -4.91 105.19 97.22 1ggw n GLY 19 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.04 1.21 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.57 1ggw n THR 20 Ca -0.17 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1ggw n THR 20 Cb 0.63 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.55 1.46 3.28 3.38 0.00 -1.26 -5.14 105.19 108.46 1ggw n GLY 21 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 1.14 -0.11 1.61 3.00 -1.26 -3.42 118.95 119.90 1ggw s ARG 22 Ca 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 55.73 54.16 1ggw s ARG 22 Cb 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 34.95 34.26 1ggw s ARG 22 CO 0.00 0.08 0.27 0.96 0.00 0.00 0.00 175.30 176.61 1ggw s ILE 23 N -3.26 -0.02 0.65 1.52 -4.36 -1.02 -3.26 121.20 111.45 1ggw s ILE 23 Ca 0.19 0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.61 1ggw s ILE 23 Cb 0.02 -0.39 0.07 0.00 1.25 0.00 0.00 42.46 43.40 1ggw s ILE 23 CO 0.02 0.02 0.93 -2.16 0.24 0.00 0.00 174.94 173.99 1ggw s PRO 24 N 0.64 2.20 0.35 0.37 0.04 -1.26 -2.30 135.00 135.03 1ggw s PRO 24 Ca -0.04 -0.61 0.16 0.00 0.04 0.00 0.00 61.00 60.55 1ggw s PRO 24 Cb -0.05 -2.31 1.16 0.00 0.04 0.00 0.00 34.50 33.33 1ggw s PRO 24 CO -0.04 -1.10 1.63 1.57 0.04 0.00 0.00 177.00 179.10 1ggw h LYS 25 N -0.36 0.20 -0.74 4.56 2.10 -1.93 0.29 116.57 120.69 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 1.30 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.55 1ggw h LYS 25 CO 0.53 0.13 0.49 1.79 -2.00 0.00 0.00 179.45 180.39 1ggw h THR 26 N 0.20 1.18 0.13 0.07 1.35 -1.96 -2.06 112.91 111.82 1ggw h THR 26 Ca 0.77 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 66.28 1ggw h THR 26 Cb 1.85 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1ggw h THR 26 CO -0.67 0.18 -0.06 -1.28 -0.25 0.00 0.00 175.52 173.44 1ggw h SER 27 N 0.99 -0.15 -0.98 5.36 0.87 -0.80 -3.25 113.55 115.59 1ggw h SER 27 Ca 0.27 -0.38 0.21 0.00 -1.23 0.00 0.00 61.79 60.66 1ggw h SER 27 Cb -0.10 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 61.81 1ggw h SER 27 CO -0.07 0.35 0.62 0.40 -0.53 0.00 0.00 176.83 177.61 1ggw h ILE 28 N -0.72 0.66 0.04 2.23 1.08 -1.26 0.22 117.51 119.76 1ggw h ILE 28 Ca -0.02 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ggw h ILE 28 Cb 0.52 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1ggw h ILE 28 CO 0.03 0.10 -0.05 1.23 -0.69 0.00 0.00 178.15 178.77 1ggw h GLY 29 N 0.56 -0.84 2.00 5.37 0.00 -1.41 0.23 103.07 108.98 1ggw h GLY 29 Ca 0.54 0.37 -0.05 0.00 0.00 0.00 0.00 47.33 48.19 1ggw h GLY 29 CO -0.29 -0.31 -0.22 1.29 0.00 0.00 0.00 176.54 177.01 1ggw h ASP 30 N -0.09 0.00 0.07 0.19 3.04 -1.60 -2.73 116.42 115.31 1ggw h ASP 30 Ca -0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1ggw h ASP 30 CO -0.01 0.22 -0.03 0.25 -2.04 0.00 0.00 179.24 177.63 1ggw h LEU 31 N 0.00 -0.08 -1.82 0.15 5.85 -0.38 -2.68 115.31 116.35 1ggw h LEU 31 Ca -0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ggw h LEU 31 Cb 0.43 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1ggw h LEU 31 CO 0.03 0.10 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.12 1ggw h LEU 32 N -0.25 0.05 -1.46 2.25 3.38 -0.38 -2.03 115.31 116.87 1ggw h LEU 32 Ca -0.01 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1ggw h LEU 32 Cb 0.22 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1ggw h LEU 32 CO 0.02 0.10 0.47 -0.09 0.09 0.00 0.00 178.44 179.03 1ggw h ARG 33 N 0.06 0.59 -0.08 1.13 2.43 -1.01 0.49 114.38 117.98 1ggw h ARG 33 Ca 0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ggw h ARG 33 Cb 0.12 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ggw h ARG 33 CO 0.01 0.39 -0.03 0.00 -1.51 0.00 0.00 179.97 178.83 1ggw h ALA 34 N 1.64 1.81 0.06 2.80 0.00 -1.33 -3.07 119.26 121.17 1ggw h ALA 34 Ca 0.33 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.89 1ggw h ALA 34 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ggw