#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 2.84 -2.71 2.46 -2.24 -1.26 -4.34 114.28 109.03 1ggw n THR 3 Ca 0.00 -1.47 -0.03 0.00 -2.27 0.00 0.00 64.05 60.28 1ggw n THR 3 Cb 0.00 -0.30 0.11 0.00 -2.10 0.00 0.00 70.33 68.03 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ggw n ASP 4 N 0.41 -0.75 -4.62 3.42 5.68 -1.26 -5.09 116.55 114.34 1ggw n ASP 4 Ca 0.32 -2.24 -0.43 0.00 -0.50 0.00 0.00 54.79 51.94 1ggw n ASP 4 Cb 1.27 0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 41.65 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ggw s ASP 5 N -1.80 6.12 0.09 -1.12 1.01 -1.26 -4.87 116.67 114.84 1ggw s ASP 5 Ca 0.16 1.62 -0.19 0.00 0.71 0.00 0.00 52.55 54.85 1ggw s ASP 5 Cb 0.42 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.74 1ggw s ASP 5 CO -0.10 -1.47 1.58 -1.28 0.21 0.00 0.00 175.17 174.11 1ggw h SER 6 N 11.90 0.37 1.04 0.27 0.87 -1.97 0.57 113.55 126.60 1ggw h SER 6 Ca -0.36 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1ggw h SER 6 Cb 1.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ggw h SER 6 CO 1.00 0.51 -0.13 -0.81 -0.53 0.00 0.00 176.83 176.88 1ggw n PRO 7 N -4.72 0.09 0.01 2.24 -0.04 -1.26 -0.25 135.00 131.07 1ggw n PRO 7 Ca -0.03 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1ggw n PRO 7 Cb 0.18 -1.59 -0.01 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 -1.75 0.00 0.15 0.54 4.01 -1.18 -4.48 117.16 114.46 1ggw n TYR 8 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1ggw n TYR 8 Cb 0.37 -0.13 -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 0.87 -0.46 0.00 0.00 176.86 177.27 1ggw h LYS 9 N -0.26 -0.43 -0.18 -0.72 1.79 -0.56 -1.77 116.57 114.44 1ggw h LYS 9 Ca 0.00 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1ggw h LYS 9 Cb 0.26 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1ggw h LYS 9 CO 0.00 -0.29 0.09 0.37 -1.08 0.00 0.00 179.45 178.55 1ggw h GLN 10 N -0.97 0.19 -1.01 3.15 4.15 -0.16 -2.23 115.11 118.24 1ggw h GLN 10 Ca -0.05 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1ggw h GLN 10 Cb 0.34 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 1ggw h GLN 10 CO 0.07 0.13 0.65 0.00 -1.93 0.00 0.00 178.83 177.75 1ggw h ALA 11 N 1.09 1.40 -0.57 3.38 0.00 -0.76 -1.66 119.26 122.14 1ggw h ALA 11 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ggw h ALA 11 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ggw h ALA 11 CO -0.04 0.43 0.36 0.35 0.00 0.00 0.00 179.25 180.35 1ggw h PHE 12 N 1.17 0.68 -0.12 0.00 3.04 -0.83 -1.97 116.94 118.91 1ggw h PHE 12 Ca 0.44 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.38 1ggw h PHE 12 Cb 0.18 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1ggw h PHE 12 CO -0.00 0.40 -0.05 0.77 -2.02 0.00 0.00 178.31 177.41 1ggw h SER 13 N 0.72 0.16 -0.35 0.41 0.02 -0.74 -2.63 113.55 111.14 1ggw h SER 13 Ca 0.22 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1ggw h SER 13 Cb -0.02 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1ggw h SER 13 CO -0.08 0.24 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.72 1ggw h LEU 14 N 0.18 0.74 -3.73 5.07 3.38 -0.78 -2.96 115.31 117.21 1ggw h LEU 14 Ca 0.04 -0.20 -0.50 0.00 0.09 0.00 0.00 57.88 57.30 1ggw h LEU 14 Cb 0.21 -0.20 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1ggw h LEU 14 CO 0.01 0.85 0.65 0.49 0.09 0.00 0.00 178.44 180.53 1ggw n PHE 15 N -4.19 2.47 -2.69 1.13 3.01 -0.99 -4.88 117.46 111.32 1ggw n PHE 15 Ca 0.02 -2.41 -0.42 0.00 1.01 0.00 0.00 57.45 55.64 1ggw n PHE 15 Cb 0.34 -1.17 -0.02 0.00 -0.01 0.00 0.00 39.48 38.61 1ggw n PHE 15 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1ggw s ASP 16 N -0.91 6.59 0.27 4.37 -4.77 -1.12 -4.84 116.67 116.27 1ggw s ASP 16 Ca 