#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 0.00 0.11 6.66 5.66 -1.26 -5.02 114.28 120.43 1ggw n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ggw n THR 3 Cb 0.00 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ggw n ASP 4 N -2.82 0.08 -3.60 1.09 2.03 -1.26 -5.08 116.55 107.00 1ggw n ASP 4 Ca 0.00 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.46 1ggw n ASP 4 Cb 0.49 0.23 -0.16 0.00 -0.72 0.00 0.00 41.12 40.96 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ggw s ASP 5 N -5.19 1.85 0.13 1.67 1.01 -1.26 -4.98 116.67 109.90 1ggw s ASP 5 Ca 0.00 -0.36 -0.19 0.00 0.71 0.00 0.00 52.55 52.71 1ggw s ASP 5 Cb 0.00 -0.05 -0.05 0.00 1.01 0.00 0.00 42.92 43.83 1ggw s ASP 5 CO 0.00 -0.32 1.77 -1.28 0.21 0.00 0.00 175.17 175.55 1ggw h SER 6 N 8.39 0.20 1.31 0.27 0.87 -1.97 0.55 113.55 123.19 1ggw h SER 6 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ggw h SER 6 Cb 1.14 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ggw h SER 6 CO 0.26 0.15 -0.12 -0.81 -0.53 0.00 0.00 176.83 175.77 1ggw n PRO 7 N -4.97 0.25 -0.01 2.24 -0.04 -1.26 -0.38 135.00 130.82 1ggw n PRO 7 Ca -0.03 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1ggw n PRO 7 Cb 0.04 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 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 -2.17 0.00 0.12 0.54 4.01 -1.10 -4.46 117.16 114.10 1ggw n TYR 8 Ca 0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1ggw n TYR 8 Cb 0.42 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.35 -0.35 -0.72 1.63 -0.34 -1.81 116.57 114.26 1ggw h LYS 9 Ca 0.00 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1ggw h LYS 9 Cb 0.38 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.06 1ggw h LYS 9 CO 0.00 -0.23 0.13 0.37 -3.45 0.00 0.00 179.45 176.27 1ggw h GLN 10 N -0.83 0.28 -0.83 1.90 -0.00 -0.51 -2.08 115.11 113.04 1ggw h GLN 10 Ca -0.04 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.64 1ggw h GLN 10 Cb 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 1ggw h GLN 10 CO 0.06 0.18 0.53 0.00 0.00 0.00 0.00 178.83 179.60 1ggw h ALA 11 N 1.21 1.11 -0.77 3.38 0.00 -0.86 -1.91 119.26 121.42 1ggw h ALA 11 Ca 0.15 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ggw h ALA 11 Cb 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1ggw h ALA 11 CO -0.15 0.33 0.45 0.35 0.00 0.00 0.00 179.25 180.24 1ggw h PHE 12 N 1.01 0.84 -0.60 0.00 3.04 -0.66 -1.38 116.94 119.18 1ggw h PHE 12 Ca 0.34 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1ggw h PHE 12 Cb 0.06 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 1ggw h PHE 12 CO -0.03 0.40 0.31 0.77 -2.02 0.00 0.00 178.31 177.75 1ggw h SER 13 N 0.82 0.74 -0.23 0.41 0.02 -0.79 -2.25 113.55 112.27 1ggw h SER 13 Ca 0.34 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ggw h SER 13 Cb 0.20 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1ggw h SER 13 CO -0.19 0.61 0.03 -0.07 -1.14 0.00 0.00 176.83 176.08 1ggw h LEU 14 N 0.83 0.46 -3.38 5.07 3.38 -0.85 -2.58 115.31 118.24 1ggw h LEU 14 Ca 0.21 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.76 1ggw h LEU 14 Cb 0.05 -0.12 -0.21 0.00 0.09 0.00 0.00 40.66 40.47 1ggw h LEU 14 CO -0.03 0.50 0.44 0.49 0.09 0.00 0.00 178.44 179.93 1ggw n PHE 15 N -4.32 2.13 -2.69 1.13 3.72 -0.85 -4.94 117.46 111.64 1ggw n PHE 15 Ca 0.01 -1.41 -0.42 0.00 -0.05 0.00 0.00 57.45 55.58 1ggw n PHE 15 Cb 0.21 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.00 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 -0.60 7.23 -0.03 4.37 1.11 -0.98 -4.79 116.67 122.99 1ggw s ASP 16 Ca 0.40 1.52 -0.19 0.00 0.18 0.00 0.00 52.55 54.45 1ggw s ASP 16 Cb 0.33 -2.55 -0.12 0.00 1.07 0.00 0.00 42.92 41.65 1ggw s ASP 16 CO 0.08 -0.46 0.83 -0.09 1.18 0.00 0.00 175.17 176.70 1ggw h ARG 17 N 7.13 -0.52 -0.27 8.23 9.65 -1.92 -3.36 114.38 133.31 1ggw h ARG 17 Ca -0.30 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1ggw h ARG 17 Cb 1.14 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1ggw h ARG 17 CO 0.86 -0.26 0.00 0.72 2.80 0.00 0.00 179.97 184.10 1ggw n HIS 18 N -5.14 0.35 -3.48 2.20 8.25 -1.26 -4.99 115.22 111.15 1ggw n HIS 18 Ca -0.08 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 56.87 1ggw n HIS 18 Cb 0.26 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.43 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 0.79 -0.42 0.12 -1.41 0.00 -1.26 -4.92 105.19 98.09 1ggw n GLY 19 Ca 0.12 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.58 1.08 -0.37 2.61 -2.24 -1.26 -4.97 114.28 104.54 1ggw n THR 20 Ca -0.08 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1ggw n THR 20 Cb 0.59 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.41 0.70 3.48 3.38 0.00 -1.26 -5.06 105.19 106.02 1ggw n GLY 21 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.63 1.67 -0.11 1.61 3.00 -1.26 -3.46 118.95 119.78 1ggw s ARG 22 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 55.73 53.76 1ggw s ARG 22 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 34.95 33.79 1ggw s ARG 22 CO 0.00 -0.04 0.27 0.96 0.00 0.00 0.00 175.30 176.49 1ggw s ILE 23 N -3.02 -0.01 0.70 1.52 -4.36 -0.92 -3.97 121.20 111.14 1ggw s ILE 23 Ca 0.33 0.05 -0.05 0.00 -0.26 0.00 0.00 60.65 60.72 1ggw s ILE 23 Cb 0.06 -0.39 0.08 0.00 1.25 0.00 0.00 42.46 43.46 1ggw s ILE 23 CO 0.14 0.02 1.00 -2.16 0.24 0.00 0.00 174.94 174.18 1ggw s PRO 24 N 0.55 2.03 0.36 0.37 0.04 -1.26 -2.16 135.00 134.93 1ggw s PRO 24 Ca -0.03 -0.51 0.17 0.00 0.04 0.00 0.00 61.00 60.67 1ggw s PRO 24 Cb -0.05 -2.22 1.15 0.00 0.04 0.00 0.00 34.50 33.42 1ggw s PRO 24 CO -0.03 -1.29 1.66 1.57 0.04 0.00 0.00 177.00 178.95 1ggw h LYS 25 N -0.57 0.27 -0.68 4.56 2.10 -1.91 0.22 116.57 120.56 1ggw h LYS 25 Ca -0.43 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.22 1ggw h LYS 25 Cb 1.30 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 1ggw h LYS 25 CO 0.53 0.18 0.44 1.79 -2.00 0.00 0.00 179.45 180.40 1ggw h THR 26 N 0.28 1.14 0.11 0.07 1.35 -1.94 -2.03 112.91 111.89 1ggw h THR 26 Ca 0.74 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 66.29 1ggw h THR 26 Cb 1.81 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1ggw h THR 26 CO -0.57 0.16 -0.05 0.28 -0.25 0.00 0.00 175.52 175.09 1ggw h SER 27 N 0.89 -0.12 -0.92 5.36 0.02 -0.90 -3.25 113.55 114.63 1ggw h SER 27 Ca 0.26 -0.42 0.20 0.00 -0.84 0.00 0.00 61.79 60.99 1ggw h SER 27 Cb -0.06 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 1ggw h SER 27 CO -0.07 0.40 0.60 0.40 -1.14 0.00 0.00 176.83 177.02 1ggw h ILE 28 N -0.70 0.68 0.00 3.27 1.08 -1.27 0.64 117.51 121.21 1ggw h ILE 28 Ca -0.01 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1ggw h ILE 28 Cb 0.54 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1ggw h ILE 28 CO 0.02 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 1ggw n GLY 29 N -1.50 -2.69 0.25 5.37 0.00 -0.77 -0.28 105.19 105.57 1ggw n GLY 29 Ca 0.20 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 0.01 1.61 3.04 -1.63 -2.81 116.42 116.65 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 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1ggw h ASP 30 CO 0.00 0.14 -0.01 0.25 -2.04 0.00 0.00 179.24 177.58 1ggw h LEU 31 N 0.00 -0.01 -2.04 0.15 5.85 -0.70 -2.80 115.31 115.75 1ggw h LEU 31 Ca -0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ggw h LEU 31 Cb 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ggw h LEU 31 CO 0.02 0.23 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.22 1ggw h LEU 32 N -0.25 0.00 -1.21 2.25 3.38 -0.40 -2.27 115.31 116.80 1ggw h LEU 32 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 32 Cb 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1ggw h LEU 32 CO 0.00 0.05 0.58 -0.09 0.09 0.00 0.00 178.44 179.08 1ggw h ARG 33 N 0.00 0.78 -0.09 1.13 9.65 -1.15 0.17 114.38 124.87 1ggw h ARG 33 Ca -0.00 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1ggw h ARG 33 Cb 0.11 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1ggw h ARG 33 CO 0.01 0.52 -0.16 0.00 2.80 0.00 0.00 179.97 183.14 1ggw h ALA 34 N 1.58 1.58 0.17 2.80 0.00 -1.46 -3.00 119.26 120.92 1ggw h ALA 34 Ca 0.45 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 1ggw h ALA 34 Cb 0.58 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ggw h ALA 34 CO -0.21 0.31 -1.45 0.00 0.00 0.00 0.00 179.25 177.90 1ggw n GLY 36 N 1.77 -0.71 3.36 0.00 0.00 0.38 -4.95 105.19 105.04 1ggw n GLY 36 Ca -0.22 0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 1.54 -0.26 1.61 -0.21 -1.22 -4.76 119.66 116.36 1ggw s GLN 37 Ca 0.00 -1.86 0.02 0.00 0.02 0.00 0.00 55.36 53.54 1ggw s GLN 37 Cb 0.00 -0.38 0.06 0.00 1.00 0.00 0.00 33.01 33.70 1ggw s GLN 37 CO 0.00 -0.32 -0.06 1.21 -2.12 0.00 0.00 175.29 174.00 1ggw s ASN 38 N -3.39 4.16 0.22 5.90 3.04 -1.26 -2.15 114.94 121.46 1ggw s ASN 38 Ca 0.36 -1.36 0.00 0.00 0.04 0.00 0.00 52.86 51.90 1ggw s ASN 38 Cb 0.07 -1.34 0.00 0.00 -1.54 0.00 0.00 41.25 38.43 1ggw s ASN 38 CO 0.15 -0.24 0.00 -0.81 -3.04 0.00 