#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 0.09 2.46 5.66 -1.26 -5.06 114.28 116.17 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 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 -2.44 -0.04 -3.69 1.09 2.03 -1.26 -5.03 116.55 107.21 1ggw n ASP 4 Ca 0.00 0.31 -0.29 0.00 0.52 0.00 0.00 54.79 55.33 1ggw n ASP 4 Cb 0.01 0.23 -0.13 0.00 -0.72 0.00 0.00 41.12 40.51 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 -4.77 3.58 0.17 1.67 1.01 -1.26 -5.00 116.67 112.07 1ggw s ASP 5 Ca 0.00 -2.65 -0.15 0.00 0.71 0.00 0.00 52.55 50.46 1ggw s ASP 5 Cb 0.00 -1.00 0.08 0.00 1.01 0.00 0.00 42.92 43.01 1ggw s ASP 5 CO 0.00 -0.26 1.80 -1.28 0.21 0.00 0.00 175.17 175.64 1ggw h SER 6 N 6.67 0.43 0.28 0.27 0.87 -1.96 0.41 113.55 120.52 1ggw h SER 6 Ca 0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ggw h SER 6 Cb 0.92 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ggw h SER 6 CO 0.47 0.31 -0.09 -0.81 -0.53 0.00 0.00 176.83 176.18 1ggw n PRO 7 N -4.84 0.82 0.05 2.24 -0.04 -1.26 -0.26 135.00 131.72 1ggw n PRO 7 Ca 0.03 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1ggw n PRO 7 Cb 0.07 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.85 -0.39 0.15 0.54 4.01 -1.06 -4.62 117.16 114.95 1ggw n TYR 8 Ca 0.16 0.07 -0.07 0.00 -0.16 0.00 0.00 57.90 57.90 1ggw n TYR 8 Cb 0.27 0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.00 -0.44 -0.43 -0.72 3.64 -0.74 -1.72 116.57 116.15 1ggw h LYS 9 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ggw h LYS 9 Cb 0.00 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1ggw h LYS 9 CO 0.00 -0.30 0.27 0.37 -2.27 0.00 0.00 179.45 177.53 1ggw h GLN 10 N -1.04 0.58 -0.56 1.90 4.15 -0.51 -2.48 115.11 117.15 1ggw h GLN 10 Ca -0.05 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1ggw h GLN 10 Cb 0.35 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 1ggw h GLN 10 CO 0.08 0.41 0.33 0.00 -1.93 0.00 0.00 178.83 177.71 1ggw h ALA 11 N 1.14 0.73 -0.74 3.38 0.00 -0.75 -2.19 119.26 120.82 1ggw h ALA 11 Ca 0.16 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ggw h ALA 11 Cb -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1ggw h ALA 11 CO -0.03 0.03 0.43 0.35 0.00 0.00 0.00 179.25 180.03 1ggw h PHE 12 N 0.64 0.80 -0.35 0.00 3.04 -1.01 -1.66 116.94 118.40 1ggw h PHE 12 Ca 0.23 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1ggw h PHE 12 Cb 0.07 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1ggw h PHE 12 CO -0.07 0.39 0.09 1.03 -2.02 0.00 0.00 178.31 177.72 1ggw h SER 13 N 0.79 0.45 -0.44 0.41 0.87 -0.97 -2.57 113.55 112.10 1ggw h SER 13 Ca 0.33 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1ggw h SER 13 Cb 0.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1ggw h SER 13 CO -0.18 0.46 0.29 -0.07 -0.53 0.00 0.00 176.83 176.80 1ggw h LEU 14 N 0.49 0.46 -3.52 2.23 3.38 -0.78 -2.30 115.31 115.28 1ggw h LEU 14 Ca 0.12 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.67 1ggw h LEU 14 Cb 0.18 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 40.61 1ggw h LEU 14 CO -0.00 0.33 0.52 0.49 0.09 0.00 0.00 178.44 179.86 1ggw n PHE 15 N -4.48 2.23 -2.11 1.13 3.72 -0.97 -4.97 117.46 112.02 1ggw n PHE 15 Ca 0.04 -1.78 -0.42 0.00 -0.05 0.00 0.00 57.45 55.24 1ggw n PHE 15 Cb 0.10 -0.89 -0.03 0.00 -0.94 0.00 0.00 39.48 37.72 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 -0.67 6.76 -0.00 4.37 -4.77 -0.87 -4.75 116.67 116.75 1ggw s ASP 16 Ca 0.42 2.38 -0.19 0.00 -3.30 0.00 0.00 52.55 51.87 1ggw s ASP 16 Cb 0.35 -2.58 -0.11 0.00 -1.09 0.00 0.00 42.92 39.49 1ggw s ASP 16 CO 0.05 -0.71 0.91 -0.09 0.70 0.00 0.00 175.17 176.03 1ggw h ARG 17 N 6.95 -0.66 0.00 2.11 9.65 -1.92 -3.39 114.38 127.12 1ggw h ARG 17 Ca -0.42 0.05 -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 29.81 1ggw h ARG 17 CO 0.88 -0.44 -0.57 0.72 2.80 0.00 0.00 179.97 183.35 1ggw n HIS 18 N -4.71 0.00 -3.20 2.20 8.25 -1.26 -4.99 115.22 111.51 1ggw n HIS 18 Ca -0.09 -0.74 -0.17 0.00 -0.26 0.00 0.00 57.72 56.47 1ggw n HIS 18 Cb 0.27 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.41 -0.13 0.04 -1.41 0.00 -1.26 -4.93 105.19 97.09 1ggw n GLY 19 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.27 0.48 0.00 2.61 -2.24 -1.26 -5.01 114.28 104.58 1ggw n THR 20 Ca -0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1ggw n THR 20 Cb 0.55 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.76 1.33 3.34 3.38 0.00 -1.26 -5.12 105.19 108.62 1ggw n GLY 21 