h ALA 34 CO -0.11 0.15 -1.48 0.00 0.00 0.00 0.00 179.25 177.80 1ggw n GLY 36 N 1.67 0.29 3.41 0.00 0.00 -0.01 -5.12 105.19 105.44 1ggw n GLY 36 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 1.74 -0.24 1.61 -0.21 -1.24 -4.75 119.66 116.57 1ggw s GLN 37 Ca 0.00 -2.02 0.02 0.00 0.02 0.00 0.00 55.36 53.38 1ggw s GLN 37 Cb 0.00 -0.33 0.05 0.00 1.00 0.00 0.00 33.01 33.73 1ggw s GLN 37 CO 0.00 -0.46 -0.13 1.21 -2.12 0.00 0.00 175.29 173.80 1ggw s ASN 38 N -3.47 4.10 0.27 5.90 3.04 -1.26 -1.85 114.94 121.66 1ggw s ASN 38 Ca 0.32 -1.17 0.00 0.00 0.04 0.00 0.00 52.86 52.05 1ggw s ASN 38 Cb 0.04 -1.54 0.00 0.00 -1.54 0.00 0.00 41.25 38.21 1ggw s ASN 38 CO 0.17 -0.14 0.00 -0.81 -3.04 0.00 0.00 177.10 173.28 1ggw n PRO 39 N 4.50 0.87 -3.08 0.43 -0.04 -1.26 -5.03 135.00 131.40 1ggw n PRO 39 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 1ggw n PRO 39 Cb 0.44 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.09 3.86 0.36 0.52 -4.23 -1.26 -4.96 115.64 109.83 1ggw s THR 40 Ca 0.00 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 1ggw s THR 40 Cb 0.00 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.77 1ggw s THR 40 CO 0.00 -0.24 1.87 -0.07 -0.54 0.00 0.00 174.62 175.63 1ggw h LEU 41 N 0.50 0.64 -1.36 4.79 -0.00 -1.99 0.66 115.31 118.55 1ggw h LEU 41 Ca -0.45 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.52 1ggw h LEU 41 Cb 1.26 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.55 0.32 0.47 0.00 -0.00 0.00 0.00 178.44 179.78 1ggw h ALA 42 N 1.60 1.65 0.21 1.53 0.00 -1.98 0.11 119.26 122.37 1ggw h ALA 42 Ca 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ggw h ALA 42 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ggw h ALA 42 CO -0.21 0.26 -0.10 1.49 0.00 0.00 0.00 179.25 180.69 1ggw h GLU 43 N 0.81 -0.27 -0.24 0.00 4.22 -1.25 -0.94 114.58 116.90 1ggw h GLU 43 Ca 0.30 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1ggw h GLU 43 Cb 0.16 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ggw h GLU 43 CO -0.09 0.12 0.15 -0.84 -2.18 0.00 0.00 179.01 176.17 1ggw h ILE 44 N -0.76 1.06 -0.87 2.32 -2.65 -1.25 -1.62 117.51 113.73 1ggw h ILE 44 Ca -0.03 -0.11 0.02 0.00 1.03 0.00 0.00 64.86 65.78 1ggw h ILE 44 Cb 0.51 0.71 -0.05 0.00 -2.05 0.00 0.00 36.82 35.94 1ggw h ILE 44 CO 0.05 0.06 0.58 0.74 0.03 0.00 0.00 178.15 179.60 1ggw h THR 45 N 0.32 1.18 -0.83 0.16 2.02 -0.87 -1.57 112.91 113.31 1ggw h THR 45 Ca 0.09 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1ggw h THR 45 Cb -0.03 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.29 1ggw h THR 45 CO -0.02 0.21 0.55 -0.08 0.37 0.00 0.00 175.52 176.54 1ggw h GLU 46 N 1.13 1.06 -0.07 6.66 4.57 -0.51 -1.31 114.58 126.11 1ggw h GLU 46 Ca 0.34 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1ggw h GLU 46 Cb -0.04 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.31 1ggw h GLU 46 CO -0.09 0.70 0.03 0.82 -1.18 0.00 0.00 179.01 179.29 1ggw h ILE 47 N 1.10 1.15 -0.18 2.32 2.04 -0.40 -2.48 117.51 121.06 1ggw h ILE 47 Ca 0.32 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1ggw h ILE 47 Cb -0.08 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ggw h ILE 47 CO -0.09 0.13 0.17 -0.33 0.00 0.00 0.00 178.15 178.03 1ggw h GLU 48 N -0.05 0.00 0.00 2.37 5.08 -0.92 -1.52 114.58 119.53 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ggw h GLU 48 CO -0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 1ggw n SER 49 N -4.00 0.35 -0.09 1.42 2.88 -0.53 -2.16 113.62 111.49 1ggw n SER 49 Ca 0.01 0.63 0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1ggw n SER 49 Cb 0.30 -0.68 0.01 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.93 0.25 -4.10 2.46 -2.24 -0.57 -5.04 114.28 103.11 1ggw n THR 50 Ca 0.01 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1ggw n THR 50 Cb 0.09 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.37 2.37 0.21 3.22 1.43 -0.92 -5.12 118.68 