0.00 177.10 173.16 1ggw n PRO 39 N 4.55 1.02 -2.65 0.43 -0.04 -1.26 -5.02 135.00 132.03 1ggw n PRO 39 Ca -0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.11 1ggw n PRO 39 Cb 0.43 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 0.07 3.41 0.41 0.52 -4.23 -1.26 -4.93 115.64 109.63 1ggw s THR 40 Ca 0.00 -0.37 0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1ggw s THR 40 Cb 0.00 -3.31 0.33 0.00 1.34 0.00 0.00 72.50 70.86 1ggw s THR 40 CO 0.00 -0.26 1.95 -0.07 -0.54 0.00 0.00 174.62 175.70 1ggw h LEU 41 N 0.05 0.44 -1.29 4.79 -0.00 -1.99 0.18 115.31 117.50 1ggw h LEU 41 Ca -0.45 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.46 1ggw h LEU 41 Cb 1.27 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.81 1ggw h LEU 41 CO 0.57 0.26 0.49 0.00 -0.00 0.00 0.00 178.44 179.76 1ggw h ALA 42 N 1.66 1.51 0.31 1.53 0.00 -1.99 -0.05 119.26 122.23 1ggw h ALA 42 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ggw h ALA 42 Cb 0.61 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ggw h ALA 42 CO -0.10 0.44 -0.15 1.49 0.00 0.00 0.00 179.25 180.93 1ggw h GLU 43 N 0.97 -0.40 -0.62 0.00 4.22 -1.33 -1.16 114.58 116.25 1ggw h GLU 43 Ca 0.28 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.78 1ggw h GLU 43 Cb -0.05 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ggw h GLU 43 CO -0.07 -0.11 0.36 -0.84 -2.18 0.00 0.00 179.01 176.18 1ggw h ILE 44 N -0.69 1.04 -0.68 2.32 -2.65 -1.29 -1.95 117.51 113.60 1ggw h ILE 44 Ca -0.04 -0.24 0.04 0.00 1.03 0.00 0.00 64.86 65.64 1ggw h ILE 44 Cb 0.48 0.27 -0.05 0.00 -2.05 0.00 0.00 36.82 35.47 1ggw h ILE 44 CO 0.07 0.13 0.41 0.74 0.03 0.00 0.00 178.15 179.53 1ggw h THR 45 N 0.71 1.05 -1.00 0.16 2.02 -0.99 -1.30 112.91 113.56 1ggw h THR 45 Ca 0.26 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1ggw h THR 45 Cb 0.07 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1ggw h THR 45 CO -0.13 0.14 0.64 -0.33 0.37 0.00 0.00 175.52 176.22 1ggw h GLU 46 N 0.79 1.08 -0.04 6.66 4.39 -0.46 -0.97 114.58 126.02 1ggw h GLU 46 Ca 0.28 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1ggw h GLU 46 Cb 0.07 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1ggw h GLU 46 CO -0.13 0.72 0.01 0.82 -1.16 0.00 0.00 179.01 179.26 1ggw h ILE 47 N 1.11 1.20 -0.11 3.13 2.04 -0.80 -2.49 117.51 121.60 1ggw h ILE 47 Ca 0.45 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ggw h ILE 47 Cb 0.26 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1ggw h ILE 47 CO -0.20 0.17 0.18 -0.33 0.00 0.00 0.00 178.15 177.97 1ggw h GLU 48 N -0.16 0.00 0.00 2.37 5.08 -0.49 -1.54 114.58 119.83 1ggw h GLU 48 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ggw h GLU 48 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ggw h GLU 48 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1ggw n SER 49 N -3.48 0.00 -0.02 1.42 7.64 -0.44 -3.33 113.62 115.41 1ggw n SER 49 Ca -0.00 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.10 1ggw n SER 49 Cb 0.28 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.32 0.17 -3.04 0.44 -2.24 -0.58 -5.05 114.28 102.65 1ggw n THR 50 Ca 0.03 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1ggw n THR 50 Cb 0.06 -1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 67.14 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 -5.73 3.89 0.49 3.22 2.01 -1.21 -5.03 118.68 116.33 1ggw s LEU 51 Ca -0.04 0.88 -0.19 0.00 0.01 0.00 0.00 54.13 54.79 1ggw s LEU 51 Cb 0.01 -3.75 -0.14 0.00 0.01 0.00 0.00 46.19 42.33 1ggw s LEU 51 CO 0.06 -0.35 0.04 -2.65 1.01 0.00 0.00 176.35 174.46 1ggw n PRO 52 N -1.39 0.10 -0.16 1.29 -0.02 -1.26 -4.73 135.00 128.83 1ggw n PRO 52 Ca -0.00 0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1ggw n PRO 52 Cb 0.54 -1.13 -0.04 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.43 -0.24 -2.67 3.55 0.00 -1.26 -4.01 120.51 114.46 1ggw n ALA 53 Ca 0.09 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1ggw n ALA 53 Cb 0.46 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.35 4.26 -1.02 0.00 2.02 -1.26 -4.92 118.70 113.44 1ggw s GLU 54 Ca -0.04 0.85 -0.19 0.00 0.02 0.00 0.00 54.97 55.60 1ggw s GLU 54 Cb 0.04 -3.58 0.12 0.00 0.10 0.00 0.00 34.13 30.81 1ggw s GLU 54 CO 0.23 -0.29 1.28 0.08 0.02 0.00 0.00 175.26 176.58 1ggw s VAL 55 N 2.04 4.57 0.92 2.63 1.01 -0.92 -4.81 120.40 125.83 1ggw s VAL 55 Ca 0.34 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1ggw s VAL 55 Cb -0.16 -4.89 0.20 0.00 0.00 0.00 0.00 36.38 31.54 1ggw s VAL 55 CO 0.11 -1.65 1.25 -0.90 0.00 0.00 0.00 175.10 173.91 1ggw n ASP 56 N 7.02 0.50 -0.33 3.32 5.68 -1.26 -2.17 116.55 129.32 1ggw n ASP 56 Ca 0.29 -1.70 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 1ggw n ASP 56 Cb 0.48 -0.92 0.36 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.05 0.13 0.11 2.86 -1.95 0.18 114.93 116.31 1ggw h MET 57 Ca -0.41 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1ggw h MET 57 Cb 1.