0.49 -1.78 -0.02 0.00 -3.30 0.00 0.00 52.55 47.94 1ggw s ASP 16 Cb 0.39 -2.51 0.38 0.00 -1.09 0.00 0.00 42.92 40.08 1ggw s ASP 16 CO 0.01 -1.32 1.85 0.03 0.70 0.00 0.00 175.17 176.44 1ggw h ARG 17 N 9.22 0.94 0.11 2.11 2.47 -1.90 -3.05 114.38 124.28 1ggw h ARG 17 Ca 0.21 -0.16 -0.32 0.00 -1.26 0.00 0.00 59.98 58.45 1ggw h ARG 17 Cb 1.00 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1ggw h ARG 17 CO 1.33 0.77 -1.68 0.45 0.56 0.00 0.00 179.97 181.40 1ggw h HIS 18 N 0.92 0.42 -0.09 3.04 3.86 -1.89 -3.49 115.15 117.94 1ggw h HIS 18 Ca 0.22 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1ggw h HIS 18 Cb 0.19 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1ggw h HIS 18 CO 0.01 1.45 -0.02 0.41 0.86 0.00 0.00 177.93 180.65 1ggw n GLY 19 N 1.74 0.37 0.01 2.45 0.00 -1.15 -4.94 105.19 103.67 1ggw n GLY 19 Ca -0.21 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.71 0.55 0.00 2.61 -2.24 -1.26 -4.99 114.28 105.24 1ggw n THR 20 Ca -0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1ggw n THR 20 Cb 0.37 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.29 0.95 3.34 3.38 0.00 -1.26 -5.10 105.19 106.22 1ggw n GLY 21 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.95 1.32 -0.10 1.61 3.00 -1.26 -3.44 118.95 119.12 1ggw s ARG 22 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 55.73 54.01 1ggw s ARG 22 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 34.95 34.15 1ggw s ARG 22 CO 0.00 0.02 0.26 0.96 0.00 0.00 0.00 175.30 176.54 1ggw s ILE 23 N -3.23 -0.01 0.72 1.52 -4.36 -0.95 -4.17 121.20 110.73 1ggw s ILE 23 Ca 0.25 0.02 -0.06 0.00 -0.26 0.00 0.00 60.65 60.60 1ggw s ILE 23 Cb 0.03 -0.37 0.09 0.00 1.25 0.00 0.00 42.46 43.46 1ggw s ILE 23 CO 0.07 0.01 1.03 -2.16 0.24 0.00 0.00 174.94 174.13 1ggw s PRO 24 N 0.29 1.95 0.39 0.37 0.04 -1.26 -2.31 135.00 134.46 1ggw s PRO 24 Ca -0.01 -0.47 0.20 0.00 0.04 0.00 0.00 61.00 60.76 1ggw s PRO 24 Cb -0.03 -2.19 1.17 0.00 0.04 0.00 0.00 34.50 33.49 1ggw s PRO 24 CO -0.01 -1.37 1.70 1.57 0.04 0.00 0.00 177.00 178.93 1ggw h LYS 25 N -0.65 0.30 -0.84 4.56 5.09 -1.93 0.18 116.57 123.28 1ggw h LYS 25 Ca -0.43 -0.02 0.01 0.00 0.09 0.00 0.00 60.65 60.30 1ggw h LYS 25 Cb 1.30 -0.07 -0.04 0.00 0.10 0.00 0.00 32.23 33.52 1ggw h LYS 25 CO 0.53 0.20 0.55 1.79 -2.09 0.00 0.00 179.45 180.43 1ggw h THR 26 N 0.31 1.22 0.22 0.07 1.35 -1.95 -2.16 112.91 111.97 1ggw h THR 26 Ca 0.70 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 66.14 1ggw h THR 26 Cb 1.81 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1ggw h THR 26 CO -0.43 0.21 -0.11 0.28 -0.25 0.00 0.00 175.52 175.22 1ggw h SER 27 N 1.14 -0.25 -1.00 5.36 0.02 -1.00 -3.26 113.55 114.56 1ggw h SER 27 Ca 0.31 -0.28 0.25 0.00 -0.84 0.00 0.00 61.79 61.22 1ggw h SER 27 Cb -0.12 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 1ggw h SER 27 CO -0.06 0.24 0.65 0.40 -1.14 0.00 0.00 176.83 176.91 1ggw h ILE 28 N -0.84 0.58 0.00 3.27 1.08 -1.35 0.14 117.51 120.38 1ggw h ILE 28 Ca -0.03 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1ggw h ILE 28 Cb 0.51 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1ggw h ILE 28 CO 0.05 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1ggw n GLY 29 N -1.50 -2.99 0.23 5.37 0.00 -0.82 -0.14 105.19 105.35 1ggw n GLY 29 Ca 0.23 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.62 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 0.18 1.61 3.04 -1.66 -2.95 116.42 116.65 1ggw h ASP 30 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 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 0.19 -0.09 0.25 -2.04 0.00 0.00 179.24 177.56 1ggw h LEU 31 N 0.00 -0.21 -1.97 0.15 5.85 -0.78 -2.58 115.31 115.77 1ggw h LEU 31 Ca -0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ggw h LEU 31 Cb 0.38 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ggw h LEU 31 CO 0.03 -0.09 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.93 1ggw h LEU 32 N -0.32 0.00 -1.02 2.25 3.38 -0.39 -2.28 115.31 116.93 1ggw h LEU 32 Ca -0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1ggw h LEU 32 Cb 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1ggw h LEU 32 CO 0.04 0.04 0.64 -0.09 0.09 0.00 0.00 178.44 179.16 1ggw h ARG 33 N 0.00 1.02 0.00 1.13 2.43 -0.96 0.28 114.38 118.28 1ggw h ARG 33 Ca -0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1ggw h ARG 33 Cb 0.08 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1ggw h ARG 33 CO 0.01 0.68 -0.10 0.00 -1.51 0.00 0.00 179.97 179.05 1ggw h ALA 34 N 1.51 1.76 0.09 2.80 0.00 -1.40 -3.02 119.26 121.01 1ggw h ALA 34 Ca 0.47 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.97 1ggw h ALA 34 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ggw h ALA 34 CO -0.23 0.12 -1.78 0.00 0.00 0.00 0.00 179.25 177.36 1ggw n GLY 36 N 1.82 0.08 3.38 0.00 0.00 0.82 -4.58 105.19 106.72 1ggw n GLY 36 Ca -0.32 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 1.60 -0.25 1.61 -0.21 -1.21 -4.74 119.66 116.46 1ggw s GLN 37 Ca 0.00 -1.91 0.02 0.00 0.02 0.00 0.00 55.36 53.49 1ggw s GLN 37 Cb 0.00 -0.38 0.06 0.00 1.00 0.00 0.00 33.01 33.69 1ggw s GLN 37 CO 0.00 -0.36 -0.09 1.21 -2.12 0.00 0.00 175.29 173.93 1ggw s ASN 38 N -3.42 4.20 0.23 5.90 3.04 -1.26 -1.92 114.94 121.71 1ggw s ASN 38 Ca 0.35 -1.30 0.00 0.00 0.04 0.00 0.00 52.86 51.94 1ggw s ASN 38 Cb 0.06 -1.41 0.00 0.00 -1.54 0.00 0.00 41.25 38.36 1ggw s ASN 38 CO 0.15 -0.20 0.00 -0.81 -3.04 0.00 0.00 177.10 173.20 1ggw n PRO 39 N 4.52 1.07 -2.83 0.43 -0.04 -1.26 -5.02 135.00 131.86 1ggw n PRO 39 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.10 1ggw n PRO 39 Cb 0.43 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.91 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N 0.13 3.49 0.44 0.52 -4.23 -1.26 -4.95 115.64 109.78 1ggw s THR 40 Ca 0.00 -0.54 0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1ggw s THR 40 Cb 0.00 -3.30 0.36 0.00 1.34 0.00 0.00 72.50 70.90 1ggw s THR 40 CO 0.00 -0.22 1.94 -0.07 -0.54 0.00 0.00 174.62 175.73 1ggw h LEU 41 N 0.25 0.33 -1.07 4.79 -0.00 -1.99 0.30 115.31 117.93 1ggw h LEU 41 Ca -0.45 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1ggw h LEU 41 Cb 1.27 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 1ggw h LEU 41 CO 0.56 0.18 0.45 0.00 -0.00 0.00 0.00 178.44 179.62 1ggw h ALA 42 N 1.67 1.29 0.40 1.53 0.00 -1.98 -0.77 119.26 121.39 1ggw h ALA 42 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ggw h ALA 42 Cb 0.82 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ggw h ALA 42 CO -0.09 0.58 -0.19 0.93 0.00 0.00 0.00 179.25 180.48 1ggw h GLU 43 N 1.10 -0.51 -0.57 0.00 3.07 -1.31 -0.08 114.58 116.27 1ggw h GLU 43 Ca 0.28 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.24 1ggw h GLU 43 Cb 0.00 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 1ggw h GLU 43 CO -0.05 -0.21 0.27 -0.84 -1.40 0.00 0.00 179.01 176.79 1ggw h ILE 44 N -0.83 0.89 -0.78 3.13 -2.65 -1.41 -0.83 117.51 115.03 1ggw h ILE 44 Ca -0.05 -0.17 -0.02 0.00 1.03 0.00 0.00 64.86 65.64 1ggw h ILE 44 Cb 0.54 0.35 -0.04 0.00 -2.05 0.00 0.00 36.82 35.62 1ggw h ILE 44 CO 0.09 0.09 0.39 0.74 0.03 0.00 0.00 178.15 179.49 1ggw h THR 45 N 0.50 1.24 -0.86 0.16 2.02 -1.16 -1.91 112.91 112.91 1ggw h THR 45 Ca 0.27 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1ggw h THR 45 Cb 0.23 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 1ggw h THR 45 CO -0.21 0.28 0.56 -0.08 0.37 0.00 0.00 