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 1.33 -0.01 1.61 0.52 -1.26 -3.62 118.95 117.16 1ggw s ARG 22 Ca 0.00 -1.64 -0.00 0.00 -0.52 0.00 0.00 55.73 53.57 1ggw s ARG 22 Cb 0.00 -0.85 0.02 0.00 0.52 0.00 0.00 34.95 34.64 1ggw s ARG 22 CO 0.00 0.03 0.02 0.96 0.02 0.00 0.00 175.30 176.33 1ggw s ILE 23 N -3.21 -0.04 0.75 1.52 -4.36 -0.83 -3.52 121.20 111.51 1ggw s ILE 23 Ca 0.25 0.14 -0.07 0.00 -0.26 0.00 0.00 60.65 60.70 1ggw s ILE 23 Cb 0.03 -0.06 0.09 0.00 1.25 0.00 0.00 42.46 43.78 1ggw s ILE 23 CO 0.07 0.06 1.06 -2.16 0.24 0.00 0.00 174.94 174.21 1ggw s PRO 24 N 0.68 1.87 0.34 0.37 0.04 -1.26 -2.46 135.00 134.58 1ggw s PRO 24 Ca -0.06 -0.41 0.14 0.00 0.04 0.00 0.00 61.00 60.71 1ggw s PRO 24 Cb -0.08 -2.14 1.08 0.00 0.04 0.00 0.00 34.50 33.40 1ggw s PRO 24 CO -0.02 -1.46 1.64 1.57 0.04 0.00 0.00 177.00 178.77 1ggw h LYS 25 N -0.76 0.21 -0.69 4.56 2.10 -1.93 0.24 116.57 120.29 1ggw h LYS 25 Ca -0.43 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1ggw h LYS 25 Cb 1.30 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1ggw h LYS 25 CO 0.54 0.14 0.46 1.79 -2.00 0.00 0.00 179.45 180.37 1ggw h THR 26 N 0.22 1.18 -0.14 0.07 1.35 -1.95 -1.96 112.91 111.68 1ggw h THR 26 Ca 0.73 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 66.18 1ggw h THR 26 Cb 1.71 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1ggw h THR 26 CO -0.67 0.17 -0.23 0.28 -0.25 0.00 0.00 175.52 174.83 1ggw h SER 27 N 0.94 0.44 -0.42 5.36 0.02 -0.91 -3.18 113.55 115.80 1ggw h SER 27 Ca 0.25 -0.53 0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1ggw h SER 27 Cb -0.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1ggw h SER 27 CO -0.05 0.89 0.29 0.40 -1.14 0.00 0.00 176.83 177.21 1ggw h ILE 28 N 0.01 0.99 0.16 3.27 1.08 -1.17 -0.19 117.51 121.67 1ggw h ILE 28 Ca 0.01 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1ggw h ILE 28 Cb 0.80 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1ggw h ILE 28 CO 0.05 0.07 -0.12 1.23 -0.69 0.00 0.00 178.15 178.69 1ggw h GLY 29 N 0.38 -0.69 2.00 5.37 0.00 -1.33 -0.11 103.07 108.70 1ggw h GLY 29 Ca 0.18 0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 1ggw h GLY 29 CO -0.04 -0.24 -0.18 1.29 0.00 0.00 0.00 176.54 177.37 1ggw h ASP 30 N -0.28 0.00 -0.30 0.19 3.04 -1.61 -2.64 116.42 114.82 1ggw h ASP 30 Ca -0.02 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 1ggw h ASP 30 Cb 0.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 1ggw h ASP 30 CO 0.01 0.18 0.17 0.25 -2.04 0.00 0.00 179.24 177.80 1ggw h LEU 31 N 0.00 0.37 -1.41 0.15 5.85 -0.86 -2.27 115.31 117.13 1ggw h LEU 31 Ca -0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1ggw h LEU 31 Cb 0.36 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1ggw h LEU 31 CO 0.02 0.34 0.22 -0.07 -0.34 0.00 0.00 178.44 178.62 1ggw h LEU 32 N 0.37 0.55 -0.93 2.25 3.38 -0.65 -2.39 115.31 117.88 1ggw h LEU 32 Ca 0.10 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1ggw h LEU 32 Cb 0.05 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 1ggw h LEU 32 CO -0.02 0.47 0.55 -0.09 0.09 0.00 0.00 178.44 179.44 1ggw h ARG 33 N 0.63 0.79 -0.38 1.13 9.65 -1.03 -0.40 114.38 124.77 1ggw h ARG 33 Ca 0.16 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1ggw h ARG 33 Cb 0.05 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1ggw h ARG 33 CO -0.02 0.52 0.04 0.00 2.80 0.00 0.00 179.97 183.31 1ggw h ALA 34 N 1.55 1.36 -1.00 2.80 0.00 -1.34 -2.86 119.26 119.77 1ggw h ALA 34 Ca 0.49 -0.19 -0.71 0.00 0.00 0.00 0.00 54.91 54.50 1ggw h ALA 34 Cb 0.60 -0.16 -0.29 0.00 0.00 0.00 0.00 17.79 17.94 1ggw h ALA 34 CO -0.31 0.45 0.87 0.00 0.00 0.00 0.00 179.25 180.26 1ggw n GLY 36 N -0.75 1.54 3.38 0.00 0.00 -1.08 -5.00 105.19 103.28 1ggw n GLY 36 Ca 0.58 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.08 1.61 -0.21 -1.19 -4.74 119.66 116.60 1ggw s GLN 37 Ca 0.00 -1.85 0.04 0.00 0.02 0.00 0.00 55.36 53.58 1ggw s GLN 37 Cb 0.00 -0.52 -0.00 0.00 1.00 0.00 0.00 33.01 33.49 1ggw s GLN 37 CO 0.00 -0.26 -0.21 0.54 -2.12 0.00 0.00 175.29 173.24 1ggw s ASN 38 N -3.40 2.71 0.23 5.90 2.20 -1.26 -2.37 114.94 118.95 1ggw s ASN 38 Ca 0.37 -0.