#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 -4.36 -2.52 6.66 -1.04 -1.26 -3.66 114.28 108.09 1ggw n THR 3 Ca 0.00 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.05 61.67 1ggw n THR 3 Cb 0.00 -4.37 0.03 0.00 -1.82 0.00 0.00 70.33 64.17 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ggw n ASP 4 N -2.80 -4.98 -4.35 8.00 8.00 -1.26 -4.81 116.55 114.35 1ggw n ASP 4 Ca -0.16 -0.33 -0.53 0.00 0.71 0.00 0.00 54.79 54.49 1ggw n ASP 4 Cb 0.61 -3.41 -0.12 0.00 -0.02 0.00 0.00 41.12 38.19 1ggw n ASP 4 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ggw n ASP 5 N -2.26 0.85 -0.16 -2.24 8.00 -1.24 -4.48 116.55 115.02 1ggw n ASP 5 Ca -0.03 0.48 -0.03 0.00 0.71 0.00 0.00 54.79 55.91 1ggw n ASP 5 Cb 0.55 -0.97 0.06 0.00 -0.02 0.00 0.00 41.12 40.74 1ggw n ASP 5 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ggw h SER 6 N 10.55 0.25 0.75 -2.24 0.87 -1.89 0.46 113.55 122.31 1ggw h SER 6 Ca -0.11 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1ggw h SER 6 Cb 1.37 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1ggw h SER 6 CO 1.16 0.18 -0.15 -0.81 -0.53 0.00 0.00 176.83 176.68 1ggw n PRO 7 N -4.96 0.13 0.03 2.24 -0.04 -1.26 -0.51 135.00 130.62 1ggw n PRO 7 Ca 0.05 -0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ggw n PRO 7 Cb 0.18 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -1.41 0.00 0.20 0.54 4.01 -0.94 -4.59 117.16 114.97 1ggw n TYR 8 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1ggw n TYR 8 Cb 0.32 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 1ggw n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ggw h LYS 9 N -0.00 -0.55 -0.27 -0.72 6.56 -0.64 -1.58 116.57 119.36 1ggw h LYS 9 Ca 0.00 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1ggw h LYS 9 Cb 0.00 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 1ggw h LYS 9 CO 0.00 -0.37 0.17 0.37 -2.06 0.00 0.00 179.45 177.56 1ggw h GLN 10 N -1.14 0.33 -0.91 3.15 4.15 -0.43 -2.40 115.11 117.86 1ggw h GLN 10 Ca -0.06 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1ggw h GLN 10 Cb 0.44 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1ggw h GLN 10 CO 0.10 0.22 0.58 0.00 -1.93 0.00 0.00 178.83 177.80 1ggw h ALA 11 N 1.11 1.23 -0.42 3.38 0.00 -0.92 -2.10 119.26 121.53 1ggw h ALA 11 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ggw h ALA 11 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1ggw h ALA 11 CO -0.04 0.40 0.21 0.35 0.00 0.00 0.00 179.25 180.17 1ggw h PHE 12 N 1.10 0.40 0.00 0.00 3.04 -0.85 -1.82 116.94 118.81 1ggw h PHE 12 Ca 0.38 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.32 1ggw h PHE 12 Cb 0.08 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1ggw h PHE 12 CO -0.02 0.21 -0.14 1.03 -2.02 0.00 0.00 178.31 177.37 1ggw h SER 13 N 0.43 0.00 -0.24 0.41 0.87 -0.92 -2.57 113.55 111.52 1ggw h SER 13 Ca 0.18 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1ggw h SER 13 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1ggw h SER 13 CO -0.12 0.14 0.16 -0.07 -0.53 0.00 0.00 176.83 176.41 1ggw h LEU 14 N 0.00 0.18 -2.73 2.23 3.38 -0.70 -1.49 115.31 116.19 1ggw h LEU 14 Ca -0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1ggw h LEU 14 Cb 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1ggw h LEU 14 CO 0.02 0.12 0.10 0.49 0.09 0.00 0.00 178.44 179.27 1ggw n PHE 15 N -4.50 1.43 -3.37 1.13 3.72 -0.97 -4.78 117.46 110.13 1ggw n PHE 15 Ca 0.02 -0.67 -0.45 0.00 -0.05 0.00 0.00 57.45 56.29 1ggw n PHE 15 Cb 0.17 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 38.22 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 -0.45 6.29 0.15 4.37 1.01 -0.56 -4.86 116.67 122.62 1ggw s ASP 16 Ca 0.34 -2.18 -0.17 0.00 0.71 0.00 0.00 52.55 51.25 1ggw s ASP 16 Cb 0.26 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 42.07 1ggw s ASP 16 CO 0.09 -0.71 1.76 -0.09 0.21 0.00 0.00 175.17 176.43 1ggw h ARG 17 N 8.35 0.29 0.01 8.23 1.12 -1.87 -3.05 114.38 127.45 1ggw h ARG 17 Ca -0.13 -0.02 -0.27 0.00 -1.11 0.00 0.00 59.98 58.45 1ggw h ARG 17 Cb 1.07 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.92 1ggw h ARG 17 CO 0.90 0.19 -1.49 0.45 -3.11 0.00 0.00 179.97 176.91 1ggw h HIS 18 N 0.30 0.03 -0.77 2.20 3.86 -1.94 -3.49 115.15 115.35 1ggw h HIS 18 Ca 0.15 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1ggw h HIS 18 Cb 0.10 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1ggw h HIS 18 CO -0.12 1.03 0.00 0.41 0.86 0.00 0.00 177.93 180.11 1ggw n GLY 19 N 1.51 0.97 0.09 2.45 0.00 -1.16 -5.00 105.19 104.05 1ggw n GLY 19 Ca -0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.90 1.38 0.00 2.61 -2.24 -1.26 -5.00 114.28 107.88 1ggw n THR 20 Ca 0.00 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1ggw n THR 20 Cb 0.38 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 1.62 1.60 3.30 3.38 0.00 -1.26 -5.14 105.19 108.69 1ggw n GLY 21 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 1.22 -0.05 1.61 3.00 -1.26 -3.69 118.95 119.72 1ggw s ARG 22 Ca 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 55.73 54.11 1ggw s ARG 22 Cb 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 34.95 34.26 1ggw s ARG 22 CO 0.00 0.02 0.13 0.96 0.00 0.00 0.00 175.30 176.41 1ggw s ILE 23 N -3.31 0.01 0.73 1.52 -4.36 -0.93 -4.72 121.20 110.14 1ggw s ILE 23 Ca 0.22 -0.04 -0.07 0.00 -0.26 0.00 0.00 60.65 60.50 1ggw s ILE 23 Cb 0.03 -0.21 0.08 0.00 1.25 0.00 0.00 42.46 43.62 1ggw s ILE 23 CO 0.05 -0.02 1.04 -2.16 0.24 0.00 0.00 174.94 174.09 1ggw s PRO 24 N -0.01 1.96 0.36 0.37 0.04 -1.26 -2.39 135.00 134.06 1ggw s PRO 24 Ca -0.01 -0.39 0.17 0.00 0.04 0.00 0.00 61.00 60.82 1ggw s PRO 24 Cb -0.01 -2.16 1.17 0.00 0.04 0.00 0.00 34.50 33.54 1ggw s PRO 24 CO 0.00 -1.39 1.64 1.57 0.04 0.00 0.00 177.00 178.87 1ggw h LYS 25 N -0.69 0.23 -0.40 4.56 2.10 -1.93 0.16 116.57 120.60 1ggw h LYS 25 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.30 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.55 0.15 0.26 1.79 -2.00 0.00 0.00 179.45 180.20 1ggw h THR 26 N 0.24 1.11 -0.26 0.07 1.35 -1.94 -1.88 112.91 111.60 1ggw h THR 26 Ca 0.76 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 66.35 1ggw h THR 26 Cb 1.87 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1ggw h THR 26 CO -0.62 0.11 -0.03 0.28 -0.25 0.00 0.00 175.52 175.01 1ggw h SER 27 N 0.54 0.47 -0.64 5.36 0.02 -1.06 -3.07 113.55 115.17 1ggw h SER 27 Ca 0.15 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1ggw h SER 27 Cb -0.04 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1ggw h SER 27 CO -0.03 0.69 0.42 0.40 -1.14 0.00 0.00 176.83 177.17 1ggw h ILE 28 N 0.23 1.06 0.13 3.27 1.08 -1.23 -1.40 117.51 120.65 1ggw h ILE 28 Ca 0.07 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1ggw h ILE 28 Cb 0.47 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1ggw h ILE 28 CO 0.02 0.13 -0.16 1.23 -0.69 0.00 0.00 178.15 178.68 1ggw h GLY 29 N 0.72 -0.97 2.00 5.37 0.00 -1.24 -0.64 103.07 108.32 1ggw h GLY 29 Ca 0.26 0.44 -0.02 0.00 0.00 0.00 0.00 47.33 48.01 1ggw h GLY 29 CO -0.07 -0.33 -0.09 1.29 0.00 0.00 0.00 176.54 177.34 1ggw h ASP 30 N -0.30 0.00 -0.18 0.19 3.04 -1.60 -2.43 116.42 115.15 1ggw h ASP 30 Ca -0.02 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.79 1ggw h ASP 30 Cb 0.27 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.54 1ggw h ASP 30 CO -0.04 0.09 0.08 0.25 -2.04 0.00 0.00 179.24 177.58 1ggw h LEU 31 N 0.00 0.11 -1.33 0.15 5.85 -0.85 -2.04 115.31 117.21 1ggw h LEU 31 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ggw h LEU 31 Cb 0.18 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ggw h LEU 31 CO 0.01 0.09 0.30 -0.07 -0.34 0.00 0.00 178.44 178.43 1ggw h LEU 32 N 0.18 0.67 -0.96 2.25 3.38 -0.63 -2.41 115.31 117.78 1ggw h LEU 32 Ca 0.07 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1ggw h LEU 32 Cb 0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1ggw h LEU 32 CO -0.06 0.55 0.59 -0.09 0.09 0.00 0.00 178.44 179.52 1ggw h ARG 33 N 0.76 0.90 -0.34 1.13 2.43 -1.16 -0.45 114.38 117.66 1ggw h ARG 33 Ca 0.20 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1ggw h ARG 33 Cb 0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1ggw h ARG 33 CO -0.03 0.59 0.14 0.00 -1.51 0.00 0.00 179.97 179.17 1ggw h ALA 34 N 1.53 1.62 -0.91 2.80 0.00 -1.20 -2.59 119.26 120.51 1ggw h ALA 34 Ca 0.48 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 54.65 1ggw h ALA 34 Cb 0.50 -0.14 -0.26 0.00 0.00 0.00 0.00 17.79 17.88 1ggw h ALA 34 CO -0.27 0.30 0.84 0.00 0.00 0.00 0.00 179.25 180.12 1ggw n GLY 36 N -0.58 1.77 3.36 0.00 0.00 -0.97 -5.03 105.19 103.74 1ggw n GLY 36 Ca 0.56 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1ggw n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggw s GLN 37 N 0.00 1.43 0.00 1.61 0.74 -1.23 -4.77 119.66 117.45 1ggw s GLN 37 Ca 0.00 -1.75 0.05 0.00 0.05 0.00 0.00 55.36 53.71 1ggw s GLN 37 Cb 0.00 -0.63 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 1ggw s GLN 37 CO 0.00 -0.15 -0.16 0.54 -0.55 0.00 0.00 175.29 174.97 1ggw s ASN 38 N -3.35 1.86 0.15 6.67 2.20 -1.26 -2.93 114.94 118.28 1ggw s ASN 38 Ca 0.32 