175.52 176.44 1ggw h GLU 46 N 1.09 1.02 -0.01 6.66 4.57 0.05 -1.82 114.58 126.14 1ggw h GLU 46 Ca 0.27 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1ggw h GLU 46 Cb 0.09 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1ggw h GLU 46 CO -0.04 0.68 0.00 0.82 -1.18 0.00 0.00 179.01 179.29 1ggw h ILE 47 N 1.05 1.20 -0.20 2.32 2.04 -0.55 -2.66 117.51 120.71 1ggw h ILE 47 Ca 0.34 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1ggw h ILE 47 Cb 0.05 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1ggw h ILE 47 CO -0.11 0.15 0.24 -0.33 0.00 0.00 0.00 178.15 178.10 1ggw h GLU 48 N -0.22 0.00 0.00 2.37 5.08 -0.81 -1.28 114.58 119.71 1ggw h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ggw h GLU 48 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ggw h GLU 48 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1ggw n SER 49 N -3.74 0.00 -0.02 1.42 3.41 -0.74 -3.38 113.62 110.57 1ggw n SER 49 Ca 0.02 0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.90 1ggw n SER 49 Cb 0.36 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggw n THR 50 N -1.36 0.17 -2.72 6.66 -2.24 -0.49 -5.06 114.28 109.25 1ggw n THR 50 Ca 0.02 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1ggw n THR 50 Cb 0.06 -1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 67.05 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 -5.83 3.71 0.49 3.22 2.01 -1.18 -5.02 118.68 116.09 1ggw s LEU 51 Ca -0.04 1.04 -0.17 0.00 0.01 0.00 0.00 54.13 54.96 1ggw s LEU 51 Cb 0.01 -3.96 -0.15 0.00 0.01 0.00 0.00 46.19 42.11 1ggw s LEU 51 CO 0.06 -0.50 -0.13 -2.65 1.01 0.00 0.00 176.35 174.14 1ggw n PRO 52 N -1.81 0.00 -0.23 1.29 -0.02 -1.26 -4.75 135.00 128.22 1ggw n PRO 52 Ca 0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1ggw n PRO 52 Cb 0.54 -0.97 -0.05 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.47 -0.35 -2.72 3.55 0.00 -1.26 -4.09 120.51 114.17 1ggw n ALA 53 Ca 0.08 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.60 1ggw n ALA 53 Cb 0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -5.01 4.33 -1.04 0.00 2.02 -1.26 -4.96 118.70 112.77 1ggw s GLU 54 Ca -0.07 0.39 -0.18 0.00 0.02 0.00 0.00 54.97 55.13 1ggw s GLU 54 Cb 0.06 -3.43 0.12 0.00 0.10 0.00 0.00 34.13 30.98 1ggw s GLU 54 CO 0.34 0.17 1.30 0.08 0.02 0.00 0.00 175.26 177.17 1ggw s VAL 55 N 0.60 4.64 0.90 2.63 1.01 -0.98 -4.84 120.40 124.36 1ggw s VAL 55 Ca 0.24 -1.75 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 1ggw s VAL 55 Cb -0.15 -4.89 0.20 0.00 0.00 0.00 0.00 36.38 31.55 1ggw s VAL 55 CO 0.09 -1.64 1.23 -0.90 0.00 0.00 0.00 175.10 173.87 1ggw n ASP 56 N 6.82 0.39 -0.33 3.32 5.68 -1.26 -2.25 116.55 128.92 1ggw n ASP 56 Ca 0.31 -1.62 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 1ggw n ASP 56 Cb 0.48 -0.91 0.26 0.00 -1.14 0.00 0.00 41.12 39.81 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 0.03 0.03 0.11 2.86 -1.95 0.26 114.93 116.27 1ggw h MET 57 Ca -0.40 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1ggw h MET 57 Cb 1.17 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1ggw h MET 57 CO 0.31 0.02 -0.02 1.49 1.06 0.00 0.00 176.91 179.77 1ggw h GLU 58 N 0.03 -0.04 0.06 1.72 4.81 -1.92 -1.99 114.58 117.26 1ggw h GLU 58 Ca 0.57 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1ggw h GLU 58 Cb 1.13 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1ggw h GLU 58 CO -0.88 0.38 -0.11 1.96 -0.73 0.00 0.00 179.01 179.63 1ggw h GLN 59 N -0.48 -0.21 -0.18 1.92 7.50 -1.43 0.75 115.11 122.99 1ggw h GLN 59 Ca -0.00 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.16 1ggw h GLN 59 Cb 0.44 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1ggw h GLN 59 CO 0.01 -0.14 0.11 