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.82 1ggw s ASN 38 Cb 0.08 -1.06 0.00 0.00 -2.00 0.00 0.00 41.25 38.27 1ggw s ASN 38 CO 0.15 0.15 0.00 -0.81 -2.94 0.00 0.00 177.10 173.65 1ggw n PRO 39 N 3.39 1.16 -3.49 3.55 -0.04 -1.26 -4.96 135.00 133.34 1ggw n PRO 39 Ca -0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.06 1ggw n PRO 39 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.26 4.46 0.36 0.52 -4.23 -1.26 -4.94 115.64 110.80 1ggw s THR 40 Ca 0.00 -0.85 0.12 0.00 -1.18 0.00 0.00 61.69 59.78 1ggw s THR 40 Cb 0.00 -3.58 0.34 0.00 1.34 0.00 0.00 72.50 70.60 1ggw s THR 40 CO 0.00 -0.27 1.81 -0.07 -0.54 0.00 0.00 174.62 175.55 1ggw h LEU 41 N 0.85 0.60 -0.75 4.79 -0.00 -1.98 0.11 115.31 118.94 1ggw h LEU 41 Ca -0.48 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1ggw h LEU 41 Cb 1.25 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.83 1ggw h LEU 41 CO 0.56 0.22 0.40 0.00 -0.00 0.00 0.00 178.44 179.63 1ggw h ALA 42 N 1.62 0.96 0.49 1.53 0.00 -1.90 -1.01 119.26 120.96 1ggw h ALA 42 Ca 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ggw h ALA 42 Cb 1.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ggw h ALA 42 CO -0.28 0.49 -0.24 1.49 0.00 0.00 0.00 179.25 180.71 1ggw h GLU 43 N 1.04 -0.63 -0.38 0.00 4.22 -1.13 0.26 114.58 117.96 1ggw h GLU 43 Ca 0.26 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.80 1ggw h GLU 43 Cb 0.06 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1ggw h GLU 43 CO -0.04 -0.39 0.09 -0.84 -2.18 0.00 0.00 179.01 175.64 1ggw h ILE 44 N -0.72 0.82 -0.86 2.32 -2.65 -1.33 -1.27 117.51 113.83 1ggw h ILE 44 Ca -0.07 -0.07 0.05 0.00 1.03 0.00 0.00 64.86 65.80 1ggw h ILE 44 Cb 0.53 0.58 -0.06 0.00 -2.05 0.00 0.00 36.82 35.83 1ggw h ILE 44 CO 0.11 0.04 0.54 0.74 0.03 0.00 0.00 178.15 179.61 1ggw h THR 45 N 0.22 1.07 -0.95 0.16 2.02 -1.10 -1.37 112.91 112.95 1ggw h THR 45 Ca 0.18 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1ggw h THR 45 Cb 0.20 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 1ggw h THR 45 CO -0.23 0.18 0.60 -0.33 0.37 0.00 0.00 175.52 176.11 1ggw h GLU 46 N 0.99 1.04 0.09 6.66 3.07 0.17 -1.64 114.58 124.96 1ggw h GLU 46 Ca 0.36 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1ggw h GLU 46 Cb 0.13 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1ggw h GLU 46 CO -0.16 0.69 -0.04 0.82 -1.40 0.00 0.00 179.01 178.91 1ggw h ILE 47 N 1.07 1.00 -0.13 3.13 2.04 -0.40 -2.38 117.51 121.84 1ggw h ILE 47 Ca 0.42 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1ggw h ILE 47 Cb 0.22 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1ggw h ILE 47 CO -0.19 0.08 0.21 -0.33 0.00 0.00 0.00 178.15 177.91 1ggw h GLU 48 N -0.26 0.00 0.00 2.37 5.08 -0.78 -1.33 114.58 119.66 1ggw h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ggw h GLU 48 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ggw h GLU 48 CO 0.02 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.48 1ggw n SER 49 N -3.49 0.00 -0.01 1.42 2.88 -0.67 -3.35 113.62 110.40 1ggw n SER 49 Ca 0.00 0.33 -0.02 0.00 -1.33 0.00 0.00 58.87 57.85 1ggw n SER 49 Cb 0.31 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.38 0.13 -2.97 2.46 -2.24 -0.51 -5.06 114.28 104.72 1ggw n THR 50 Ca 0.02 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1ggw n THR 50 Cb 0.06 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.10 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 -5.75 3.85 0.36 3.22 2.01 -1.18 -5.02 118.68 116.17 1ggw s LEU 51 Ca -0.03 0.91 -0.21 0.00 0.01 0.00 0.00 54.13 54.81 1ggw s LEU 51 Cb 0.01 -3.79 -0.15 0.00 0.01 0.00 0.00 46.19 42.27 1ggw s LEU 51 CO 0.05 -0.38 0.12 -2.65 1.01 0.00 0.00 176.35 174.49 1ggw n PRO 52 N -1.50 0.00 -0.02 1.29 -0.02 -1.26 -4.71 135.00 128.78 1ggw n PRO 52 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 1ggw n PRO 52 Cb 0.54 -0.95 -0.00 0.00 -0.02 0.00 0.00 33.50 33.07 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 -0.87 -0.03 -2.70 3.55 0.00 -1.26 -4.01 120.51 115.19 1ggw n ALA 53 Ca 0.11 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1ggw n ALA 53 Cb 0.37 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.23 4.39 -1.02 0.00 2.12 -1.26 -4.94 118.70 114.75 1ggw s GLU 54 Ca -0.01 0.92 -0.19 0.00 0.36 0.00 0.00 54.97 56.06 1ggw s GLU 54 Cb 0.01 -3.49 0.11 0.00 0.26 0.00 0.00 34.13 31.02 1ggw s GLU 54 CO 0.03 -0.08 1.29 0.08 -0.54 0.00 0.00 175.26 176.05 1ggw s VAL 55 N 1.27 4.55 0.91 3.70 1.01 -1.03 -4.81 120.40 126.00 1ggw s VAL 55 Ca 0.38 -1.58 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1ggw s VAL 55 Cb -0.17 -4.90 0.18 0.00 0.00 0.00 0.00 36.38 31.49 1ggw s VAL 55 CO 0.17 -1.66 1.25 1.51 0.00 0.00 0.00 175.10 176.36 1ggw s ASP 56 N 3.86 3.42 0.31 3.32 1.47 -1.26 -1.96 116.67 125.83 1ggw s ASP 56 Ca 0.39 0.17 0.05 0.00 1.18 0.00 0.00 52.55 