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1ggw s ASN 38 Cb 0.07 -0.18 0.00 0.00 -2.00 0.00 0.00 41.25 39.13 1ggw s ASN 38 CO 0.11 0.16 0.00 -0.81 -2.94 0.00 0.00 177.10 173.62 1ggw n PRO 39 N 2.44 1.37 -3.11 3.55 -0.04 -1.26 -4.96 135.00 132.99 1ggw n PRO 39 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1ggw n PRO 39 Cb 0.54 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.44 3.50 0.35 0.52 -4.23 -1.26 -4.96 115.64 110.00 1ggw s THR 40 Ca 0.00 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1ggw s THR 40 Cb 0.00 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.93 1ggw s THR 40 CO 0.00 -0.11 1.87 -0.07 -0.54 0.00 0.00 174.62 175.76 1ggw h LEU 41 N 0.59 0.68 -1.12 4.79 -0.00 -1.99 0.48 115.31 118.74 1ggw h LEU 41 Ca -0.43 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1ggw h LEU 41 Cb 1.27 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.51 0.35 0.53 0.00 -0.00 0.00 0.00 178.44 179.83 1ggw h ALA 42 N 1.59 1.35 0.17 1.53 0.00 -1.99 -1.19 119.26 120.73 1ggw h ALA 42 Ca 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ggw h ALA 42 Cb 0.69 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ggw h ALA 42 CO -0.21 0.58 -0.08 1.49 0.00 0.00 0.00 179.25 181.03 1ggw h GLU 43 N 1.16 -0.23 -0.54 0.00 4.22 -1.29 -0.53 114.58 117.36 1ggw h GLU 43 Ca 0.31 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.81 1ggw h GLU 43 Cb -0.09 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1ggw h GLU 43 CO -0.06 0.04 0.28 -0.84 -2.18 0.00 0.00 179.01 176.25 1ggw h ILE 44 N -0.48 0.96 -0.72 2.32 -2.65 -1.25 -1.37 117.51 114.32 1ggw h ILE 44 Ca -0.02 -0.19 0.02 0.00 1.03 0.00 0.00 64.86 65.70 1ggw h ILE 44 Cb 0.37 0.37 -0.04 0.00 -2.05 0.00 0.00 36.82 35.47 1ggw h ILE 44 CO 0.04 0.10 0.47 0.74 0.03 0.00 0.00 178.15 179.53 1ggw h THR 45 N 0.55 1.15 -0.98 0.16 2.02 -1.18 -1.50 112.91 113.13 1ggw h THR 45 Ca 0.24 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1ggw h THR 45 Cb 0.14 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 1ggw h THR 45 CO -0.16 0.17 0.63 -0.33 0.37 0.00 0.00 175.52 176.20 1ggw h GLU 46 N 0.93 1.13 -0.17 6.66 4.39 -0.22 -1.46 114.58 125.85 1ggw h GLU 46 Ca 0.27 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1ggw h GLU 46 Cb -0.06 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 1ggw h GLU 46 CO -0.08 0.75 0.07 0.82 -1.16 0.00 0.00 179.01 179.41 1ggw h ILE 47 N 1.17 1.16 -0.11 3.13 2.04 -0.55 -2.23 117.51 122.11 1ggw h ILE 47 Ca 0.41 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1ggw h ILE 47 Cb 0.12 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1ggw h ILE 47 CO -0.16 0.15 0.16 -0.33 0.00 0.00 0.00 178.15 177.97 1ggw h GLU 48 N 0.11 0.00 0.00 2.37 5.08 -0.53 -1.52 114.58 120.09 1ggw h GLU 48 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 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 -3.64 0.04 -0.01 1.42 2.88 -0.62 -3.02 113.62 110.67 1ggw n SER 49 Ca -0.00 0.51 -0.01 0.00 -1.33 0.00 0.00 58.87 58.04 1ggw n SER 49 Cb 0.26 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ggw n THR 50 N -1.55 0.15 -3.73 2.46 -2.24 -0.58 -5.05 114.28 103.74 1ggw n THR 50 Ca 0.01 -0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 1ggw n THR 50 Cb 0.07 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 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 -4.49 4.22 0.46 3.22 1.43 -1.15 -5.05 118.68 117.32 1ggw s LEU 51 Ca -0.02 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 1ggw s LEU 51 Cb 0.01 -3.10 -0.14 0.00 0.03 0.00 0.00 46.19 42.99 1ggw s LEU 51 CO 0.08 -0.08 0.13 -2.65 0.23 0.00 0.00 176.35 174.05 1ggw n PRO 52 N -1.02 0.13 -0.24 1.29 -0.02 -1.26 -4.73 135.00 129.14 1ggw n PRO 52 Ca -0.06 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.48 1ggw n PRO 52 Cb 0.55 -1.15 0.05 0.00 -0.02 0.00 0.00 33.50 32.94 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -1.24 0.02 -2.69 3.55 0.00 -1.26 -3.98 120.51 114.91 1ggw n ALA 53 Ca 0.10 0.68 -0.37 0.00 0.00 0.00 0.00 53.44 53.85 1ggw n ALA 53 Cb 0.43 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 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 -5.70 4.15 -0.96 0.00 2.02 -1.26 -4.94 118.70 112.00 1ggw s GLU 54 Ca -0.09 -0.