0.35 -1.50 0.00 0.00 178.83 177.66 1ggw h PHE 60 N -0.21 0.20 -0.62 2.96 3.57 -0.66 -2.46 116.94 119.72 1ggw h PHE 60 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ggw h PHE 60 Cb 0.23 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1ggw h PHE 60 CO -0.14 0.12 0.36 -0.07 -2.23 0.00 0.00 178.31 176.36 1ggw h LEU 61 N 0.22 0.74 0.10 0.59 3.38 -1.19 0.63 115.31 119.78 1ggw h LEU 61 Ca 0.07 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ggw h LEU 61 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1ggw h LEU 61 CO -0.03 0.58 -0.16 1.56 0.09 0.00 0.00 178.44 180.49 1ggw h GLN 62 N 0.85 -0.30 -0.18 1.13 1.08 -0.39 -0.62 115.11 116.69 1ggw h GLN 62 Ca 0.22 0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.24 1ggw h GLN 62 Cb -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1ggw h GLN 62 CO -0.04 -0.20 -0.68 -0.39 -0.95 0.00 0.00 178.83 176.57 1ggw h VAL 63 N -0.31 1.30 -0.08 -0.54 -1.51 -1.28 -3.29 116.25 110.54 1ggw h VAL 63 Ca 0.02 -1.91 0.03 0.00 -1.23 0.00 0.00 66.70 63.61 1ggw h VAL 63 Cb 0.32 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.32 1ggw h VAL 63 CO -0.08 0.60 -0.15 0.25 -1.23 0.00 0.00 177.57 176.96 1ggw h LEU 64 N 0.52 -0.45 -5.43 4.19 5.85 -0.71 -2.94 115.31 116.34 1ggw h LEU 64 Ca -0.02 0.08 -0.71 0.00 0.84 0.00 0.00 57.88 58.07 1ggw h LEU 64 Cb 1.29 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 1ggw h LEU 64 CO 0.14 -0.20 3.13 0.59 -0.34 0.00 0.00 178.44 181.76 1ggw n ASN 65 N -5.29 7.80 0.10 1.25 3.02 -0.25 -4.72 115.26 117.16 1ggw n ASN 65 Ca -0.04 -2.84 -0.12 0.00 -0.03 0.00 0.00 54.58 51.54 1ggw n ASN 65 Cb 0.21 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.83 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 5.00 -0.26 -0.86 3.52 2.43 -1.68 -2.40 114.38 120.13 1ggw h ARG 66 Ca 0.75 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.94 1ggw h ARG 66 Cb 0.35 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ggw h ARG 66 CO 1.67 -0.17 0.00 -0.35 -1.51 0.00 0.00 179.97 179.61 1ggw n PRO 67 N -5.25 1.10 -2.64 0.20 -0.04 -1.26 -4.94 135.00 122.16 1ggw n PRO 67 Ca -0.07 -0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.26 1ggw n PRO 67 Cb 0.17 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.04 -1.65 0.00 3.54 2.85 -0.91 -4.92 115.26 114.13 1ggw n ASN 68 Ca 0.01 1.34 0.00 0.00 -0.11 0.00 0.00 54.58 55.82 1ggw n ASN 68 Cb 0.24 -5.11 0.00 0.00 1.24 0.00 0.00 39.78 36.15 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 1.63 1.59 0.16 8.20 0.00 -1.26 -4.95 105.19 110.57 1ggw n GLY 69 Ca -0.36 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N -1.67 0.00 -1.94 1.61 3.72 -1.26 -4.51 117.46 113.40 1ggw n PHE 70 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1ggw n PHE 70 Cb 0.00 -0.94 -0.01 0.00 -0.94 0.00 0.00 39.48 37.59 1ggw n PHE 70 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 71 N -4.22 7.52 0.18 4.37 2.03 -1.26 -4.08 116.55 121.09 1ggw n ASP 71 Ca -0.51 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 51.76 1ggw n ASP 71 Cb 0.86 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1ggw n ASP 71 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1ggw n MET 72 N 2.51 0.00 -0.26 -0.67 0.00 -1.26 -4.96 117.12 112.47 1ggw n MET 72 Ca 0.61 0.00 0.06 0.00 0.00 0.00 0.00 57.70 58.37 1ggw n MET 72 Cb 0.27 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.69 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 0.42 0.00 0.03 0.11 -1.79 -3.43 132.00 127.34 1ggw h PRO 73 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ggw h PRO 73 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1ggw h PRO 73 CO 0.00 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 178.48 1ggw