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1ggw h MET 57 CO 0.33 0.03 -0.06 1.49 1.06 0.00 0.00 176.91 179.76 1ggw h GLU 58 N 0.05 -0.16 0.00 1.72 4.81 -1.92 -1.77 114.58 117.32 1ggw h GLU 58 Ca 0.65 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.91 1ggw h GLU 58 Cb 1.44 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 1ggw h GLU 58 CO -0.83 0.24 -0.11 1.96 -0.73 0.00 0.00 179.01 179.55 1ggw h GLN 59 N -0.63 -0.18 -0.14 1.92 7.50 -1.44 0.10 115.11 122.25 1ggw h GLN 59 Ca -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.48 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1ggw h GLN 59 CO 0.03 -0.12 0.09 0.35 -1.50 0.00 0.00 178.83 177.68 1ggw h PHE 60 N -0.19 0.18 -0.43 2.96 3.57 -0.82 -2.52 116.94 119.70 1ggw h PHE 60 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.24 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1ggw h PHE 60 CO -0.17 0.15 0.23 -0.07 -2.23 0.00 0.00 178.31 176.22 1ggw h LEU 61 N 0.17 0.52 -0.02 0.59 3.38 -1.15 0.21 115.31 119.01 1ggw h LEU 61 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 61 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ggw h LEU 61 CO -0.01 0.43 0.01 1.56 0.09 0.00 0.00 178.44 180.52 1ggw h GLN 62 N 0.59 0.02 -0.01 1.13 4.20 -0.37 0.20 115.11 120.87 1ggw h GLN 62 Ca 0.15 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.63 1ggw h GLN 62 Cb 0.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ggw h GLN 62 CO -0.02 0.03 -0.93 -0.39 -0.67 0.00 0.00 178.83 176.85 1ggw h VAL 63 N 0.01 1.38 0.15 -0.54 -1.51 -1.22 -3.13 116.25 111.38 1ggw h VAL 63 Ca 0.01 -2.37 -0.01 0.00 -1.23 0.00 0.00 66.70 63.10 1ggw h VAL 63 Cb 0.01 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1ggw h VAL 63 CO -0.00 0.71 -0.07 0.25 -1.23 0.00 0.00 177.57 177.23 1ggw h LEU 64 N 0.27 -0.17 -4.66 4.19 5.85 -0.46 -3.06 115.31 117.27 1ggw h LEU 64 Ca -0.08 -0.08 -0.65 0.00 0.84 0.00 0.00 57.88 57.91 1ggw h LEU 64 Cb 1.56 0.04 -0.23 0.00 0.37 0.00 0.00 40.66 42.40 1ggw h LEU 64 CO 0.17 -0.02 0.79 0.59 -0.34 0.00 0.00 178.44 179.62 1ggw n ASN 65 N -5.13 7.15 0.00 1.25 3.02 0.70 -4.67 115.26 117.58 1ggw n ASN 65 Ca -0.09 -3.58 -0.11 0.00 -0.03 0.00 0.00 54.58 50.77 1ggw n ASN 65 Cb 0.14 -1.11 -0.06 0.00 -0.61 0.00 0.00 39.78 38.14 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 2.82 0.11 -0.83 3.52 2.43 -1.47 -2.63 114.38 118.32 1ggw h ARG 66 Ca 0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1ggw h ARG 66 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ggw h ARG 66 CO 1.23 0.10 0.00 -0.35 -1.51 0.00 0.00 179.97 179.44 1ggw n PRO 67 N -5.02 1.73 -2.80 0.20 -0.04 -1.26 -4.95 135.00 122.86 1ggw n PRO 67 Ca -0.06 -0.62 -0.01 0.00 -0.04 0.00 0.00 63.50 62.77 1ggw n PRO 67 Cb 0.04 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.10 -6.48 0.00 3.54 5.15 -0.99 -4.98 115.26 111.60 1ggw n ASN 68 Ca 0.05 1.22 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1ggw n ASN 68 Cb 0.40 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ggw n GLY 69 N 1.07 1.45 3.97 8.20 0.00 -1.26 -5.11 105.19 113.51 1ggw n GLY 69 Ca -0.07 -2.21 -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 -1.31 2.83 -0.83 1.61 0.08 -1.26 -4.67 117.98 114.44 1ggw s PHE 70 Ca 0.00 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 1ggw s PHE 70 Cb 0.00 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1ggw s PHE 70 CO 0.00 -0.26 0.71 -0.25 -0.10 0.00 0.00 175.22 175.32 1ggw n ASP 71 N -1.72 -6.80 0.00 1.36 9.92 -1.26 -4.82 116.55 113.23 1ggw n ASP 71 Ca 0.05 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1ggw n ASP 71 Cb 0.60 -4.31 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1ggw n MET 72 N -2.34 0.00 0.09 -1.24 1.56 -1.26 -4.94 117.12 108.99 1ggw n MET 72 Ca -0.09 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.20 1ggw n MET 72 Cb 0.56 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.86 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 -0.62 -0.08 2.12 0.11 -1.83 -3.40 132.00 128.31 1ggw h PRO 73 Ca 0.00 