119.50 1ggw s LEU 51 Ca 0.03 -0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1ggw s LEU 51 Cb 0.02 -0.07 -0.16 0.00 0.03 0.00 0.00 46.19 46.01 1ggw s LEU 51 CO 0.03 -0.35 0.43 -2.65 0.23 0.00 0.00 176.35 174.03 1ggw n PRO 52 N 0.78 0.00 -0.12 1.29 -0.02 -1.26 -4.77 135.00 130.90 1ggw n PRO 52 Ca -0.18 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.27 1ggw n PRO 52 Cb 0.58 -0.93 -0.03 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.14 -0.18 -2.68 3.55 0.00 -1.26 -3.84 120.51 115.96 1ggw n ALA 53 Ca 0.16 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1ggw n ALA 53 Cb 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 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 -5.01 4.24 -1.06 0.00 2.02 -1.26 -4.94 118.70 112.69 1ggw s GLU 54 Ca -0.03 0.45 -0.18 0.00 0.02 0.00 0.00 54.97 55.22 1ggw s GLU 54 Cb 0.03 -3.52 0.12 0.00 0.10 0.00 0.00 34.13 30.85 1ggw s GLU 54 CO 0.18 -0.06 1.35 0.08 0.02 0.00 0.00 175.26 176.82 1ggw s VAL 55 N 1.34 4.55 0.88 2.63 1.01 -0.97 -4.82 120.40 125.02 1ggw s VAL 55 Ca 0.25 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 1ggw s VAL 55 Cb -0.15 -4.93 0.17 0.00 0.00 0.00 0.00 36.38 31.47 1ggw s VAL 55 CO 0.10 -1.70 1.22 1.51 0.00 0.00 0.00 175.10 176.23 1ggw s ASP 56 N 3.81 3.57 0.31 3.32 -4.77 -1.26 -2.43 116.67 119.21 1ggw s ASP 56 Ca 0.41 0.14 0.03 0.00 -3.30 0.00 0.00 52.55 49.83 1ggw s ASP 56 Cb -0.02 -0.31 0.79 0.00 -1.09 0.00 0.00 42.92 42.29 1ggw s ASP 56 CO -0.05 -2.43 1.59 0.24 0.70 0.00 0.00 175.17 175.23 1ggw h MET 57 N -1.29 0.06 0.08 2.11 2.86 -1.94 0.93 114.93 117.74 1ggw h MET 57 Ca -0.42 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1ggw h MET 57 Cb 1.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.41 0.04 -0.04 1.49 1.06 0.00 0.00 176.91 179.87 1ggw h GLU 58 N 0.06 -0.10 0.12 1.72 4.81 -1.92 -1.00 114.58 118.28 1ggw h GLU 58 Ca 0.61 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.86 1ggw h GLU 58 Cb 1.29 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1ggw h GLU 58 CO -0.83 0.25 -0.21 1.96 -0.73 0.00 0.00 179.01 179.45 1ggw h GLN 59 N -0.46 -0.39 -0.06 1.92 7.50 -1.36 0.27 115.11 122.53 1ggw h GLN 59 Ca -0.01 0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1ggw h GLN 59 Cb 0.40 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1ggw h GLN 59 CO 0.02 -0.26 0.03 0.35 -1.50 0.00 0.00 178.83 177.47 1ggw h PHE 60 N -0.41 0.09 -0.31 2.96 3.57 -0.99 -2.75 116.94 119.11 1ggw h PHE 60 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ggw h PHE 60 Cb 0.42 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1ggw h PHE 60 CO -0.20 0.18 0.14 -0.07 -2.23 0.00 0.00 178.31 176.13 1ggw h LEU 61 N -0.03 0.38 0.05 0.59 3.38 -1.05 -1.14 115.31 117.48 1ggw h LEU 61 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ggw h LEU 61 Cb 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ggw h LEU 61 CO -0.00 0.33 -0.03 1.56 0.09 0.00 0.00 178.44 180.40 1ggw h GLN 62 N 0.43 -0.07 -0.25 1.13 1.08 -0.17 0.44 115.11 117.70 1ggw h GLN 62 Ca 0.11 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.15 1ggw h GLN 62 Cb 0.06 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1ggw h GLN 62 CO -0.01 0.02 -0.49 -0.39 -0.95 0.00 0.00 178.83 177.00 1ggw h VAL 63 N -0.14 1.30 -0.04 -0.54 -1.51 -1.27 -2.05 116.25 112.00 1ggw h VAL 63 Ca -0.01 -1.70 -0.18 0.00 -1.23 0.00 0.00 66.70 63.59 1ggw h VAL 63 Cb 0.12 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1ggw h VAL 63 CO 0.01 0.54 -0.75 0.25 -1.23 0.00 0.00 177.57 176.39 1ggw h LEU 64 N 0.54 0.33 -3.81 4.19 5.85 -1.12 -3.27 115.31 118.02 1ggw h LEU 64 Ca 0.02 -0.23 -0.57 0.00 0.84 0.00 0.00 57.88 57.94 1ggw h LEU 64 Cb 1.05 -0.10 -0.37 0.00 0.37 0.00 0.00 40.66 41.61 1ggw h LEU 64 CO 0.10 0.97 -0.22 0.59 -0.34 0.00 0.00 178.44 179.54 1ggw n ASN 65 N -3.78 5.73 0.30 1.25 3.02 0.15 -4.67 115.26 117.26 1ggw n ASN 65 Ca -0.04 -3.77 -0.17 0.00 -0.03 