54.33 1ggw s ASP 56 Cb -0.03 -0.30 0.83 0.00 -0.34 0.00 0.00 42.92 43.08 1ggw s ASP 56 CO -0.07 -2.52 1.59 -0.03 0.68 0.00 0.00 175.17 174.82 1ggw h MET 57 N -1.40 0.05 0.10 2.11 4.05 -1.95 0.17 114.93 118.06 1ggw h MET 57 Ca -0.43 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1ggw h MET 57 Cb 1.24 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1ggw h MET 57 CO 0.40 0.03 -0.05 1.49 0.23 0.00 0.00 176.91 179.02 1ggw h GLU 58 N 0.05 -0.12 0.00 0.39 4.81 -1.91 -1.58 114.58 116.21 1ggw h GLU 58 Ca 0.62 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.88 1ggw h GLU 58 Cb 1.35 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1ggw h GLU 58 CO -0.83 0.25 -0.13 1.96 -0.73 0.00 0.00 179.01 179.53 1ggw h GLN 59 N -0.52 -0.21 -0.11 1.92 7.50 -1.36 0.63 115.11 122.97 1ggw h GLN 59 Ca -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.43 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1ggw h GLN 59 CO 0.02 -0.14 0.07 0.35 -1.50 0.00 0.00 178.83 177.63 1ggw h PHE 60 N -0.21 0.14 -0.25 2.96 3.57 -0.83 -2.48 116.94 119.83 1ggw h PHE 60 Ca 0.05 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.27 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1ggw h PHE 60 CO -0.18 0.13 0.11 -0.07 -2.23 0.00 0.00 178.31 176.07 1ggw h LEU 61 N 0.11 0.30 0.17 0.59 3.38 -1.12 -0.25 115.31 118.48 1ggw h LEU 61 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ggw h LEU 61 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ggw h LEU 61 CO -0.01 0.26 -0.08 -0.61 0.09 0.00 0.00 178.44 178.10 1ggw h GLN 62 N 0.34 -0.22 -0.29 1.13 -0.00 -0.43 0.10 115.11 115.75 1ggw h GLN 62 Ca 0.09 0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.61 1ggw h GLN 62 Cb 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 1ggw h GLN 62 CO -0.01 -0.08 -0.38 -0.39 0.00 0.00 0.00 178.83 177.97 1ggw h VAL 63 N -0.30 1.30 -0.70 2.39 -1.51 -1.25 -2.92 116.25 113.25 1ggw h VAL 63 Ca -0.02 -1.56 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1ggw h VAL 63 Cb 0.23 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 1ggw h VAL 63 CO 0.04 0.50 0.42 0.25 -1.23 0.00 0.00 177.57 177.55 1ggw h LEU 64 N 0.52 0.85 -4.95 4.19 5.85 -1.00 -2.94 115.31 117.82 1ggw h LEU 64 Ca 0.03 -0.07 -0.72 0.00 0.84 0.00 0.00 57.88 57.96 1ggw h LEU 64 Cb 0.97 -0.21 -0.31 0.00 0.37 0.00 0.00 40.66 41.47 1ggw h LEU 64 CO 0.09 0.67 0.60 0.59 -0.34 0.00 0.00 178.44 180.04 1ggw n ASN 65 N -4.53 6.78 0.33 1.25 3.02 0.35 -4.63 115.26 117.83 1ggw n ASN 65 Ca 0.06 -3.80 -0.18 0.00 -0.03 0.00 0.00 54.58 50.63 1ggw n ASN 65 Cb 0.06 -0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 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 2.96 -0.93 -0.80 3.52 3.08 -1.33 -2.63 114.38 118.25 1ggw h ARG 66 Ca 0.49 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1ggw h ARG 66 Cb 0.26 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1ggw h ARG 66 CO 1.27 -0.62 0.00 -0.35 -1.07 0.00 0.00 179.97 179.20 1ggw n PRO 67 N -5.54 2.17 -3.01 0.04 -0.04 -1.26 -4.95 135.00 122.42 1ggw n PRO 67 Ca -0.12 -0.99 -0.14 0.00 -0.04 0.00 0.00 63.50 62.21 1ggw n PRO 67 Cb 0.43 -1.68 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.20 -7.28 0.00 3.54 5.15 -0.99 -4.99 115.26 110.88 1ggw n ASN 68 Ca 0.09 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1ggw n ASN 68 Cb 0.51 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 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 0.01 -1.10 3.28 8.20 0.00 -1.26 -5.12 105.19 109.19 1ggw n GLY 69 Ca 0.04 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1ggw n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggw s PHE 70 N -2.99 1.57 -0.89 1.61 0.08 -1.26 -4.75 117.98 111.35 1ggw s PHE 70 Ca 0.00 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 1ggw s PHE 70 Cb 0.00 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1ggw s PHE 70 CO 0.00 0.21 0.77 -0.25 -0.10 0.00 0.00 175.22 175.85 1ggw n ASP 71 N 0.51 -6.89 0.00 1.36 9.92 -1.26 -4.80 116.55 115.39 1ggw n ASP 71 Ca -0.15 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.64 1ggw n ASP 71 Cb 0.57 -4.73 0.00 0.00 -0.64 0.00 0.00 41.12 36.31 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 -2.61 0.00 -0.31 -1.24 0.00 -1.26 -4.94 117.12 106.76 1ggw n MET 72 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.63 1ggw n MET 72 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.84 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ggw h PRO 73 N 0.00 -0.04 -0.25 