0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.98 1ggw h PRO 73 Cb 0.00 0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.04 1ggw h PRO 73 CO 0.00 -0.41 -0.51 0.41 -0.21 0.00 0.00 178.00 177.28 1ggw n GLY 74 N -1.46 1.47 3.92 -0.55 0.00 -1.26 -5.00 105.19 102.31 1ggw n GLY 74 Ca -0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.66 4.02 0.39 1.61 1.11 -1.26 -4.78 116.67 116.10 1ggw s ASP 75 Ca 0.12 0.50 0.15 0.00 0.18 0.00 0.00 52.55 53.51 1ggw s ASP 75 Cb 0.30 -0.84 1.01 0.00 1.07 0.00 0.00 42.92 44.45 1ggw s ASP 75 CO -0.08 -2.18 1.83 -0.65 1.18 0.00 0.00 175.17 175.27 1ggw h PRO 76 N -1.20 0.48 -0.68 8.23 0.11 -1.98 0.36 132.00 137.32 1ggw h PRO 76 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ggw h PRO 76 Cb 1.29 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1ggw h PRO 76 CO 0.54 0.32 0.25 0.93 -0.21 0.00 0.00 178.00 179.83 1ggw h GLU 77 N 0.49 1.02 -0.56 1.05 3.07 -1.95 -2.22 114.58 115.48 1ggw h GLU 77 Ca 0.50 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.14 1ggw h GLU 77 Cb 1.14 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1ggw h GLU 77 CO -0.23 0.84 0.17 1.49 -1.40 0.00 0.00 179.01 179.88 1ggw h GLU 78 N 0.99 0.87 -0.51 2.33 4.57 -1.20 -0.06 114.58 121.57 1ggw h GLU 78 Ca 0.23 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1ggw h GLU 78 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1ggw h GLU 78 CO -0.02 0.79 0.25 0.35 -1.18 0.00 0.00 179.01 179.21 1ggw h PHE 79 N 0.78 0.73 -0.52 0.92 3.57 -1.21 -2.00 116.94 119.22 1ggw h PHE 79 Ca 0.18 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 79 Cb 0.29 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1ggw h PHE 79 CO 0.02 0.57 -0.10 0.28 -2.23 0.00 0.00 178.31 176.85 1ggw h VAL 80 N 0.68 1.27 -0.49 1.41 2.07 -1.24 -2.49 116.25 117.46 1ggw h VAL 80 Ca 0.18 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1ggw h VAL 80 Cb 0.11 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ggw h VAL 80 CO -0.02 0.43 0.23 0.50 0.02 0.00 0.00 177.57 178.73 1ggw h LYS 81 N 0.86 0.68 0.20 1.57 1.63 -0.73 0.76 116.57 121.54 1ggw h LYS 81 Ca 0.14 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1ggw h LYS 81 Cb 0.65 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1ggw h LYS 81 CO 0.04 0.53 -0.10 0.78 -3.45 0.00 0.00 179.45 177.26 1ggw h GLY 82 N 0.79 -0.28 0.79 5.01 0.00 -1.17 -3.31 103.07 104.91 1ggw h GLY 82 Ca 0.17 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.64 1ggw h GLY 82 CO -0.02 -0.10 0.27 0.74 0.00 0.00 0.00 176.54 177.43 1ggw h PHE 83 N -0.85 0.50 0.00 5.60 -1.00 -1.38 -3.15 116.94 116.67 1ggw h PHE 83 Ca -0.03 0.02 -0.69 0.00 2.81 0.00 0.00 57.97 60.08 1ggw h PHE 83 Cb 0.51 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1ggw h PHE 83 CO 0.07 0.26 3.49 0.94 -1.61 0.00 0.00 178.31 181.47 1ggw n GLN 84 N -4.85 3.27 -0.03 1.51 -0.06 0.25 -4.24 117.38 113.23 1ggw n GLN 84 Ca 0.04 -2.40 -0.05 0.00 -2.00 0.00 0.00 57.00 52.58 1ggw n GLN 84 Cb 0.11 -3.05 -0.03 0.00 -4.06 0.00 0.00 30.24 23.21 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1ggw n VAL 85 N 4.36 0.39 -1.77 1.69 3.14 -1.19 -4.76 118.33 120.18 1ggw n VAL 85 Ca 0.65 -0.14 -0.00 0.00 -2.96 0.00 0.00 64.34 61.89 1ggw n VAL 85 Cb 0.31 -0.87 0.16 0.00 -1.06 0.00 0.00 33.84 32.38 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 -2.79 0.56 -3.26 1.45 3.72 -1.26 -4.85 117.46 111.02 1ggw n PHE 86 Ca -0.12 -1.58 -0.25 0.00 -0.05 0.00 0.00 57.45 55.45 1ggw n PHE 86 Cb 0.62 -0.26 -0.08 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.91 -0.32 -0.15 4.37 8.00 -1.26 -4.98 116.55 121.30 1ggw n ASP 87 Ca 0.23 -2.56 -0.09 0.00 0.71 0.00 0.00 54.79 53.08 1ggw n ASP 87 Cb 0.78 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 4.80 0.68 0.00 -1.24 1.63 -1.94 -3.34 116.57 117.16 1ggw h LYS 88 Ca 0.16 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1ggw h LYS 88 Cb 0.90 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1ggw h LYS 88 CO 0.40 0.67 -0.31 0.22 -3.45 0.00 0.00 179.45 176.99 1ggw h ASP 89 N 0.56 0.00 -5.67 4.20 1.82 -2.00 -3.50 116.42 111.83 1ggw h ASP 89 Ca 0.14 -0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 1ggw h ASP 89 Cb 0.