0.00 0.00 54.58 50.58 1ggw n ASN 65 Cb 0.72 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 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 2.06 -0.70 -0.84 3.52 3.08 -1.42 -2.84 114.38 117.24 1ggw h ARG 66 Ca 0.44 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1ggw h ARG 66 Cb 1.30 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1ggw h ARG 66 CO 1.02 -0.46 0.00 -0.35 -1.07 0.00 0.00 179.97 179.11 1ggw n PRO 67 N -5.40 2.50 -2.81 0.04 -0.04 -1.26 -4.93 135.00 123.09 1ggw n PRO 67 Ca -0.12 -1.21 -0.07 0.00 -0.04 0.00 0.00 63.50 62.06 1ggw n PRO 67 Cb 0.30 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.24 -7.74 0.00 3.54 4.13 -1.07 -5.00 115.26 109.36 1ggw n ASN 68 Ca 0.11 0.48 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1ggw n ASN 68 Cb 0.61 -5.24 0.00 0.00 -1.54 0.00 0.00 39.78 33.61 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 -0.40 -2.26 0.35 7.41 0.00 -1.26 -5.05 105.19 103.99 1ggw n GLY 69 Ca 0.11 -1.35 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N 1.59 0.00 -3.16 1.61 3.72 -1.26 -4.39 117.46 115.57 1ggw n PHE 70 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1ggw n PHE 70 Cb 0.00 -0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ggw s ASP 71 N -6.63 6.48 0.00 4.37 1.11 -1.26 -4.29 116.67 116.45 1ggw s ASP 71 Ca -0.27 -2.02 0.00 0.00 0.18 0.00 0.00 52.55 50.44 1ggw s ASP 71 Cb 0.09 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.80 1ggw s ASP 71 CO 0.35 -0.90 0.00 0.80 1.18 0.00 0.00 175.17 176.60 1ggw n MET 72 N 5.50 0.00 -0.30 8.23 1.56 -1.26 -5.02 117.12 125.83 1ggw n MET 72 Ca 0.05 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.55 1ggw n MET 72 Cb 0.45 0.00 0.16 0.00 2.15 0.00 0.00 33.22 35.98 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 -1.83 -3.46 132.00 128.97 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 -1.50 0.48 3.91 -0.55 0.00 -1.26 -5.02 105.19 101.24 1ggw n GLY 74 Ca 0.15 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.24 4.40 0.21 1.61 1.01 -1.26 -4.77 116.67 117.63 1ggw s ASP 75 Ca 0.00 0.68 -0.10 0.00 0.71 0.00 0.00 52.55 53.84 1ggw s ASP 75 Cb 0.00 -1.15 0.31 0.00 1.01 0.00 0.00 42.92 43.09 1ggw s ASP 75 CO 0.00 -1.95 1.68 -0.65 0.21 0.00 0.00 175.17 174.46 1ggw h PRO 76 N -1.06 0.18 0.00 8.23 0.11 -2.00 0.04 132.00 137.50 1ggw h PRO 76 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1ggw h PRO 76 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1ggw h PRO 76 CO 0.62 0.12 -0.40 0.93 -0.21 0.00 0.00 178.00 179.06 1ggw h GLU 77 N 0.19 0.00 -0.13 1.05 4.39 -1.95 -2.62 114.58 115.51 1ggw h GLU 77 Ca 0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1ggw h GLU 77 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ggw h GLU 77 CO -0.47 0.40 -0.04 1.49 -1.16 0.00 0.00 179.01 179.24 1ggw h GLU 78 N 0.00 0.26 -0.35 2.33 4.22 -1.39 -1.67 114.58 117.97 1ggw h GLU 78 Ca -0.00 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 59.22 1ggw h GLU 78 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1ggw h GLU 78 CO 0.05 0.56 -0.26 0.27 -2.18 0.00 0.00 179.01 177.45 1ggw h PHE 79 N -0.06 0.82 -0.35 0.92 -5.15 -1.25 -1.87 116.94 110.00 1ggw h PHE 79 Ca 0.03 -0.20 -0.02 0.00 -0.20 0.00 0.00 57.97 57.59 1ggw h PHE 79 Cb 0.47 -0.19 -0.02 0.00 0.22 0.00 0.00 35.95 36.43 1ggw h PHE 79 CO 0.06 0.90 0.16 0.28 -2.00 0.00 0.00 178.31 177.71 1ggw h VAL 80 N 0.62 1.17 -0.22 0.88 2.07 -1.43 -2.58 116.25 116.77 1ggw h VAL 80 Ca 0.08 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1ggw h VAL 80 Cb 0.76 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ggw h VAL 80 CO 0.06 0.18 -0.26 0.11 0.02 0.00 0.00 177.57 177.68 1ggw h LYS 81 N 0.43 0.41 -0.53 1.57 6.56 -1.23 -2.39 116.57 121.39 1ggw h LYS 81 Ca 0.12 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1ggw h LYS 81 Cb 0.14 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 1ggw h LYS 81 CO -0.01 