2.12 0.11 -1.86 -3.32 132.00 128.75 1ggw h PRO 73 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 1ggw h PRO 73 Cb 0.00 0.01 -0.24 0.00 0.11 0.00 0.00 31.00 30.88 1ggw h PRO 73 CO 0.00 -0.03 -0.60 0.41 -0.21 0.00 0.00 178.00 177.57 1ggw n GLY 74 N -1.49 1.65 3.85 -0.55 0.00 -1.26 -4.95 105.19 102.44 1ggw n GLY 74 Ca 0.09 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.94 6.60 0.27 1.61 1.11 -1.25 -4.98 116.67 118.08 1ggw s ASP 75 Ca 0.20 1.51 -0.04 0.00 0.18 0.00 0.00 52.55 54.39 1ggw s ASP 75 Cb 0.41 -2.48 0.34 0.00 1.07 0.00 0.00 42.92 42.26 1ggw s ASP 75 CO -0.07 -0.57 1.93 -0.65 1.18 0.00 0.00 175.17 176.99 1ggw h PRO 76 N 0.92 1.23 -0.01 8.23 0.11 -2.00 -2.02 132.00 138.45 1ggw h PRO 76 Ca -0.47 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1ggw h PRO 76 Cb 1.19 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ggw h PRO 76 CO 0.62 0.81 -0.28 1.49 -0.21 0.00 0.00 178.00 180.43 1ggw h GLU 77 N 1.26 0.01 -0.13 1.05 4.81 -1.99 -2.40 114.58 117.19 1ggw h GLU 77 Ca 0.37 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1ggw h GLU 77 Cb -0.08 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1ggw h GLU 77 CO -0.10 0.30 -0.05 1.49 -0.73 0.00 0.00 179.01 179.92 1ggw h GLU 78 N 0.01 0.26 -0.82 1.92 4.22 -1.71 -1.73 114.58 116.73 1ggw h GLU 78 Ca -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 1ggw h GLU 78 Cb 0.51 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1ggw h GLU 78 CO 0.04 0.58 0.41 0.27 -2.18 0.00 0.00 179.01 178.12 1ggw h PHE 79 N -0.07 1.17 -0.01 0.92 -5.15 -1.37 0.15 116.94 112.57 1ggw h PHE 79 Ca 0.03 -0.05 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 1ggw h PHE 79 Cb 0.49 -0.36 -0.00 0.00 0.22 0.00 0.00 35.95 36.29 1ggw h PHE 79 CO 0.06 0.84 0.00 0.28 -2.00 0.00 0.00 178.31 177.49 1ggw h VAL 80 N 1.16 1.07 0.00 0.88 2.07 -1.39 -2.64 116.25 117.40 1ggw h VAL 80 Ca 0.28 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1ggw h VAL 80 Cb 0.10 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ggw h VAL 80 CO -0.04 0.06 -0.25 0.11 0.02 0.00 0.00 177.57 177.47 1ggw h LYS 81 N -0.08 0.00 0.03 1.57 6.56 -1.14 -1.91 116.57 121.61 1ggw h LYS 81 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ggw h LYS 81 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1ggw h LYS 81 CO -0.00 0.25 -0.01 0.78 -2.06 0.00 0.00 179.45 178.40 1ggw h GLY 82 N 1.27 -0.04 1.38 3.86 0.00 -0.62 -1.06 103.07 107.86 1ggw h GLY 82 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 1ggw h GLY 82 CO 0.03 -0.02 -0.71 0.74 0.00 0.00 0.00 176.54 176.59 1ggw h PHE 83 N -0.28 0.82 0.00 5.60 0.04 -1.45 -3.03 116.94 118.64 1ggw h PHE 83 Ca -0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ggw h PHE 83 Cb 0.26 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1ggw h PHE 83 CO 0.01 1.14 0.00 1.04 -0.60 0.00 0.00 178.31 179.89 1ggw n GLN 84 N -3.91 0.96 -0.24 1.51 6.02 -0.72 -3.70 117.38 117.30 1ggw n GLN 84 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1ggw n GLN 84 Cb 0.70 -1.26 0.12 0.00 1.02 0.00 0.00 30.24 30.82 1ggw n GLN 84 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1ggw h VAL 85 N 0.00 0.91 -0.11 5.09 3.04 -1.06 -3.33 116.25 120.80 1ggw h VAL 85 Ca 0.00 -0.23 -0.19 0.00 -1.01 0.00 0.00 66.70 65.28 1ggw h VAL 85 Cb 0.00 0.19 -0.32 0.00 -2.01 0.00 0.00 31.29 29.15 1ggw h VAL 85 CO 0.00 0.12 -0.84 0.49 -1.01 0.00 0.00 177.57 176.33 1ggw n PHE 86 N -4.81 0.11 -3.50 3.17 3.72 -1.26 -4.99 117.46 109.91 1ggw n PHE 86 Ca 0.10 -1.05 -0.27 0.00 -0.05 0.00 0.00 57.45 56.19 1ggw n PHE 86 Cb 0.22 0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.09 1.38 -0.01 4.37 8.00 -1.24 -4.96 116.55 123.99 1ggw n ASP 87 Ca -0.02 -2.86 -0.11 0.00 0.71 0.00 0.00 54.79 52.50 1ggw n ASP 87 Cb 0.95 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1ggw h LYS 88 N 4.97 0.13 0.00 -1.24 1.79 -1.90 -3.38 116.57 116.94 1ggw h LYS 88 Ca 0.18 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1ggw h LYS 88 Cb 0.82 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1ggw h LYS 88 CO 0.57 0.19 -0.35 -3.47 -1.08 0.00 0.00 179.45 175.30 1ggw n ASP 89 N -4.97 1.09 -3.87 0.86 2.03 -1.26 -5.01 116.55 105.43 1ggw n ASP 89 Ca -0.06 0.43 -0.27 0.00 0.52 0.00 0.00 54.79 55.42 1ggw n ASP 89 Cb 0.08 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ggw n ALA 90 N -3.18 -2.17 -0.12 -1.67 0.00 -1.26 -4.92 120.51 107.19 1ggw n ALA 90 Ca -0.05 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 1ggw n ALA 