n GLY 74 N -1.33 -1.67 3.67 -0.55 0.00 -1.26 -5.04 105.19 99.02 1ggw n GLY 74 Ca 0.15 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.54 1ggw n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggw s ASP 75 N 0.00 7.17 0.22 1.61 -1.08 -1.26 -4.83 116.67 118.50 1ggw s ASP 75 Ca 0.00 1.45 -0.09 0.00 -0.52 0.00 0.00 52.55 53.39 1ggw s ASP 75 Cb 0.00 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.11 1ggw s ASP 75 CO 0.00 -0.55 1.90 -0.65 0.52 0.00 0.00 175.17 176.39 1ggw h PRO 76 N 7.27 1.11 0.00 4.34 0.11 -1.97 -1.98 132.00 140.88 1ggw h PRO 76 Ca -0.25 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1ggw h PRO 76 Cb 1.11 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1ggw h PRO 76 CO 0.91 0.73 -0.27 1.49 -0.21 0.00 0.00 178.00 180.65 1ggw h GLU 77 N 1.14 0.00 0.05 1.05 4.81 -1.98 -2.27 114.58 117.38 1ggw h GLU 77 Ca 0.31 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1ggw h GLU 77 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1ggw h GLU 77 CO -0.07 0.27 -0.02 1.49 -0.73 0.00 0.00 179.01 179.95 1ggw h GLU 78 N 0.00 -0.07 -0.84 1.92 4.81 -1.77 -1.59 114.58 117.04 1ggw h GLU 78 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ggw h GLU 78 Cb 0.57 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1ggw h GLU 78 CO 0.04 0.34 0.43 0.27 -0.73 0.00 0.00 179.01 179.35 1ggw h PHE 79 N -0.48 1.19 -0.79 0.92 -5.15 -1.40 -2.38 116.94 108.84 1ggw h PHE 79 Ca -0.01 -0.04 -0.03 0.00 -0.20 0.00 0.00 57.97 57.69 1ggw h PHE 79 Cb 0.43 -0.37 -0.04 0.00 0.22 0.00 0.00 35.95 36.19 1ggw h PHE 79 CO 0.06 0.84 0.38 0.28 -2.00 0.00 0.00 178.31 177.87 1ggw h VAL 80 N 1.18 1.25 -0.75 0.88 2.07 -1.40 -2.58 116.25 116.91 1ggw h VAL 80 Ca 0.29 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ggw h VAL 80 Cb 0.08 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1ggw h VAL 80 CO -0.04 0.30 0.31 0.50 0.02 0.00 0.00 177.57 178.65 1ggw h LYS 81 N 1.12 1.10 -0.23 1.57 1.63 -0.79 0.30 116.57 121.27 1ggw h LYS 81 Ca 0.27 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1ggw h LYS 81 Cb 0.12 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1ggw h LYS 81 CO -0.03 0.89 0.10 0.78 -3.45 0.00 0.00 179.45 177.73 1ggw h GLY 82 N 1.12 0.36 1.45 5.01 0.00 -1.07 -3.10 103.07 106.85 1ggw h GLY 82 Ca 0.25 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 1ggw h GLY 82 CO -0.02 0.18 -0.87 0.74 0.00 0.00 0.00 176.54 176.56 1ggw h PHE 83 N 0.23 0.73 -0.19 5.60 0.04 -1.38 -3.37 116.94 118.60 1ggw h PHE 83 Ca 0.08 -0.36 -0.69 0.00 2.80 0.00 0.00 57.97 59.80 1ggw h PHE 83 Cb 0.15 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1ggw h PHE 83 CO -0.02 1.17 2.82 0.94 -0.60 0.00 0.00 178.31 182.62 1ggw n GLN 84 N -3.82 2.76 0.07 1.51 7.27 0.10 -4.26 117.38 121.02 1ggw n GLN 84 Ca -0.07 -2.67 0.00 0.00 0.07 0.00 0.00 57.00 54.34 1ggw n GLN 84 Cb 0.79 -3.31 0.00 0.00 2.41 0.00 0.00 30.24 30.13 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ggw n VAL 85 N 5.52 0.47 -1.18 1.69 0.31 -1.26 -4.81 118.33 119.07 1ggw n VAL 85 Ca 0.51 0.15 0.04 0.00 -0.01 0.00 0.00 64.34 65.04 1ggw n VAL 85 Cb 0.41 -0.92 0.22 0.00 -0.91 0.00 0.00 33.84 32.64 1ggw n VAL 85 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ggw n PHE 86 N -3.23 0.82 -3.43 3.52 7.35 -1.26 -4.79 117.46 116.45 1ggw n PHE 86 Ca 0.00 -1.17 -0.26 0.00 -0.76 0.00 0.00 57.45 55.26 1ggw n PHE 86 Cb 0.00 -0.35 -0.09 0.00 0.35 0.00 0.00 39.48 39.39 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ggw n ASP 87 N -0.89 1.66 -0.09 -2.13 -0.08 -1.26 -4.93 116.55 108.83 1ggw n ASP 87 Ca 0.25 -2.95 -0.13 0.00 -1.51 0.00 0.00 54.79 50.44 1ggw n ASP 87 Cb 0.90 -0.65 -0.04 0.00 2.34 0.00 0.00 41.12 43.66 