0.65 0.35 0.78 -2.06 0.00 0.00 179.45 179.15 1ggw h GLY 82 N 1.02 0.76 1.65 3.86 0.00 -1.04 -2.48 103.07 106.84 1ggw h GLY 82 Ca 0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1ggw h GLY 82 CO 0.05 0.28 -0.48 0.74 0.00 0.00 0.00 176.54 177.13 1ggw h PHE 83 N 0.72 0.46 -0.26 5.60 -1.00 -1.36 -3.35 116.94 117.75 1ggw h PHE 83 Ca 0.19 -0.15 -0.69 0.00 2.81 0.00 0.00 57.97 60.14 1ggw h PHE 83 Cb -0.07 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 1ggw h PHE 83 CO -0.03 0.79 2.75 1.04 -1.61 0.00 0.00 178.31 181.24 1ggw n GLN 84 N -3.98 2.81 0.05 1.51 1.13 -0.91 -4.33 117.38 113.67 1ggw n GLN 84 Ca -0.02 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.31 1ggw n GLN 84 Cb 0.54 -3.34 0.00 0.00 0.11 0.00 0.00 30.24 27.56 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ggw n VAL 85 N 5.62 0.42 -1.24 5.09 0.31 -1.26 -4.86 118.33 122.40 1ggw n VAL 85 Ca 0.51 0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.83 1ggw n VAL 85 Cb 0.41 -0.90 0.21 0.00 -0.91 0.00 0.00 33.84 32.66 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ggw n PHE 86 N -3.08 2.38 -3.19 3.52 3.72 -1.26 -4.63 117.46 114.91 1ggw n PHE 86 Ca 0.00 -1.63 -0.24 0.00 -0.05 0.00 0.00 57.45 55.53 1ggw n PHE 86 Cb 0.00 -0.76 -0.07 0.00 -0.94 0.00 0.00 39.48 37.71 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 87 N -0.93 0.19 -0.17 4.37 2.03 -1.26 -4.93 116.55 115.84 1ggw n ASP 87 Ca 0.48 -2.69 -0.07 0.00 0.52 0.00 0.00 54.79 53.02 1ggw n ASP 87 Cb 1.43 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 41.21 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ggw h LYS 88 N 4.00 0.70 0.02 -0.67 1.79 -1.95 -3.26 116.57 117.19 1ggw h LYS 88 Ca 0.07 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1ggw h LYS 88 Cb 0.88 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1ggw h LYS 88 CO 0.46 0.52 -0.37 0.22 -1.08 0.00 0.00 179.45 179.20 1ggw h ASP 89 N 0.68 0.06 -5.95 0.86 1.82 -2.00 -3.49 116.42 108.40 1ggw h ASP 89 Ca 0.18 -0.90 -0.38 0.00 -0.39 0.00 0.00 57.03 55.54 1ggw h ASP 89 Cb 0.01 -0.02 0.11 0.00 0.68 0.00 0.00 39.33 40.10 1ggw h ASP 89 CO -0.03 1.15 -0.87 0.00 -1.61 0.00 0.00 179.24 177.88 1ggw n ALA 90 N -2.78 -2.30 -0.06 -0.78 0.00 -1.23 -4.96 120.51 108.40 1ggw n ALA 90 Ca -0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 1ggw n ALA 90 Cb 0.57 -3.59 -0.04 0.00 0.00 0.00 0.00 19.45 16.39 1ggw n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ggw h THR 91 N -1.68 0.41 0.00 0.00 2.02 -1.94 -3.46 112.91 108.25 1ggw h THR 91 Ca -0.63 -1.34 -0.18 0.00 0.77 0.00 0.00 66.41 65.03 1ggw h THR 91 Cb 1.35 0.80 -0.13 0.00 -1.74 0.00 0.00 68.15 68.43 1ggw h THR 91 CO 0.51 0.14 -0.19 0.61 0.37 0.00 0.00 175.52 176.95 1ggw n GLY 92 N 1.69 -0.14 3.45 2.16 0.00 -1.26 -5.12 105.19 105.97 1ggw n GLY 92 Ca -0.06 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 0.16 0.36 -0.10 1.61 0.23 -1.26 -4.04 119.30 116.25 1ggw s MET 93 Ca 0.20 0.90 -0.04 0.00 -1.03 0.00 0.00 55.69 55.71 1ggw s MET 93 Cb 0.28 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 34.09 1ggw s MET 93 CO -0.10 -0.14 0.06 -1.50 -2.03 0.00 0.00 175.02 171.31 1ggw s ILE 94 N 2.58 4.83 -0.94 3.16 -1.16 -1.26 -4.85 121.20 123.55 1ggw s ILE 94 Ca -0.03 -0.05 -0.06 0.00 -0.51 0.00 0.00 60.65 60.00 1ggw s ILE 94 Cb -0.08 -3.07 0.24 0.00 0.61 0.00 0.00 42.46 40.16 1ggw s ILE 94 CO -0.18 0.61 0.87 -0.83 -2.81 0.00 0.00 174.94 172.60 1ggw s GLY 95 N -0.89 3.02 0.46 1.50 0.00 -1.26 -2.84 107.32 107.31 1ggw s GLY 95 Ca 0.14 -3.71 0.34 0.00 0.00 0.00 0.00 44.72 41.48 1ggw s GLY 95 CO 0.03 1.25 1.62 -2.08 0.00 0.00 0.00 173.10 173.91 1ggw h VAL 96 N 4.14 0.10 -0.28 1.40 2.07 -1.42 0.25 116.25 122.51 1ggw h VAL 96 Ca 0.14 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1ggw h VAL 96 Cb 0.88 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1ggw h VAL 96 CO 0.89 0.01 -0.07 1.23 0.02 0.00 0.00 177.57 179.64 1ggw h GLY 