90 Cb 0.18 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.32 1ggw n ALA 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ggw n THR 91 N -4.36 1.31 -1.34 0.00 -2.24 -1.26 -4.68 114.28 101.72 1ggw n THR 91 Ca -0.25 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1ggw n THR 91 Cb 0.66 -1.72 0.20 0.00 -2.10 0.00 0.00 70.33 67.37 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 92 N 1.67 4.82 3.62 3.38 0.00 -1.26 -4.98 105.19 112.44 1ggw n GLY 92 Ca -0.46 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.10 0.28 -0.03 1.61 0.23 -1.26 -4.61 119.30 112.42 1ggw s MET 93 Ca 0.40 0.10 -0.00 0.00 -1.03 0.00 0.00 55.69 55.15 1ggw s MET 93 Cb 0.36 0.13 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1ggw s MET 93 CO 0.00 -0.08 -0.03 1.51 -2.03 0.00 0.00 175.02 174.39 1ggw n ILE 94 N 0.78 0.14 -2.25 3.16 0.00 -1.26 -4.45 119.36 115.48 1ggw n ILE 94 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 62.75 62.61 1ggw n ILE 94 Cb 0.58 -0.99 0.00 0.00 0.00 0.00 0.00 39.64 39.24 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 3.15 -1.35 0.48 4.50 0.00 -1.14 -4.74 105.19 106.10 1ggw n GLY 95 Ca -0.05 0.61 0.35 0.00 0.00 0.00 0.00 46.02 46.93 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 1.19 0.24 -1.06 1.61 2.07 -0.86 0.46 116.25 119.90 1ggw h VAL 96 Ca 0.00 -0.05 0.28 0.00 0.82 0.00 0.00 66.70 67.75 1ggw h VAL 96 Cb 0.50 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.26 1ggw h VAL 96 CO 0.11 0.03 0.69 1.23 0.02 0.00 0.00 177.57 179.64 1ggw h GLY 97 N 0.14 1.09 0.45 2.17 0.00 -1.77 0.29 103.07 105.44 1ggw h GLY 97 Ca 0.75 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.76 1ggw h GLY 97 CO -0.30 -0.13 -0.61 0.83 0.00 0.00 0.00 176.54 176.32 1ggw h GLU 98 N 0.34 0.19 -1.00 4.80 5.08 -1.19 -2.20 114.58 120.61 1ggw h GLU 98 Ca 0.60 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1ggw h GLU 98 Cb 1.61 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.93 1ggw h GLU 98 CO -0.27 1.16 0.66 1.37 -1.00 0.00 0.00 179.01 180.93 1ggw h LEU 99 N -0.58 1.11 -0.22 1.33 8.10 -1.27 -2.15 115.31 121.62 1ggw h LEU 99 Ca -0.11 -0.02 -0.22 0.00 0.11 0.00 0.00 57.88 57.64 1ggw h LEU 99 Cb 1.44 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 1ggw h LEU 99 CO 0.09 0.77 -0.88 0.08 -4.11 0.00 0.00 178.44 174.39 1ggw h ARG 100 N 1.29 0.45 -0.97 0.17 -0.00 -0.60 -2.12 114.38 112.60 1ggw h ARG 100 Ca 0.39 -0.45 0.15 0.00 -0.00 0.00 0.00 59.98 60.08 1ggw h ARG 100 Cb -0.04 0.12 -0.10 0.00 -0.00 0.00 0.00 29.97 29.95 1ggw h ARG 100 CO -0.11 1.09 0.58 -0.92 -0.00 0.00 0.00 179.97 180.61 1ggw h TYR 101 N 0.28 1.04 0.00 4.08 3.20 -0.74 0.44 116.97 125.26 1ggw h TYR 101 Ca -0.07 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1ggw h TYR 101 Cb 1.50 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1ggw h TYR 101 CO 0.06 0.31 -0.27 0.28 -1.64 0.00 0.00 178.16 176.90 1ggw h VAL 102 N 0.83 1.36 -0.10 1.81 2.07 -1.49 -3.22 116.25 117.50 1ggw h VAL 102 Ca 0.52 -2.12 0.02 0.00 0.82 0.00 0.00 66.70 65.94 1ggw h VAL 102 Cb 0.69 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1ggw h VAL 102 CO -0.33 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.64 1ggw h LEU 103 N -1.00 -0.06 -1.08 2.57 3.38 -1.17 -1.31 115.31 116.64 1ggw h LEU 103 Ca -0.07 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ggw h LEU 103 Cb 0.93 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1ggw h LEU 103 CO -0.04 -0.02 0.62 0.74 0.09 0.00 0.00 178.44 179.83 1ggw h THR 104 N 0.02 1.22 0.00 0.22 2.02 -0.31 -1.45 112.91 114.63 1ggw h THR 104 Ca 0.05 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1ggw h THR 104 Cb 0.06 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1ggw h THR 104 CO -0.09 0.23 0.00 -1.28 0.37 0.00 0.00 175.52 174.75 1ggw h SER 105 N 1.25 0.00 0.25 4.18 0.87 -1.49 -2.09 113.55 116.52 1ggw h SER 105 Ca 0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1ggw h SER 105 Cb -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1ggw h SER 105 CO -0.08 0.00 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.03 1ggw h LEU 106 N 0.00 -0.28 -5.01 2.23 3.38 -0.12 -3.44 115.31 112.07 1ggw h LEU 106 Ca 0.00 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1ggw h LEU 106 Cb 0.60 0.07 -0.19 0.00 0.09 0.00 0.00 40.66 41.24 1ggw h LEU 106 CO 0.00 -0.16 -0.46 0.61 0.09 0.00 0.00 178.44 178.52 1ggw n GLY 107 N -0.38 1.50 3.32 0.83 0.00 -1.21 -4.83 105.19 104.40 1ggw n GLY 107 Ca -0.04 