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ggw h LYS 88 N 4.63 0.64 0.00 -0.67 1.57 -1.94 -3.38 116.57 117.42 1ggw h LYS 88 Ca 0.16 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ggw h LYS 88 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1ggw h LYS 88 CO 0.60 0.92 -0.29 0.22 -0.57 0.00 0.00 179.45 180.33 1ggw h ASP 89 N 0.37 0.00 0.00 0.86 3.58 -2.01 -3.47 116.42 115.75 1ggw h ASP 89 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1ggw h ASP 89 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1ggw h ASP 89 CO 0.06 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 1ggw n ALA 90 N -3.07 0.00 -0.26 -0.78 0.00 -1.26 -4.85 120.51 110.29 1ggw n ALA 90 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ggw n ALA 90 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.00 -2.96 0.00 -1.04 -1.26 -3.54 114.28 105.48 1ggw n THR 91 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1ggw n THR 91 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 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 0.00 2.01 3.65 3.41 0.00 -1.26 -5.10 105.19 107.90 1ggw n GLY 92 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1ggw n GLY 92 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ggw s MET 93 N -0.97 0.14 -0.00 1.61 0.23 -1.23 -4.45 119.30 114.63 1ggw s MET 93 Ca 0.31 0.23 -0.01 0.00 -1.03 0.00 0.00 55.69 55.19 1ggw s MET 93 Cb 0.30 0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1ggw s MET 93 CO -0.08 -0.03 0.09 -1.50 -2.03 0.00 0.00 175.02 171.48 1ggw s ILE 94 N 0.98 4.81 -0.86 3.16 -1.16 -1.26 -4.76 121.20 122.12 1ggw s ILE 94 Ca -0.06 -0.38 -0.03 0.00 -0.51 0.00 0.00 60.65 59.66 1ggw s ILE 94 Cb -0.03 -3.21 0.21 0.00 0.61 0.00 0.00 42.46 40.04 1ggw s ILE 94 CO -0.11 0.34 0.74 -0.83 -2.81 0.00 0.00 174.94 172.27 1ggw s GLY 95 N -1.77 2.96 0.33 1.50 0.00 -1.26 -3.03 107.32 106.05 1ggw s GLY 95 Ca 0.23 -3.71 0.20 0.00 0.00 0.00 0.00 44.72 41.45 1ggw s GLY 95 CO 0.15 1.19 1.38 -0.62 0.00 0.00 0.00 173.10 175.20 1ggw n VAL 96 N 2.66 -0.34 -0.30 1.40 0.31 0.11 0.20 118.33 122.37 1ggw n VAL 96 Ca 0.19 1.74 0.12 0.00 -0.01 0.00 0.00 64.34 66.38 1ggw n VAL 96 Cb 0.38 -2.84 0.29 0.00 -0.91 0.00 0.00 33.84 30.76 1ggw n VAL 96 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ggw h GLY 97 N 0.00 1.50 1.34 2.92 0.00 -1.91 0.30 103.07 107.21 1ggw h GLY 97 Ca 0.75 -0.18 -0.32 0.00 0.00 0.00 0.00 47.33 47.59 1ggw h GLY 97 CO -0.63 -0.23 -1.45 1.05 0.00 0.00 0.00 176.54 175.28 1ggw h GLU 98 N 0.43 0.40 -0.97 4.80 4.11 -0.60 -2.59 114.58 120.17 1ggw h GLU 98 Ca 0.54 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1ggw h GLU 98 Cb 0.99 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1ggw h GLU 98 CO -0.50 1.32 0.60 1.37 0.07 0.00 0.00 179.01 181.86 1ggw h LEU 99 N 0.11 1.14 -0.07 3.06 8.10 -0.93 -1.89 115.31 124.83 1ggw h LEU 99 Ca -0.23 -0.05 -0.25 0.00 0.11 0.00 0.00 57.88 57.46 1ggw h LEU 99 Cb 2.08 -0.29 0.01 0.00 -0.44 0.00 0.00 40.66 42.03 1ggw h LEU 99 CO 0.23 0.86 -0.98 0.08 -4.11 0.00 0.00 178.44 174.52 1ggw h ARG 100 N 1.32 0.64 -0.72 0.17 -0.00 -0.57 -2.04 114.38 113.19 1ggw h ARG 100 Ca 0.35 -0.66 0.06 0.00 -0.00 0.00 0.00 59.98 59.73 1ggw h ARG 100 Cb -0.09 0.18 -0.04 0.00 -0.00 0.00 0.00 29.97 30.01 1ggw h ARG 100 CO -0.07 1.26 0.47 -0.92 -0.00 0.00 0.00 179.97 180.71 1ggw h TYR 101 N 0.37 0.75 0.20 4.08 3.20 -1.08 0.80 116.97 125.31 1ggw h TYR 101 Ca -0.11 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.45 1ggw h TYR 101 Cb 1.62 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 39.66 1ggw h TYR 101 CO 0.09 0.40 -1.58 0.28 -1.64 0.00 0.00 178.16 175.71 1ggw h VAL 102 N 0.75 1.15 0.02 1.81 2.07 -1.37 -3.30 116.25 117.38 1ggw h VAL 102 Ca 0.31 -2.