97 N 0.06 0.20 1.61 2.17 0.00 -1.91 0.51 103.07 105.70 1ggw h GLY 97 Ca 0.84 0.09 -0.21 0.00 0.00 0.00 0.00 47.33 48.05 1ggw h GLY 97 CO -0.34 -0.11 -0.90 1.05 0.00 0.00 0.00 176.54 176.24 1ggw h GLU 98 N -0.00 0.36 -0.70 4.80 4.11 -0.92 -2.75 114.58 119.47 1ggw h GLU 98 Ca 0.13 -0.37 -0.04 0.00 0.07 0.00 0.00 59.36 59.15 1ggw h GLU 98 Cb 0.21 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1ggw h GLU 98 CO -0.29 1.05 0.30 1.37 0.07 0.00 0.00 179.01 181.51 1ggw h LEU 99 N 0.21 0.96 -0.14 3.06 8.10 -0.73 -2.59 115.31 124.18 1ggw h LEU 99 Ca -0.06 -0.16 -0.03 0.00 0.11 0.00 0.00 57.88 57.73 1ggw h LEU 99 Cb 1.53 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1ggw h LEU 99 CO 0.15 0.86 -0.03 -0.09 -4.11 0.00 0.00 178.44 175.21 1ggw h ARG 100 N 1.00 0.27 -0.59 0.17 1.12 -0.03 -2.77 114.38 113.54 1ggw h ARG 100 Ca 0.24 -0.10 0.11 0.00 -1.11 0.00 0.00 59.98 59.12 1ggw h ARG 100 Cb 0.19 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 30.05 1ggw h ARG 100 CO -0.02 0.55 0.11 -0.92 -3.11 0.00 0.00 179.97 176.59 1ggw h TYR 101 N -0.04 0.17 -0.05 2.20 3.20 -1.37 0.27 116.97 121.35 1ggw h TYR 101 Ca 0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ggw h TYR 101 Cb 0.46 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ggw h TYR 101 CO 0.05 -0.04 0.03 0.28 -1.64 0.00 0.00 178.16 176.84 1ggw h VAL 102 N 0.24 1.05 0.00 1.81 2.07 -1.46 -2.84 116.25 117.12 1ggw h VAL 102 Ca 0.31 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1ggw h VAL 102 Cb 0.46 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ggw h VAL 102 CO -0.41 0.04 -0.32 -0.07 0.02 0.00 0.00 177.57 176.84 1ggw h LEU 103 N 0.02 0.00 -0.57 2.57 3.38 -1.10 -3.06 115.31 116.55 1ggw h LEU 103 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ggw h LEU 103 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ggw h LEU 103 CO -0.00 0.32 0.08 0.74 0.09 0.00 0.00 178.44 179.66 1ggw h THR 104 N 0.00 1.26 0.00 0.22 2.02 -0.26 -2.51 112.91 113.64 1ggw h THR 104 Ca -0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1ggw h THR 104 Cb 0.64 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1ggw h THR 104 CO 0.04 0.36 0.00 -1.20 0.37 0.00 0.00 175.52 175.09 1ggw n SER 105 N -4.32 0.00 -0.02 4.18 7.64 -1.12 -3.02 113.62 116.96 1ggw n SER 105 Ca 0.02 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 60.01 1ggw n SER 105 Cb 0.28 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 1ggw n SER 105 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ggw h LEU 106 N 0.00 -0.03 0.00 -3.43 3.38 -1.44 -3.46 115.31 110.33 1ggw h LEU 106 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ggw h LEU 106 Cb 0.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ggw h LEU 106 CO 0.00 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1ggw n GLY 107 N 0.69 -0.67 3.53 0.83 0.00 -1.23 -4.97 105.19 103.37 1ggw n GLY 107 Ca -0.09 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -7.61 0.00 1.61 -0.58 -1.17 -5.01 120.64 107.88 1ggw n GLU 108 Ca 0.00 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1ggw n GLU 108 Cb 0.00 -5.81 0.00 0.00 -0.57 0.00 0.00 31.44 25.06 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ggw n LYS 109 N -4.78 3.07 -1.90 3.49 0.00 -1.22 -4.64 118.16 112.18 1ggw n LYS 109 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 57.98 1ggw n LYS 109 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.54 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 2.98 0.00 3.14 4.77 -1.26 -4.93 117.00 121.70 1ggw n LEU 110 Ca 0.00 -3.06 -0.14 0.00 -0.03 0.00 0.00 56.01 52.78 1ggw n LEU 110 Cb 0.00 -1.66 0.13 0.00 -2.33 0.00 0.00 43.42 39.56 1ggw n LEU 110 CO 0.00 -1.86 0.22 -1.54 -1.33 0.00 0.00 177.39 172.87 1ggw n SER 111 N 14.17 -2.34 -0.31 -1.43 3.41 -1.26 -4.65 113.62 121.21 1ggw n SER 111 Ca 0.45 -0.59 0.24 0.00 -0.26 0.00 0.00 58.87 58.71 1ggw n SER 111 Cb 0.46 -0.47 0.54 