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1ggw n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggw n GLU 108 N -0.71 -6.62 0.00 1.61 -0.58 -0.79 -5.02 120.64 108.53 1ggw n GLU 108 Ca -0.04 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1ggw n GLU 108 Cb 0.85 -5.61 0.00 0.00 -0.57 0.00 0.00 31.44 26.11 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ggw n LYS 109 N -4.20 2.65 -1.99 3.49 4.76 -1.21 -4.64 118.16 117.03 1ggw n LYS 109 Ca -0.15 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.00 1ggw n LYS 109 Cb 0.61 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.74 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 3.08 0.00 -0.35 4.77 -1.26 -4.81 117.00 118.43 1ggw n LEU 110 Ca 0.00 -3.14 -0.09 0.00 -0.03 0.00 0.00 56.01 52.75 1ggw n LEU 110 Cb 0.00 -1.70 0.08 0.00 -2.33 0.00 0.00 43.42 39.48 1ggw n LEU 110 CO 0.00 -1.80 0.15 -1.54 -1.33 0.00 0.00 177.39 172.87 1ggw n SER 111 N 14.14 -2.01 -0.24 -1.43 3.41 -1.26 -4.54 113.62 121.68 1ggw n SER 111 Ca 0.45 -0.49 0.19 0.00 -0.26 0.00 0.00 58.87 58.77 1ggw n SER 111 Cb 0.46 -0.31 0.52 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.02 0.40 0.51 4.04 -1.07 -1.96 -2.46 115.58 113.03 1ggw h ASN 112 Ca -0.12 0.04 -0.03 0.00 0.07 0.00 0.00 56.30 56.26 1ggw h ASN 112 Cb 0.40 -0.03 0.01 0.00 -2.07 0.00 0.00 38.32 36.62 1ggw h ASN 112 CO 0.08 0.16 -0.25 -0.08 0.07 0.00 0.00 177.43 177.41 1ggw h GLU 113 N 0.40 -0.66 -0.13 4.14 4.81 -1.97 0.43 114.58 121.59 1ggw h GLU 113 Ca 0.47 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.79 1ggw h GLU 113 Cb 1.19 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 1ggw h GLU 113 CO -0.18 -0.40 -0.12 1.49 -0.73 0.00 0.00 179.01 179.07 1ggw h GLU 114 N -0.77 -0.13 0.00 1.92 4.57 -1.75 -1.50 114.58 116.92 1ggw h GLU 114 Ca -0.07 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1ggw h GLU 114 Cb 0.56 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1ggw h GLU 114 CO 0.12 -0.09 -0.26 0.00 -1.18 0.00 0.00 179.01 177.60 1ggw h MET 115 N -0.13 0.00 -0.34 1.92 -0.00 -1.46 -2.77 114.93 112.14 1ggw h MET 115 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.82 1ggw h MET 115 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.83 1ggw h MET 115 CO -0.21 0.26 0.16 -0.44 -0.00 0.00 0.00 176.91 176.67 1ggw h ASP 116 N 0.00 0.23 -0.34 -0.10 5.19 0.93 0.50 116.42 122.83 1ggw h ASP 116 Ca -0.00 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1ggw h ASP 116 Cb 0.54 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1ggw h ASP 116 CO 0.03 0.17 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.88 1ggw h GLU 117 N 0.33 0.67 -0.67 3.56 4.39 -1.34 -1.35 114.58 120.17 1ggw h GLU 117 Ca 0.15 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ggw h GLU 117 Cb 0.07 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1ggw h GLU 117 CO -0.11 0.86 0.43 1.37 -1.16 0.00 0.00 179.01 180.39 1ggw h LEU 118 N 0.45 0.79 -1.02 1.33 8.10 -1.19 -2.29 115.31 121.49 1ggw h LEU 118 Ca 0.08 -0.04 -0.10 0.00 0.11 0.00 0.00 57.88 57.93 1ggw h LEU 118 Cb 0.63 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1ggw h LEU 118 CO 0.04 0.60 -0.34 -0.07 -4.11 0.00 0.00 178.44 174.56 1ggw h LEU 119 N 0.92 0.27 -0.74 0.17 3.38 0.07 -2.29 115.31 117.10 1ggw h LEU 119 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 119 Cb -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1ggw h LEU 119 CO -0.05 0.61 0.37 0.50 0.09 0.00 0.00 178.44 179.96 1ggw h LYS 120 N 0.23 1.05 -0.11 1.13 3.64 -0.68 -3.10 116.57 118.74 1ggw h LYS 120 Ca 0.03 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1ggw h LYS 120 Cb 0.72 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ggw h LYS 120 CO 0.05 0.81 -0.42 0.78 -2.27 0.00 0.00 179.45 178.40 1ggw h GLY 121 N 1.03 0.53 -4.21 5.01 0.00 -1.31 -3.44 103.07 100.67 1ggw h GLY 121 Ca 0.25 -0.71 -0.52 0.00 0.00 0.00 0.00 47.33 46.35 1ggw h GLY 121 CO -0.03 0.64 0.39 0.14 0.00 0.00 0.00 176.54 177.67 1ggw s VAL 122 N -3.74 4.48 -1.49 4.60 1.01 -0.87 -4.95 120.40 119.43 1ggw s VAL 122 Ca -0.13 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 1ggw s VAL 122 Cb 0.05 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1ggw s VAL 122 CO 0.81 0.26 2.81 -0.81 0.00 0.00 0.00 175.10 178.17 1ggw n PRO 123 N 3.11 3.40 -4.43 2.72 -0.04 -1.26 -4.80 135.00 133.71 1ggw n PRO 123 Ca 0.04 -2.06 -0.22 0.00 -0.04 0.00 0.00 63.50 61.22 1ggw n PRO 123 Cb 0.49 -2.