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1ggw h ASP 89 CO -0.00 0.68 -0.25 0.00 -1.61 0.00 0.00 179.24 178.06 1ggw n ALA 90 N -3.23 -2.57 -3.28 -0.78 0.00 -1.26 -4.99 120.51 104.41 1ggw n ALA 90 Ca -0.05 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1ggw n ALA 90 Cb 0.18 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -1.93 1.22 0.00 0.00 -1.04 -1.26 -4.82 114.28 106.45 1ggw n THR 91 Ca -0.07 -4.80 0.00 0.00 -2.04 0.00 0.00 64.05 57.14 1ggw n THR 91 Cb 0.54 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggw n GLY 92 N 0.89 1.12 3.64 3.41 0.00 -1.26 -5.12 105.19 107.89 1ggw n GLY 92 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 1ggw n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 93 N -0.12 0.27 -0.17 1.61 0.00 -1.26 -4.41 119.30 115.23 1ggw s MET 93 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 55.69 56.09 1ggw s MET 93 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 34.83 34.82 1ggw s MET 93 CO 0.00 -0.05 -0.16 1.51 0.00 0.00 0.00 175.02 176.32 1ggw n ILE 94 N 2.77 0.95 -2.00 10.11 0.00 -1.26 -4.75 119.36 125.18 1ggw n ILE 94 Ca -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 62.75 62.23 1ggw n ILE 94 Cb 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 39.64 39.01 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 2.56 -1.16 0.36 4.50 0.00 -0.85 -4.67 105.19 105.93 1ggw n GLY 95 Ca -0.30 0.37 0.25 0.00 0.00 0.00 0.00 46.02 46.33 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 0.78 0.32 -1.00 1.61 2.07 -0.88 0.23 116.25 119.38 1ggw h VAL 96 Ca 0.00 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.60 1ggw h VAL 96 Cb 0.34 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 1ggw h VAL 96 CO 0.07 0.06 0.61 1.23 0.02 0.00 0.00 177.57 179.56 1ggw h GLY 97 N 0.32 1.80 0.56 2.17 0.00 -1.84 0.29 103.07 106.37 1ggw h GLY 97 Ca 0.73 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1ggw h GLY 97 CO -0.55 -0.08 -0.13 -2.09 0.00 0.00 0.00 176.54 173.70 1ggw h GLU 98 N 0.75 0.18 -0.82 4.80 4.81 -0.83 -2.41 114.58 121.06 1ggw h GLU 98 Ca 0.58 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 1ggw h GLU 98 Cb 0.92 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 1ggw h GLU 98 CO -0.39 0.73 0.54 1.37 -0.73 0.00 0.00 179.01 180.52 1ggw h LEU 99 N -0.34 0.84 -0.30 1.64 8.10 -1.02 -2.04 115.31 122.20 1ggw h LEU 99 Ca -0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 1ggw h LEU 99 Cb 0.73 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1ggw h LEU 99 CO 0.03 0.57 -0.13 -0.09 -4.11 0.00 0.00 178.44 174.71 1ggw h ARG 100 N 0.97 0.61 -0.73 0.17 2.43 -0.48 -0.87 114.38 116.47 1ggw h ARG 100 Ca 0.33 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1ggw h ARG 100 Cb 0.10 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1ggw h ARG 100 CO -0.11 0.83 0.48 -0.92 -1.51 0.00 0.00 179.97 178.75 1ggw h TYR 101 N 0.36 0.84 0.00 2.20 3.20 -0.89 0.23 116.97 122.91 1ggw h TYR 101 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ggw h TYR 101 Cb 0.64 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1ggw h TYR 101 CO 0.06 0.48 -0.00 0.28 -1.64 0.00 0.00 178.16 177.33 1ggw h VAL 102 N 0.86 1.66 -0.57 1.81 2.07 -1.28 -2.89 116.25 117.91 1ggw h VAL 102 Ca 0.30 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1ggw h VAL 102 Cb 0.11 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1ggw h VAL 102 CO -0.09 0.53 0.20 -0.07 0.02 0.00 0.00 177.57 178.15 1ggw h LEU 103 N -0.89 0.82 -0.59 2.57 3.38 -1.03 -2.20 115.31 117.36 1ggw h LEU 103 Ca -0.00 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ggw h LEU 103 Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1ggw h LEU 103 CO 0.00 0.79 0.13 0.74 0.09 0.00 0.00 178.44 180.19 1ggw h THR 104 N 0.80 1.25 0.00 0.22 2.02 -0.70 -2.37 112.91 114.13 1ggw h THR 104 Ca 0.19 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1ggw h THR 104 Cb 0.25 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1ggw h THR 104 CO -0.01 0.34 0.00 0.77 0.37 0.00 0.00 175.52 176.99 1ggw h SER 105 N 0.85 0.00 0.19 4.18 4.64 -1.37 -1.17 113.55 120.88 1ggw h SER 105 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1ggw h SER 105 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ggw h SER 105 CO 0.00 0.00 -0.09 -0.07 -0.87 0.00 0.00 176.83 175.80 1ggw h LEU 106 N 0.00 -0.22 -4.41 5.97 3.38 -0.86 -3.45 115.31 115.73 1ggw h LEU 106 Ca 0.00 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1ggw h LEU 106 Cb 0.39 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 1ggw h LEU 106 CO 0.00 0.32 -0.13 0.61 0.09 0.00 0.00 178.44 179.33 1ggw n GLY 107 N 0.85 0.63 3.57 0.83 0.00 -1.18 -5.00 105.19 104.89 1ggw n GLY 107 Ca -0.06 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.80 -6.34 0.00 1.61 4.71 -0.44 -5.01 120.64 114.36 