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.34 0.38 -0.03 4.04 7.08 -1.94 -1.92 115.58 120.85 1ggw h ASN 112 Ca -0.19 0.07 0.02 0.00 -3.08 0.00 0.00 56.30 53.12 1ggw h ASN 112 Cb 0.61 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 36.83 1ggw h ASN 112 CO 0.12 0.08 -0.08 -0.08 -2.08 0.00 0.00 177.43 175.39 1ggw h GLU 113 N 0.34 -0.12 0.05 4.14 4.81 -1.97 0.53 114.58 122.35 1ggw h GLU 113 Ca 0.57 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.83 1ggw h GLU 113 Cb 1.57 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 1ggw h GLU 113 CO -0.24 -0.08 -0.16 0.93 -0.73 0.00 0.00 179.01 178.73 1ggw h GLU 114 N -0.13 -0.27 0.00 1.92 4.39 -1.64 -1.72 114.58 117.13 1ggw h GLU 114 Ca 0.04 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1ggw h GLU 114 Cb 0.19 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1ggw h GLU 114 CO -0.11 -0.18 -0.21 0.00 -1.16 0.00 0.00 179.01 177.35 1ggw h MET 115 N -0.28 0.00 -0.26 2.33 -0.00 -1.45 -2.76 114.93 112.51 1ggw h MET 115 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1ggw h MET 115 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 1ggw h MET 115 CO -0.12 0.21 0.11 -0.44 -0.00 0.00 0.00 176.91 176.67 1ggw h ASP 116 N 0.00 0.14 -0.36 -0.10 3.32 0.99 0.41 116.42 120.81 1ggw h ASP 116 Ca -0.00 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1ggw h ASP 116 Cb 0.51 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ggw h ASP 116 CO 0.03 0.11 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.11 1ggw h GLU 117 N 0.24 0.79 -0.70 3.56 4.39 -1.32 -1.64 114.58 119.90 1ggw h GLU 117 Ca 0.11 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1ggw h GLU 117 Cb 0.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1ggw h GLU 117 CO -0.10 0.99 0.32 1.37 -1.16 0.00 0.00 179.01 180.43 1ggw h LEU 118 N 0.59 0.93 -0.73 1.33 8.10 -1.20 -2.57 115.31 121.76 1ggw h LEU 118 Ca 0.08 -0.15 -0.13 0.00 0.11 0.00 0.00 57.88 57.79 1ggw h LEU 118 Cb 0.78 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1ggw h LEU 118 CO 0.06 0.82 -0.53 -0.07 -4.11 0.00 0.00 178.44 174.61 1ggw h LEU 119 N 0.98 0.31 -0.68 0.17 3.38 -0.16 -2.41 115.31 116.91 1ggw h LEU 119 Ca 0.24 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ggw h LEU 119 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1ggw h LEU 119 CO -0.03 0.78 0.25 0.50 0.09 0.00 0.00 178.44 180.04 1ggw h LYS 120 N 0.22 1.03 -0.10 1.13 3.64 -0.99 -3.13 116.57 118.37 1ggw h LYS 120 Ca 0.01 -0.20 -0.22 0.00 -1.27 0.00 0.00 60.65 58.97 1ggw h LYS 120 Cb 1.01 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1ggw h LYS 120 CO 0.08 0.87 -0.78 0.78 -2.27 0.00 0.00 179.45 178.13 1ggw h GLY 121 N 0.97 0.77 -4.40 5.01 0.00 -1.42 -3.44 103.07 100.56 1ggw h GLY 121 Ca 0.22 -1.17 -0.53 0.00 0.00 0.00 0.00 47.33 45.84 1ggw h GLY 121 CO -0.01 1.04 0.29 0.14 0.00 0.00 0.00 176.54 177.99 1ggw s VAL 122 N -3.59 4.72 -1.34 4.60 1.01 -0.91 -4.96 120.40 119.93 1ggw s VAL 122 Ca -0.11 1.90 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 1ggw s VAL 122 Cb 0.07 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1ggw s VAL 122 CO 0.89 0.28 2.94 -0.81 0.00 0.00 0.00 175.10 178.40 1ggw n PRO 123 N 3.22 3.29 -4.44 2.72 -0.04 -1.26 -4.80 135.00 133.69 1ggw n PRO 123 Ca 0.02 -1.95 -0.22 0.00 -0.04 0.00 0.00 63.50 61.30 1ggw n PRO 123 Cb 0.50 -2.65 -0.09 0.00 -0.04 0.00 0.00 33.50 31.22 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 2.16 0.64 -0.08 0.52 -7.23 -1.26 -5.07 120.40 110.08 1ggw s VAL 124 Ca 0.66 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1ggw s VAL 124 Cb 0.19 -2.50 0.18 0.00 0.56 0.00 0.00 36.38 34.81 1ggw s VAL 124 CO -0.05 0.00 1.08 0.29 -0.31 0.00 0.00 175.10 176.11 1ggw n LYS 125 N -0.75 1.09 -0.63 4.82 5.02 -1.26 -4.74 118.16 121.71 1ggw n LYS 125 Ca -0.03 -2.03 -0.02 0.00 -2.02 0.00 0.00 58.31 54.22 1ggw n LYS 125 Cb 0.65 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ggw