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 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 2.39 0.68 -0.38 0.52 -7.23 -1.26 -5.07 120.40 110.05 1ggw s VAL 124 Ca 0.64 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1ggw s VAL 124 Cb 0.17 -2.54 0.44 0.00 0.56 0.00 0.00 36.38 35.01 1ggw s VAL 124 CO -0.05 0.00 1.07 0.29 -0.31 0.00 0.00 175.10 176.10 1ggw n LYS 125 N -0.72 2.65 0.00 4.82 4.01 -1.26 -4.75 118.16 122.91 1ggw n LYS 125 Ca -0.03 -4.03 0.00 0.00 -0.51 0.00 0.00 58.31 53.75 1ggw n LYS 125 Cb 0.65 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1ggw n ASP 126 N -0.39 0.00 0.00 4.39 5.75 -1.26 -5.03 116.55 120.02 1ggw n ASP 126 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1ggw n ASP 126 Cb 0.75 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggw n GLY 127 N 0.00 0.81 3.45 6.12 0.00 -1.26 -2.35 105.19 111.96 1ggw n GLY 127 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N 0.33 3.27 0.00 1.61 0.00 -1.26 -0.86 119.30 122.39 1ggw s MET 128 Ca 0.00 -0.78 0.16 0.00 0.00 0.00 0.00 55.69 55.07 1ggw s MET 128 Cb 0.00 -3.65 0.26 0.00 0.00 0.00 0.00 34.83 31.43 1ggw s MET 128 CO 0.00 -0.48 1.08 0.28 0.00 0.00 0.00 175.02 175.90 1ggw n VAL 129 N 5.01 0.00 -1.88 10.11 0.31 -1.26 -4.90 118.33 125.72 1ggw n VAL 129 Ca -0.13 -0.60 -0.18 0.00 -0.01 0.00 0.00 64.34 63.42 1ggw n VAL 129 Cb 0.49 0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 34.15 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 0.30 -5.24 -3.90 4.52 5.15 -1.26 -3.05 115.26 111.78 1ggw n ASN 130 Ca 0.02 0.25 -0.27 0.00 -0.60 0.00 0.00 54.58 53.97 1ggw n ASN 130 Cb 0.96 -4.32 -0.01 0.00 -0.53 0.00 0.00 39.78 35.88 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ggw n TYR 131 N -3.14 -1.69 0.04 1.20 9.36 -1.26 -4.85 117.16 116.82 1ggw n TYR 131 Ca -0.20 0.68 0.00 0.00 3.32 0.00 0.00 57.90 61.70 1ggw n TYR 131 Cb 0.63 -3.68 0.00 0.00 -0.63 0.00 0.00 39.34 35.65 1ggw n TYR 131 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ggw n HIS 132 N -4.38 -0.58 -0.19 2.98 -0.00 -1.17 -4.67 115.22 107.21 1ggw n HIS 132 Ca -0.27 0.10 0.06 0.00 0.46 0.00 0.00 57.72 58.07 1ggw n HIS 132 Cb 0.67 0.27 0.34 0.00 -0.12 0.00 0.00 29.99 31.15 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1ggw h ASP 133 N 0.00 0.70 0.32 0.26 3.58 -1.90 0.20 116.42 119.59 1ggw h ASP 133 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1ggw h ASP 133 Cb 0.28 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1ggw h ASP 133 CO 0.00 0.46 -0.16 -0.26 -2.88 0.00 0.00 179.24 176.40 1ggw h PHE 134 N 0.80 -0.40 -0.16 0.28 0.04 -1.90 -2.65 116.94 112.94 1ggw h PHE 134 Ca 0.31 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 1ggw h PHE 134 Cb 0.21 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1ggw h PHE 134 CO -0.00 -0.06 -0.02 0.28 -0.60 0.00 0.00 178.31 177.91 1ggw h VAL 135 N -0.86 1.12 -0.16 -0.55 2.07 -1.78 -0.99 116.25 115.09 1ggw h VAL 135 Ca -0.04 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1ggw h VAL 135 Cb 0.52 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ggw h VAL 135 CO 0.07 0.15 0.05 -0.61 0.02 0.00 0.00 177.57 177.25 1ggw h GLN 136 N 0.23 0.25 -0.03 1.57 4.15 -0.59 -1.46 115.11 119.23 1ggw h GLN 136 Ca 0.05 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1ggw h GLN 136 Cb 0.19 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1ggw h GLN 136 CO 0.01 0.37 -0.70 1.98 -1.93 0.00 0.00 178.83 178.56 1ggw h MET 137 N 0.08 0.16 -0.18 1.69 4.05 -1.24 0.47 114.93 119.97 1ggw h MET 137 Ca 0.05 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1ggw h MET 137 Cb 0.23 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1ggw h MET 137 CO -0.00 0.80 -0.01 0.82 0.23 0.00 0.00 176.91 178.74 1ggw h ILE 138 N 0.11 1.26 0.00 1.77 2.04 -1.09 -3.35 117.51 118.25 1ggw h ILE 138 Ca -0.02 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1ggw h ILE 138 Cb 1.25 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1ggw h ILE 138 CO 0.10 0.27 -0.29 -0.07 0.00 0.00 0.00 178.15 178.16 1ggw h LEU 139 N 0.07 0.00 -2.05 1.44 4.07 -1.32 -3.46 115.31 114.05 1ggw h LEU 139 Ca 0.05 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1ggw h LEU 139 Cb 0.41 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1ggw h LEU 139 CO 0.01 0.85 -0.60 0.00 -1.08 0.00 0.00 178.44 177.63 1ggw n ALA 140 N -2.98 -2.75 -0.68 1.53 0.00 0.16 -4.81 120.51 110.97 1ggw n ALA 140 Ca -0.09 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1ggw n ALA 140 Cb 0.30 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59