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.63 1ggw s GLU 54 Cb 0.15 -3.50 0.11 0.00 0.10 0.00 0.00 34.13 30.99 1ggw s GLU 54 CO 0.48 0.10 1.22 0.08 0.02 0.00 0.00 175.26 177.16 1ggw s VAL 55 N 0.92 4.55 0.88 2.63 1.01 -1.01 -4.83 120.40 124.55 1ggw s VAL 55 Ca 0.12 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 1ggw s VAL 55 Cb -0.13 -4.85 0.18 0.00 0.00 0.00 0.00 36.38 31.58 1ggw s VAL 55 CO 0.04 -1.61 1.21 1.51 0.00 0.00 0.00 175.10 176.25 1ggw s ASP 56 N 3.92 3.50 0.31 3.32 1.47 -1.26 -2.19 116.67 125.74 1ggw s ASP 56 Ca 0.36 -0.02 0.03 0.00 1.18 0.00 0.00 52.55 54.11 1ggw s ASP 56 Cb -0.04 -0.12 0.80 0.00 -0.34 0.00 0.00 42.92 43.22 1ggw s ASP 56 CO -0.09 -2.46 1.58 0.24 0.68 0.00 0.00 175.17 175.12 1ggw h MET 57 N -1.26 0.03 0.17 2.11 2.86 -1.95 0.77 114.93 117.66 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 1.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.37 0.02 -0.08 1.49 1.06 0.00 0.00 176.91 179.77 1ggw h GLU 58 N 0.03 -0.22 -0.06 1.72 4.81 -1.92 -1.93 114.58 117.01 1ggw h GLU 58 Ca 0.61 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.88 1ggw h GLU 58 Cb 1.30 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1ggw h GLU 58 CO -0.87 0.10 -0.08 1.96 -0.73 0.00 0.00 179.01 179.40 1ggw h GLN 59 N -0.57 -0.10 -0.05 1.92 7.50 -1.43 0.13 115.11 122.51 1ggw h GLN 59 Ca -0.02 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1ggw h GLN 59 Cb 0.43 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1ggw h GLN 59 CO 0.04 -0.07 0.03 0.35 -1.50 0.00 0.00 178.83 177.68 1ggw h PHE 60 N -0.11 0.06 -0.24 2.96 3.57 -1.01 -2.28 116.94 119.90 1ggw h PHE 60 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.18 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1ggw h PHE 60 CO -0.17 0.05 0.07 -0.07 -2.23 0.00 0.00 178.31 175.96 1ggw h LEU 61 N 0.05 0.30 0.05 0.59 3.38 -1.20 0.39 115.31 118.88 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 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ggw h LEU 61 CO -0.00 0.30 -0.03 -0.61 0.09 0.00 0.00 178.44 178.19 1ggw h GLN 62 N 0.33 -0.07 -0.09 1.13 4.15 -0.20 0.11 115.11 120.48 1ggw h GLN 62 Ca 0.08 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1ggw h GLN 62 Cb 0.11 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.82 1ggw h GLN 62 CO -0.01 0.06 -0.40 -0.39 -1.93 0.00 0.00 178.83 176.16 1ggw h VAL 63 N -0.19 1.40 -0.28 2.39 -1.51 -1.21 -2.99 116.25 113.86 1ggw h VAL 63 Ca -0.01 -1.77 0.02 0.00 -1.23 0.00 0.00 66.70 63.71 1ggw h VAL 63 Cb 0.16 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.56 1ggw h VAL 63 CO 0.01 0.52 0.14 0.25 -1.23 0.00 0.00 177.57 177.26 1ggw h LEU 64 N -0.03 0.21 -5.25 4.19 5.85 -0.94 -2.86 115.31 116.47 1ggw h LEU 64 Ca -0.03 0.01 -0.77 0.00 0.84 0.00 0.00 57.88 57.94 1ggw h LEU 64 Cb 1.05 -0.03 -0.28 0.00 0.37 0.00 0.00 40.66 41.77 1ggw h LEU 64 CO 0.08 0.16 0.95 0.59 -0.34 0.00 0.00 178.44 179.88 1ggw n ASN 65 N -4.97 7.32 0.11 1.25 3.02 0.37 -4.67 115.26 117.69 1ggw n ASN 65 Ca -0.01 -3.80 -0.13 0.00 -0.03 0.00 0.00 54.58 50.61 1ggw n ASN 65 Cb 0.07 -1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 38.12 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ggw h ARG 66 N 3.24 -0.25 -0.88 3.52 2.43 -1.35 -2.34 114.38 118.76 1ggw h ARG 66 Ca 0.54 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1ggw h ARG 66 Cb 0.13 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ggw h ARG 66 CO 1.35 -0.17 0.00 -0.35 -1.51 0.00 0.00 179.97 179.29 1ggw n PRO 67 N -5.23 1.77 -2.97 0.20 -0.04 -1.26 -4.92 135.00 122.54 1ggw n PRO 67 Ca -0.08 -0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 62.63 1ggw n PRO 67 Cb 0.15 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.12 -7.56 0.00 3.54 3.02 -0.88 -4.99 115.26 108.51 1ggw n ASN 68 Ca 0.06 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1ggw n ASN 68 Cb 0.43 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ggw n GLY 69 N -0.39 2.35 3.91 7.41 0.00 -1.26 -5.13 105.19 112.07 1ggw n GLY 69 Ca 0.08 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.64 2.88 -0.86 1.61 0.40 -1.26 -4.57 117.98 114.54 1ggw s PHE 70 Ca 0.00 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1ggw s PHE 70 Cb 0.00 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1ggw s PHE 70 CO 0.00 -0.02 0.75 -0.25 0.70 0.00 0.00 175.22 176.41 1ggw n ASP 71 N -1.54 -6.99 0.00 1.36 8.00 -1.26 -4.79 116.55 111.33 1ggw n ASP 71 Ca 0.01 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1ggw n ASP 71 Cb 0.60 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1ggw n MET 72 N -2.46 0.00 -0.28 -1.24 1.56 -1.26 -4.96 117.12 108.48 1ggw n MET 72 Ca -0.06 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.44 1ggw n MET 72 Cb 0.56 0.00 0.19 0.00 2.15 0.00 0.00 33.22 36.12 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 0.09 -0.98 2.12 0.11 -1.83 -3.28 132.00 128.22 1ggw h PRO 73 Ca 0.00 