1ggw n GLU 108 Ca -0.12 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.80 1ggw n GLU 108 Cb 0.73 -5.66 0.00 0.00 -1.01 0.00 0.00 31.44 25.50 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ggw n LYS 109 N -4.38 2.97 -2.07 3.49 4.76 -1.14 -4.64 118.16 117.14 1ggw n LYS 109 Ca -0.21 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.93 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 3.25 0.00 -0.35 4.77 -1.26 -4.83 117.00 118.58 1ggw n LEU 110 Ca 0.00 -3.23 -0.24 0.00 -0.03 0.00 0.00 56.01 52.51 1ggw n LEU 110 Cb 0.00 -1.72 0.22 0.00 -2.33 0.00 0.00 43.42 39.59 1ggw n LEU 110 CO 0.00 -1.64 0.32 -1.54 -1.33 0.00 0.00 177.39 173.20 1ggw n SER 111 N 13.76 -3.31 -0.27 -1.43 3.41 -1.26 -4.48 113.62 120.04 1ggw n SER 111 Ca 0.45 -0.76 0.33 0.00 -0.26 0.00 0.00 58.87 58.63 1ggw n SER 111 Cb 0.46 -0.78 0.74 0.00 -0.26 0.00 0.00 64.21 64.37 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 -3.09 0.00 0.74 4.04 7.08 -1.91 -2.37 115.58 120.07 1ggw h ASN 112 Ca -0.31 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.87 1ggw h ASN 112 Cb 1.03 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.27 1ggw h ASN 112 CO 0.19 0.00 -0.36 -0.08 -2.08 0.00 0.00 177.43 175.11 1ggw h GLU 113 N 0.00 -0.96 -0.82 4.14 4.81 -1.97 0.70 114.58 120.48 1ggw h GLU 113 Ca 0.51 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.85 1ggw h GLU 113 Cb 2.10 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 31.64 1ggw h GLU 113 CO -0.01 -0.64 0.52 1.49 -0.73 0.00 0.00 179.01 179.65 1ggw h GLU 114 N -0.99 0.98 -0.24 1.92 4.22 -1.74 -1.54 114.58 117.18 1ggw h GLU 114 Ca -0.10 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.21 1ggw h GLU 114 Cb 0.76 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ggw h GLU 114 CO 0.17 0.65 -0.17 0.52 -2.18 0.00 0.00 179.01 177.99 1ggw h MET 115 N 1.01 0.42 -0.22 1.92 0.00 -1.40 -2.63 114.93 114.03 1ggw h MET 115 Ca 0.33 -0.13 0.03 0.00 0.00 0.00 0.00 59.70 59.93 1ggw h MET 115 Cb 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 31.60 31.56 1ggw h MET 115 CO -0.12 0.59 0.04 -0.44 0.00 0.00 0.00 176.91 176.98 1ggw h ASP 116 N 0.39 0.01 -0.85 1.22 5.19 0.15 0.27 116.42 122.80 1ggw h ASP 116 Ca 0.07 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1ggw h ASP 116 Cb 0.53 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 1ggw h ASP 116 CO 0.03 0.04 0.47 -0.33 -3.12 0.00 0.00 179.24 176.33 1ggw h GLU 117 N 0.13 1.19 -0.78 3.56 5.08 -1.32 -1.08 114.58 121.37 1ggw h GLU 117 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ggw h GLU 117 Cb 0.10 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1ggw h GLU 117 CO -0.13 0.87 0.50 1.37 -1.00 0.00 0.00 179.01 180.61 1ggw h LEU 118 N 1.18 0.91 -1.03 1.33 8.10 -1.02 -2.08 115.31 122.70 1ggw h LEU 118 Ca 0.30 -0.04 -0.10 0.00 0.11 0.00 0.00 57.88 58.15 1ggw h LEU 118 Cb 0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.01 1ggw h LEU 118 CO -0.05 0.67 -0.43 -0.07 -4.11 0.00 0.00 178.44 174.46 1ggw h LEU 119 N 1.05 0.12 -0.64 0.17 3.38 -0.47 -2.80 115.31 116.13 1ggw h LEU 119 Ca 0.28 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ggw h LEU 119 Cb -0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ggw h LEU 119 CO -0.06 0.54 0.27 0.11 0.09 0.00 0.00 178.44 179.39 1ggw h LYS 120 N 0.10 0.94 -0.23 1.13 1.57 -0.52 -3.10 116.57 116.46 1ggw h LYS 120 Ca 0.01 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1ggw h LYS 120 Cb 0.80 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1ggw h LYS 120 CO 0.06 0.78 -0.18 0.78 -0.57 0.00 0.00 179.45 180.32 1ggw h GLY 121 N 0.89 0.58 -5.07 3.86 0.00 -1.36 -3.43 103.07 98.55 1ggw h GLY 121 Ca 0.22 -0.57 -0.57 0.00 0.00 0.00 0.00 47.33 46.41 1ggw h GLY 121 CO -0.02 0.51 0.34 0.14 0.00 0.00 0.00 176.54 177.51 1ggw s VAL 122 N -4.43 4.91 -1.23 4.60 1.01 -1.07 -4.96 120.40 119.24 1ggw s VAL 122 Ca -0.13 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 1ggw s VAL 122 Cb 0.07 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1ggw s VAL 122 CO 0.79 0.10 2.46 -0.81 0.00 0.00 0.00 175.10 177.63 1ggw n PRO 123 N 4.65 2.76 -4.39 2.72 -0.04 -1.26 -4.80 135.00 134.65 1ggw n PRO 123 Ca 0.04 -1.84 -0.20 0.00 -0.04 0.00 0.00 63.50 61.46 1ggw n PRO 123 Cb 0.50 -2.66 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1ggw n PRO 123 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ggw s VAL 124 N 2.98 0.75 -0.09 0.52 0.11 -1.26 -5.14 120.40 118.27 1ggw s VAL 124 Ca 0.53 