n ASP 126 N -0.96 -0.26 -3.85 4.39 8.00 -1.26 -5.02 116.55 117.59 1ggw n ASP 126 Ca 0.10 -1.26 -0.29 0.00 0.71 0.00 0.00 54.79 54.05 1ggw n ASP 126 Cb 0.61 0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.83 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 -0.49 3.42 0.44 0.00 -1.26 -2.07 105.19 105.23 1ggw n GLY 127 Ca -0.07 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.53 3.10 0.00 1.61 0.00 -1.13 -3.34 119.30 113.01 1ggw s MET 128 Ca 0.61 -0.89 0.11 0.00 0.00 0.00 0.00 55.69 55.52 1ggw s MET 128 Cb -0.30 -3.67 0.19 0.00 0.00 0.00 0.00 34.83 31.05 1ggw s MET 128 CO 0.81 -0.56 1.04 0.28 0.00 0.00 0.00 175.02 176.60 1ggw n VAL 129 N 5.00 0.00 -2.10 10.11 0.31 -1.26 -4.88 118.33 125.51 1ggw n VAL 129 Ca -0.13 -0.44 -0.19 0.00 -0.01 0.00 0.00 64.34 63.57 1ggw n VAL 129 Cb 0.48 0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 34.06 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 0.22 -5.51 -4.25 4.52 2.85 -1.26 -2.62 115.26 109.21 1ggw n ASN 130 Ca 0.01 0.15 -0.36 0.00 -0.11 0.00 0.00 54.58 54.27 1ggw n ASN 130 Cb 0.88 -4.60 -0.04 0.00 1.24 0.00 0.00 39.78 37.26 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 -3.48 -1.63 -0.02 1.20 9.36 -1.26 -4.74 117.16 116.59 1ggw n TYR 131 Ca -0.22 0.77 -0.06 0.00 3.32 0.00 0.00 57.90 61.71 1ggw n TYR 131 Cb 0.66 -2.86 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 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 -4.35 0.00 -0.03 2.98 8.25 -1.08 -4.42 115.22 116.57 1ggw n HIS 132 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 1ggw n HIS 132 Cb 0.51 -0.21 0.36 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.26 0.54 0.41 0.41 3.58 -1.88 0.30 116.42 119.51 1ggw h ASP 133 Ca -0.12 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 1ggw h ASP 133 Cb 0.84 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1ggw h ASP 133 CO -0.07 0.45 -0.20 -0.26 -2.88 0.00 0.00 179.24 176.28 1ggw h PHE 134 N 0.61 -0.51 -0.22 0.28 0.04 -1.89 -2.12 116.94 113.12 1ggw h PHE 134 Ca 0.16 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1ggw h PHE 134 Cb 0.04 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1ggw h PHE 134 CO 0.00 -0.19 -0.01 0.28 -0.60 0.00 0.00 178.31 177.79 1ggw h VAL 135 N -0.94 1.15 -0.14 -0.55 2.07 -1.74 -2.26 116.25 113.84 1ggw h VAL 135 Ca -0.06 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1ggw h VAL 135 Cb 0.56 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ggw h VAL 135 CO 0.09 0.19 0.06 -0.61 0.02 0.00 0.00 177.57 177.33 1ggw h GLN 136 N 0.32 0.20 -0.34 1.57 4.15 -0.39 0.31 115.11 120.92 1ggw h GLN 136 Ca 0.07 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1ggw h GLN 136 Cb 0.24 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1ggw h GLN 136 CO 0.01 0.27 -0.01 1.98 -1.93 0.00 0.00 178.83 179.15 1ggw h MET 137 N 0.08 0.53 -0.32 1.69 4.05 -1.13 -2.81 114.93 117.02 1ggw h MET 137 Ca 0.05 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.26 1ggw h MET 137 Cb 0.15 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1ggw h MET 137 CO -0.00 0.57 -0.16 0.82 0.23 0.00 0.00 176.91 178.36 1ggw h ILE 138 N 0.51 1.29 -1.71 1.77 5.03 -1.10 -3.29 117.51 120.01 1ggw h ILE 138 Ca 0.11 -1.27 -0.77 0.00 -0.12 0.00 0.00 64.86 62.81 1ggw h ILE 138 Cb 0.35 1.44 -0.19 0.00 -3.03 0.00 0.00 36.82 35.39 1ggw h ILE 138 CO 0.01 0.41 1.78 0.18 -0.68 0.00 0.00 178.15 179.86 1ggw n LEU 139 N -4.36 7.38 -3.23 1.44 4.32 0.07 -4.78 117.00 117.84 1ggw n LEU 139 Ca -0.03 -5.00 -0.31 0.00 -0.02 0.00 0.00 56.01 50.65 1ggw n LEU 139 Cb 0.39 -1.33 -0.03 0.00 -1.62 0.00 0.00 43.42 40.83 1ggw n LEU 139 CO 0.43 1.87 0.45 0.00 -1.22 0.00 0.00 177.39 178.91 1ggw n ALA 140 N 1.69 4.88 -0.57 -1.18 0.00 -1.24 -4.90 120.51 119.18 1ggw n ALA 140 Ca 0.49 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 49.22 1ggw n ALA 140 Cb 0.29 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59