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.75 1ggw h PRO 73 Cb 0.00 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 30.79 1ggw h PRO 73 CO 0.00 0.06 -0.88 0.41 -0.21 0.00 0.00 178.00 177.38 1ggw n GLY 74 N -1.44 2.06 3.66 -0.55 0.00 -1.26 -5.01 105.19 102.66 1ggw n GLY 74 Ca 0.16 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.09 6.97 0.19 1.61 1.01 -1.24 -4.94 116.67 118.18 1ggw s ASP 75 Ca 0.30 1.69 -0.12 0.00 0.71 0.00 0.00 52.55 55.13 1ggw s ASP 75 Cb 0.36 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.88 1ggw s ASP 75 CO -0.05 -0.73 1.83 -0.65 0.21 0.00 0.00 175.17 175.79 1ggw h PRO 76 N 8.05 0.72 -0.17 8.23 0.11 -1.99 -2.18 132.00 144.76 1ggw h PRO 76 Ca -0.27 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1ggw h PRO 76 Cb 1.11 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ggw h PRO 76 CO 0.96 0.47 -0.29 1.49 -0.21 0.00 0.00 178.00 180.42 1ggw h GLU 77 N 0.74 0.33 -0.42 1.05 4.57 -1.98 -1.24 114.58 117.63 1ggw h GLU 77 Ca 0.23 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1ggw h GLU 77 Cb -0.01 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ggw h GLU 77 CO -0.08 0.60 0.04 1.49 -1.18 0.00 0.00 179.01 179.87 1ggw h GLU 78 N 0.29 0.71 -0.08 1.92 4.57 -1.84 0.73 114.58 120.88 1ggw h GLU 78 Ca 0.04 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 1ggw h GLU 78 Cb 0.67 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1ggw h GLU 78 CO 0.05 0.77 -0.21 0.27 -1.18 0.00 0.00 179.01 178.71 1ggw h PHE 79 N 0.56 0.36 0.32 0.92 -5.15 -1.29 -0.84 116.94 111.82 1ggw h PHE 79 Ca 0.12 -0.14 -0.02 0.00 -0.20 0.00 0.00 57.97 57.74 1ggw h PHE 79 Cb 0.42 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 36.54 1ggw h PHE 79 CO 0.03 0.83 -0.15 0.28 -2.00 0.00 0.00 178.31 177.30 1ggw h VAL 80 N -0.21 0.00 -0.04 0.88 2.07 -1.24 -2.71 116.25 115.00 1ggw h VAL 80 Ca -0.00 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1ggw h VAL 80 Cb 0.83 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ggw h VAL 80 CO 0.05 0.00 0.07 0.50 0.02 0.00 0.00 177.57 178.20 1ggw h LYS 81 N -0.52 0.00 0.08 1.57 1.63 -1.01 -0.88 116.57 117.44 1ggw h LYS 81 Ca -0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1ggw h LYS 81 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1ggw h LYS 81 CO 0.07 0.00 -0.04 0.78 -3.45 0.00 0.00 179.45 176.81 1ggw h GLY 82 N 0.00 -0.12 0.92 5.01 0.00 -1.10 0.06 103.07 107.84 1ggw h GLY 82 Ca 0.02 0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 1ggw h GLY 82 CO -0.00 -0.04 -0.70 0.74 0.00 0.00 0.00 176.54 176.54 1ggw h PHE 83 N -0.51 0.75 0.00 5.60 0.04 -1.17 -3.17 116.94 118.49 1ggw h PHE 83 Ca -0.01 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1ggw h PHE 83 Cb 0.43 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1ggw h PHE 83 CO 0.05 1.21 0.00 0.00 -0.60 0.00 0.00 178.31 178.97 1ggw n GLN 84 N -4.12 0.97 -0.25 1.51 -0.00 -0.36 -4.14 117.38 110.99 1ggw n GLN 84 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 56.95 1ggw n GLN 84 Cb 0.72 -1.23 0.18 0.00 -0.00 0.00 0.00 30.24 29.90 1ggw n GLN 84 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1ggw h VAL 85 N 0.00 0.54 -0.46 -0.39 3.04 -0.94 -3.29 116.25 114.75 1ggw h VAL 85 Ca 0.00 -0.10 -0.27 0.00 -1.01 0.00 0.00 66.70 65.32 1ggw h VAL 85 Cb 0.00 0.22 -0.29 0.00 -2.01 0.00 0.00 31.29 29.20 1ggw h VAL 85 CO 0.00 0.05 -0.81 0.49 -1.01 0.00 0.00 177.57 176.30 1ggw n PHE 86 N -5.13 -0.32 -3.22 3.17 3.72 -1.26 -4.99 117.46 109.43 1ggw n PHE 86 Ca 0.14 -2.26 -0.25 0.00 -0.05 0.00 0.00 57.45 55.04 1ggw n PHE 86 Cb 0.45 0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 39.43 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 -0.54 2.33 -0.07 4.37 8.00 -1.24 -4.92 116.55 124.48 1ggw n ASP 87 Ca 0.01 -3.19 -0.02 0.00 0.71 0.00 0.00 54.79 52.31 1ggw n ASP 87 Cb 0.83 -0.63 0.24 0.00 -0.02 0.00 0.00 41.12 41.54 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ggw h LYS 88 N 3.71 0.69 0.00 -1.24 1.63 -1.94 -3.31 116.57 116.11 1ggw h LYS 88 Ca 0.13 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ggw h LYS 88 Cb 0.75 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1ggw h LYS 88 CO 0.67 0.66 -0.06 0.22 -3.45 0.00 0.00 179.45 177.48 1ggw h ASP 89 N 0.67 0.00 -2.03 4.20 1.82 -1.98 -3.50 116.42 115.60 1ggw h ASP 89 Ca 0.15 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.97 1ggw h ASP 89 Cb 0.31 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.27 1ggw h ASP 89 CO 0.00 0.33 -0.24 0.00 -1.61 0.00 0.00 179.24 177.72 1ggw n ALA 90 N -2.59 -1.76 -2.37 -0.78 0.00 -1.25 -4.87 120.51 106.89 1ggw n ALA 90 Ca -0.01 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1ggw n ALA 90 Cb 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.03 -0.81 0.00 0.00 -1.04 -1.26 -4.58 114.28 103.56 1ggw n THR 91 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ggw n THR 91 Cb 0.31 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.32 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 -0.91 0.00 0.00 3.41 0.00 -1.26 -5.16 105.19 101.27 1ggw n GLY 92 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ggw n GLY 92 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ggw n MET 93 N 0.00 0.00 -0.11 1.61 0.00 -1.26 -4.79 117.12 112.57 1ggw n MET 93 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 1ggw n MET 93 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1ggw n MET 93 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1ggw n ILE 94 N -0.17 1.25 -2.65 3.17 0.00 -1.26 -4.67 119.36 115.03 1ggw n ILE 94 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 62.75 62.31 1ggw n ILE 94 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 39.64 38.09 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 1.98 -1.17 0.52 4.50 0.00 -1.20 -4.61 105.19 105.21 1ggw n GLY 95 Ca -0.42 0.85 0.36 0.00 0.00 0.00 0.00 46.02 46.80 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 1.31 0.29 -0.33 1.61 2.07 0.83 -1.60 116.25 120.42 1ggw h VAL 96 Ca 0.00 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1ggw h VAL 96 Cb 0.87 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1ggw h VAL 96 CO 0.19 0.02 -0.32 1.23 0.02 0.00 0.00 177.57 178.71 1ggw h GLY 97 N 0.11 -0.28 1.23 2.17 0.00 -1.77 0.85 103.07 105.38 1ggw h GLY 97 Ca 0.70 0.40 -0.21 0.00 0.00 0.00 0.00 47.33 48.22 1ggw h GLY 97 CO -0.18 -0.21 -0.72 1.05 0.00 0.00 0.00 176.54 176.48 1ggw h GLU 98 N -0.28 0.76 -0.81 4.80 9.09 -1.61 -2.73 114.58 123.80 1ggw h GLU 98 Ca 0.15 -0.59 -0.02 0.00 0.05 0.00 0.00 59.36 58.96 1ggw h GLU 98 Cb 0.53 0.11 -0.04 0.00 -1.65 0.00 0.00 28.75 27.71 1ggw h GLU 98 CO -0.49 1.20 0.43 1.37 0.05 0.00 0.00 179.01 181.57 1ggw h LEU 99 N 0.54 1.02 -0.17 3.06 8.10 -1.14 -2.58 115.31 124.13 1ggw h LEU 99 Ca -0.04 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 1ggw h LEU 99 Cb 1.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 41.29 1ggw h LEU 99 CO 0.15 0.83 0.00 -0.09 -4.11 0.00 0.00 178.44 175.22 1ggw h ARG 100 N 1.14 0.30 -0.86 0.17 1.12 0.71 -1.59 114.38 115.37 1ggw h ARG 100 Ca 0.28 -0.09 0.14 0.00 -1.11 0.00 0.00 59.98 59.20 1ggw h ARG 100 Cb 0.05 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 29.91 1ggw h ARG 100 CO -0.04 0.51 0.56 -0.92 -3.11 0.00 0.00 179.97 176.97 1ggw h TYR 101 N 0.05 0.75 -0.02 2.20 3.20 -1.23 0.33 116.97 122.24 1ggw h TYR 101 Ca 0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1ggw h TYR 101 Cb 0.38 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ggw h TYR 101 CO 0.03 0.28 -0.23 0.28 -1.64 0.00 0.00 178.16 176.89 1ggw h VAL 102 N 0.64 1.51 -0.27 1.81 2.07 -1.32 -3.27 116.25 117.43 1ggw h VAL 102 Ca 0.43 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1ggw h VAL 102 Cb 0.72 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1ggw h VAL 102 CO -0.18 0.51 -0.19 -0.07 0.02 0.00 0.00 177.57 177.66 1ggw h LEU 103 N -0.44 0.47 -1.54 2.57 3.38 -0.67 -2.88 115.31 116.20 1ggw h LEU 103 Ca -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ggw h LEU 103 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ggw h LEU 103 CO 0.05 0.67 0.08 0.71 0.09 0.00 0.00 178.44 180.04 1ggw h THR 104 N 0.43 1.13 0.00 0.22 1.35 -0.47 -1.47 112.91 114.11 1ggw h THR 104 Ca 0.07 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1ggw h THR 104 Cb 0.57 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1ggw h THR 104 CO 0.04 0.15 0.00 -1.28 -0.25 0.00 0.00 175.52 174.18 1ggw h SER 105 N 0.38 0.00 0.45 5.36 0.87 -1.56 -3.01 113.55 116.04 1ggw h SER 105 Ca 0.09 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1ggw h SER 105 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ggw h SER 105 CO -0.01 0.00 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.01 1ggw h LEU 106 N 0.00 -0.51 0.00 2.23 3.38 -1.27 -3.46 115.31 115.68 1ggw h LEU 106 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ggw h LEU 106 Cb 0.62 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ggw h LEU 106 CO 0.00 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1ggw n GLY 107 N -0.18 -1.02 3.54 0.83 0.00 -1.23 -4.98 105.19 102.14 1ggw n GLY 107 Ca -0.10 0.50 