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.62 1ggw s VAL 124 Cb 0.14 -2.64 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 1ggw s VAL 124 CO -0.04 0.00 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.98 1ggw s LYS 125 N -3.92 2.95 0.00 1.54 3.01 -1.26 -4.72 119.74 117.33 1ggw s LYS 125 Ca 0.35 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.48 1ggw s LYS 125 Cb 0.07 -2.34 0.00 0.00 -1.01 0.00 0.00 37.83 34.55 1ggw s LYS 125 CO 0.15 0.27 0.00 -0.25 0.51 0.00 0.00 175.35 176.03 1ggw n ASP 126 N 3.28 0.00 0.00 2.83 8.00 -1.26 -3.97 116.55 125.43 1ggw n ASP 126 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 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 0.52 3.29 0.44 0.00 -1.26 -3.27 105.19 104.90 1ggw n GLY 127 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N 0.00 2.64 0.00 1.61 0.00 -1.25 -0.50 119.30 121.80 1ggw s MET 128 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 55.69 54.39 1ggw s MET 128 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 34.83 31.16 1ggw s MET 128 CO 0.00 -0.82 0.92 0.28 0.00 0.00 0.00 175.02 175.41 1ggw n VAL 129 N 4.89 0.00 -1.69 10.11 0.31 -1.26 -4.90 118.33 125.79 1ggw n VAL 129 Ca -0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 1ggw n VAL 129 Cb 0.44 0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 33.76 1ggw n VAL 129 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ggw n ASN 130 N 0.00 -5.02 -0.34 4.52 5.15 -1.26 -4.57 115.26 113.73 1ggw n ASN 130 Ca 0.00 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 1ggw n ASN 130 Cb 0.67 -4.43 0.00 0.00 -0.53 0.00 0.00 39.78 35.49 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 -2.51 -1.21 0.00 1.20 9.36 -1.26 -4.75 117.16 117.99 1ggw n TYR 131 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1ggw n TYR 131 Cb 0.62 0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.52 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 -0.69 0.00 -0.34 2.98 8.25 -1.26 -4.46 115.22 119.70 1ggw n HIS 132 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ggw n HIS 132 Cb 0.00 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.43 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 0.78 0.28 0.41 1.82 -1.85 0.42 116.42 118.28 1ggw h ASP 133 Ca 0.00 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1ggw h ASP 133 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1ggw h ASP 133 CO 0.00 0.34 -0.13 -0.26 -1.61 0.00 0.00 179.24 177.58 1ggw h PHE 134 N 0.80 -0.35 -0.13 0.28 0.04 -1.92 -1.85 116.94 113.81 1ggw h PHE 134 Ca 0.53 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1ggw h PHE 134 Cb 0.78 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1ggw h PHE 134 CO -0.00 0.01 0.09 0.28 -0.60 0.00 0.00 178.31 178.08 1ggw h VAL 135 N -0.81 1.03 0.22 -0.55 2.07 -1.80 0.65 116.25 117.07 1ggw h VAL 135 Ca -0.04 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1ggw h VAL 135 Cb 0.51 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1ggw h VAL 135 CO 0.06 0.03 -0.11 -0.61 0.02 0.00 0.00 177.57 176.97 1ggw h GLN 136 N 0.18 -0.29 -0.34 1.57 5.75 -0.15 -1.00 115.11 120.84 1ggw h GLN 136 Ca 0.05 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1ggw h GLN 136 Cb -0.02 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1ggw h GLN 136 CO -0.01 0.08 -0.03 1.98 -2.65 0.00 0.00 178.83 178.20 1ggw h MET 137 N -0.78 0.54 -0.08 1.69 4.05 -1.11 -2.90 114.93 116.34 1ggw h MET 137 Ca -0.03 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 1ggw h MET 137 Cb 0.51 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1ggw h MET 137 CO 0.05 0.59 -0.07 0.82 0.23 0.00 0.00 176.91 178.53 1ggw h ILE 138 N 0.51 1.35 -2.01 1.77 2.04 -0.91 -3.29 117.51 116.99 1ggw h ILE 138 Ca 0.11 -1.19 -0.77 0.00 1.00 0.00 0.00 64.86 64.01 1ggw h ILE 138 Cb 0.38 1.96 -0.26 0.00 -0.74 0.00 0.00 36.82 38.16 1ggw h ILE 138 CO 0.02 0.33 1.06 0.18 0.00 0.00 0.00 178.15 179.74 1ggw n LEU 139 N -4.70 7.44 -3.21 1.44 4.32 -0.38 -4.82 117.00 117.09 1ggw n LEU 139 Ca -0.07 -4.98 0.04 0.00 -0.02 0.00 0.00 56.01 50.98 1ggw n LEU 139 Cb 0.30 -1.12 -0.02 0.00 -1.62 0.00 0.00 43.42 40.96 1ggw n LEU 139 CO 0.37 1.87 0.55 0.00 -1.22 0.00 0.00 177.39 178.95 1ggw s ALA 140 N -3.94 -3.11 0.00 -1.18 0.00 -1.10 -4.88 121.76 107.54 1ggw s ALA 140 Ca 0.48 1.64 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1ggw s ALA 140 Cb 0.34 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1ggw s ALA 140 CO -0.30 -1.31 0.09 0.09 0.00 0.00 0.00 175.76 174.33