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 -7.49 0.00 1.61 -0.58 -1.14 -5.02 120.64 108.02 1ggw n GLU 108 Ca 0.00 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 1ggw n GLU 108 Cb 0.00 -5.88 0.00 0.00 -0.57 0.00 0.00 31.44 24.99 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 -4.69 2.95 -1.70 3.49 4.76 -1.22 -4.64 118.16 117.11 1ggw n LYS 109 Ca -0.10 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.03 1ggw n LYS 109 Cb 0.60 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.72 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 2.99 0.00 -0.35 7.99 -1.26 -4.87 117.00 121.50 1ggw n LEU 110 Ca 0.00 -2.93 -0.18 0.00 -0.01 0.00 0.00 56.01 52.89 1ggw n LEU 110 Cb 0.00 -1.52 0.14 0.00 -0.11 0.00 0.00 43.42 41.93 1ggw n LEU 110 CO 0.00 -1.71 0.40 -1.54 -1.51 0.00 0.00 177.39 173.04 1ggw n SER 111 N 13.08 -1.18 -0.33 -1.43 3.41 -1.26 -4.46 113.62 121.45 1ggw n SER 111 Ca 0.46 -1.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.27 1ggw n SER 111 Cb 0.45 -0.60 0.46 0.00 -0.26 0.00 0.00 64.21 64.26 1ggw n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggw h ASN 112 N -1.75 0.53 0.18 4.04 -1.07 -1.93 -0.47 115.58 115.11 1ggw h ASN 112 Ca -0.25 0.09 -0.01 0.00 0.07 0.00 0.00 56.30 56.21 1ggw h ASN 112 Cb 0.73 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 1ggw h ASN 112 CO 0.16 0.11 -0.09 -0.08 0.07 0.00 0.00 177.43 177.61 1ggw h GLU 113 N 0.48 -0.23 -0.03 4.14 4.81 -1.96 0.12 114.58 121.90 1ggw h GLU 113 Ca 0.60 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.86 1ggw h GLU 113 Cb 1.37 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 1ggw h GLU 113 CO -0.34 0.11 -0.06 0.93 -0.73 0.00 0.00 179.01 178.92 1ggw h GLU 114 N -0.60 -0.09 0.00 1.92 5.08 -1.66 -2.03 114.58 117.20 1ggw h GLU 114 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ggw h GLU 114 Cb 0.45 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ggw h GLU 114 CO 0.04 -0.06 -0.26 0.00 -1.00 0.00 0.00 179.01 177.73 1ggw h MET 115 N -0.09 0.00 -0.29 2.33 -0.00 -1.18 -2.76 114.93 112.94 1ggw h MET 115 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1ggw h MET 115 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.71 1ggw h MET 115 CO -0.08 0.26 0.14 -0.44 -0.00 0.00 0.00 176.91 176.79 1ggw h ASP 116 N 0.00 0.20 -0.57 -0.10 5.19 -0.03 0.12 116.42 121.23 1ggw h ASP 116 Ca -0.00 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 1ggw h ASP 116 Cb 0.54 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1ggw h ASP 116 CO 0.03 0.15 0.07 -0.33 -3.12 0.00 0.00 179.24 176.04 1ggw h GLU 117 N 0.30 0.97 -0.77 3.56 4.39 -1.29 -1.17 114.58 120.56 1ggw h GLU 117 Ca 0.12 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1ggw h GLU 117 Cb 0.05 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1ggw h GLU 117 CO -0.09 0.93 0.46 1.37 -1.16 0.00 0.00 179.01 180.52 1ggw h LEU 118 N 0.86 0.93 -0.78 1.33 8.10 -1.17 -2.34 115.31 122.24 1ggw h LEU 118 Ca 0.17 -0.07 -0.13 0.00 0.11 0.00 0.00 57.88 57.97 1ggw h LEU 118 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1ggw h LEU 118 CO 0.02 0.73 -0.46 -0.07 -4.11 0.00 0.00 178.44 174.55 1ggw h LEU 119 N 1.05 0.38 -0.94 0.17 3.38 -0.60 -2.61 115.31 116.14 1ggw h LEU 119 Ca 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ggw h LEU 119 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1ggw h LEU 119 CO -0.05 0.79 0.55 0.50 0.09 0.00 0.00 178.44 180.32 1ggw h LYS 120 N 0.29 1.28 -0.07 1.13 3.64 -0.70 -3.09 116.57 119.06 1ggw h LYS 120 Ca 0.02 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1ggw h LYS 120 Cb 0.92 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ggw h LYS 120 CO 0.08 0.91 -0.23 0.78 -2.27 0.00 0.00 179.45 178.71 1ggw h GLY 121 N 1.30 0.30 -5.81 5.01 0.00 -1.34 -3.43 103.07 99.11 1ggw h GLY 121 Ca 0.33 -0.40 -0.59 0.00 0.00 0.00 0.00 47.33 46.67 1ggw h GLY 121 CO -0.06 0.36 0.35 0.14 0.00 0.00 0.00 176.54 177.33 1ggw s VAL 122 N -3.73 4.90 -1.28 4.60 1.01 -0.99 -4.97 120.40 119.93 1ggw s VAL 122 Ca -0.15 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1ggw s VAL 122 Cb 0.03 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1ggw s VAL 122 CO 0.75 -0.00 2.42 -0.81 0.00 0.00 0.00 175.10 177.46 1ggw n PRO 123 N 5.61 2.76 -4.48 2.72 -0.04 -1.26 -4.75 135.00 135.56 1ggw n PRO 123 Ca 0.03 -2.06 -0.26 0.00 -0.04 0.00 0.00 63.50 61.17 1ggw n PRO 123 Cb 0.48 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.02 1ggw n PRO 123 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ggw n VAL 124 N 4.47 0.00 -5.21 0.52 0.24 -1.26 -5.14 118.33 111.96 1ggw n VAL 124 Ca 0.59 -2.46 -0.32 0.00 -2.04 0.00 0.00 64.34 60.11 1ggw n VAL 124 Cb 0.27 0.90 -0.16 0.00 -1.47 0.00 0.00 33.84 33.38 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ggw s LYS 125 N -3.60 2.61 -0.25 7.34 1.02 -1.26 -4.61 119.74 120.98 1ggw s LYS 125 Ca 0.22 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1ggw s LYS 125 Cb 0.01 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1ggw s LYS 125 CO 0.16 0.39 0.00 -0.25 -0.92 0.00 0.00 175.35 174.73 1ggw n ASP 126 N 2.94 -4.74 -2.47 2.83 8.00 -1.26 -3.25 116.55 118.60 1ggw n ASP 126 Ca -0.17 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.27 1ggw n ASP 126 Cb 0.52 -2.45 0.05 0.00 -0.02 0.00 0.00 41.12 39.23 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 -0.77 -0.04 3.44 0.44 0.00 -1.26 -0.30 105.19 106.71 1ggw n GLY 127 Ca -0.02 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N -4.97 3.60 0.00 1.61 0.00 -1.20 -1.20 119.30 117.14 1ggw s MET 128 Ca 0.05 -0.52 0.23 0.00 0.00 0.00 0.00 55.69 55.45 1ggw s MET 128 Cb -0.02 -3.37 0.38 0.00 0.00 0.00 0.00 34.83 31.82 1ggw s MET 128 CO 0.45 -0.23 1.15 0.28 0.00 0.00 0.00 175.02 176.67 1ggw n VAL 129 N 4.93 0.00 -1.66 10.11 0.31 -1.26 -4.74 118.33 126.02 1ggw n VAL 129 Ca -0.16 -0.89 -0.17 0.00 -0.01 0.00 0.00 64.34 63.12 1ggw n VAL 129 Cb 0.51 0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 34.32 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 0.44 -4.55 -4.16 4.52 5.15 -1.26 -2.43 115.26 112.97 1ggw n ASN 130 Ca 0.04 0.36 -0.35 0.00 -0.60 0.00 0.00 54.58 54.02 1ggw n ASN 130 Cb 1.10 -4.06 -0.02 0.00 -0.53 0.00 0.00 39.78 36.27 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 -2.42 -1.80 -0.02 1.20 9.36 -1.26 -4.79 117.16 117.43 1ggw n TYR 131 Ca -0.18 0.79 -0.03 0.00 3.32 0.00 0.00 57.90 61.81 1ggw n TYR 131 Cb 0.57 -3.02 -0.02 0.00 -0.63 0.00 0.00 39.34 36.24 1ggw n TYR 131 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1ggw n HIS 132 N -4.39 0.00 0.01 2.98 1.44 -1.02 -4.48 115.22 109.76 1ggw n HIS 132 Ca 0.08 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.72 1ggw n HIS 132 Cb 0.49 -0.15 0.11 0.00 0.12 0.00 0.00 29.99 30.56 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1ggw h ASP 133 N 0.00 0.55 0.30 4.39 3.58 -1.88 -0.25 116.42 123.12 1ggw h ASP 133 Ca -0.09 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1ggw h ASP 133 Cb 1.14 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1ggw h ASP 133 CO -0.01 0.91 -0.14 -0.26 -2.88 0.00 0.00 179.24 176.85 1ggw h PHE 134 N 0.43 -0.37 -0.36 0.28 0.04 -1.89 -2.15 116.94 112.92 1ggw h PHE 134 Ca 0.03 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1ggw h PHE 134 Cb 0.91 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.17 1ggw h PHE 134 CO 0.03 -0.03 0.04 0.28 -0.60 0.00 0.00 178.31 178.03 1ggw h VAL 135 N -0.78 1.19 0.22 -0.55 2.07 -1.78 -1.61 116.25 115.00 1ggw h VAL 135 Ca -0.04 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ggw h VAL 135 Cb 0.51 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ggw h VAL 135 CO 0.07 0.25 -0.11 -0.61 0.02 0.00 0.00 177.57 177.19 1ggw h GLN 136 N 0.53 -0.28 -0.52 1.57 5.75 -1.02 -0.56 115.11 120.57 1ggw h GLN 136 Ca 0.12 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1ggw h GLN 136 Cb 0.27 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1ggw h GLN 136 CO 0.00 -0.09 0.16 1.98 -2.65 0.00 0.00 178.83 178.24 1ggw h MET 137 N -0.43 0.78 -0.13 1.69 4.05 -1.28 -0.60 114.93 119.02 1ggw h MET 137 Ca -0.03 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.17 1ggw h MET 137 Cb 0.33 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1ggw h MET 137 CO 0.05 0.68 -0.29 0.82 0.23 0.00 0.00 176.91 178.40 1ggw h ILE 138 N 0.76 1.25 -0.01 1.77 2.04 -1.12 -2.71 117.51 119.50 1ggw h ILE 138 Ca 0.17 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1ggw h ILE 138 Cb 0.23 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1ggw h ILE 138 CO -0.01 0.36 -0.31 0.18 0.00 0.00 0.00 178.15 178.38 1ggw n LEU 139 N -4.13 1.27 -4.36 1.44 4.77 -0.23 -4.75 117.00 111.00 1ggw n LEU 139 Ca -0.01 -0.38 -0.45 0.00 -0.03 0.00 0.00 56.01 55.13 1ggw n LEU 139 Cb 0.39 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1ggw n LEU 139 CO 0.40 0.24 0.46 0.00 -1.33 0.00 0.00 177.39 177.15 1ggw s ALA 140 N -2.49 3.61 0.00 -1.18 0.00 -0.28 -5.07 121.76 116.35 1ggw s ALA 140 Ca 0.23 -2.64 0.00 0.00 0.00 0.00 0.00 51.96 49.55 1ggw s ALA 140 Cb 0.19 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ggw s ALA 140 CO 0.53 -2.37 0.00 0.09 0.00 0.00 0.00 175.76 174.01