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1ggw h VAL 102 Cb 0.26 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1ggw h VAL 102 CO -0.10 0.84 -0.15 -0.07 0.02 0.00 0.00 177.57 178.11 1ggw h LEU 103 N 0.12 0.09 -1.15 2.57 3.38 -1.02 -3.35 115.31 115.95 1ggw h LEU 103 Ca -0.28 -0.98 0.15 0.00 0.09 0.00 0.00 57.88 56.86 1ggw h LEU 103 Cb 2.11 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.75 1ggw h LEU 103 CO 0.22 1.06 0.60 0.74 0.09 0.00 0.00 178.44 181.15 1ggw h THR 104 N -0.87 0.83 0.00 0.22 2.02 0.43 -0.06 112.91 115.48 1ggw h THR 104 Ca -0.03 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ggw h THR 104 Cb 1.10 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ggw h THR 104 CO 0.03 0.15 -0.01 0.77 0.37 0.00 0.00 175.52 176.82 1ggw h SER 105 N 0.80 0.00 0.00 4.18 4.64 -1.69 -1.91 113.55 119.56 1ggw h SER 105 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1ggw h SER 105 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1ggw h SER 105 CO -0.26 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 175.89 1ggw n LEU 106 N -3.88 0.80 -2.58 5.97 4.77 -0.04 -4.74 117.00 117.31 1ggw n LEU 106 Ca -0.03 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1ggw n LEU 106 Cb 0.10 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1ggw n LEU 106 CO 0.28 0.00 0.01 0.61 -1.33 0.00 0.00 177.39 176.96 1ggw n GLY 107 N 0.85 3.18 3.12 -0.72 0.00 -1.25 -4.97 105.19 105.41 1ggw n GLY 107 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.37 -5.49 0.00 1.61 -0.58 -0.72 -5.03 120.64 110.06 1ggw n GLU 108 Ca 0.19 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 1ggw n GLU 108 Cb 0.80 -5.44 0.00 0.00 -0.57 0.00 0.00 31.44 26.23 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 -3.68 2.66 -1.62 3.49 4.76 -1.25 -4.61 118.16 117.91 1ggw n LYS 109 Ca -0.24 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.87 1ggw n LYS 109 Cb 0.65 0.00 -0.07 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 3.06 0.00 -0.35 4.77 -1.26 -4.78 117.00 118.44 1ggw n LEU 110 Ca 0.00 -2.90 -0.08 0.00 -0.03 0.00 0.00 56.01 53.00 1ggw n LEU 110 Cb 0.00 -1.45 0.07 0.00 -2.33 0.00 0.00 43.42 39.71 1ggw n LEU 110 CO 0.00 -1.57 0.16 -1.54 -1.33 0.00 0.00 177.39 173.11 1ggw n SER 111 N 12.39 -1.52 -0.29 -1.43 3.41 -1.26 -4.39 113.62 120.54 1ggw n SER 111 Ca 0.46 -0.61 0.08 0.00 -0.26 0.00 0.00 58.87 58.54 1ggw n SER 111 Cb 0.44 -0.28 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 1ggw n SER 111 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ggw h ASN 112 N -1.64 0.44 -0.11 4.04 4.21 -1.96 -0.74 115.58 119.82 1ggw h ASN 112 Ca -0.11 0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1ggw h ASN 112 Cb 0.35 0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1ggw h ASN 112 CO 0.07 0.16 0.03 -0.08 -1.29 0.00 0.00 177.43 176.32 1ggw h GLU 113 N 0.54 0.18 0.17 0.81 4.81 -1.97 0.29 114.58 119.41 1ggw h GLU 113 Ca 0.47 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1ggw h GLU 113 Cb 0.72 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1ggw h GLU 113 CO -0.40 0.34 -0.19 0.93 -0.73 0.00 0.00 179.01 178.96 1ggw h GLU 114 N -0.02 -0.38 0.00 1.92 5.08 -1.66 -2.07 114.58 117.45 1ggw h GLU 114 Ca 0.04 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ggw h GLU 114 Cb 0.24 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ggw h GLU 114 CO -0.00 -0.25 -0.26 0.00 -1.00 0.00 0.00 179.01 177.49 1ggw h MET 115 N -0.40 0.00 -0.44 2.33 -0.00 -1.17 -2.73 114.93 112.52 1ggw h MET 115 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 1ggw h MET 115 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.95 1ggw h MET 115 CO -0.06 0.26 0.25 -0.44 -0.00 0.00 0.00 176.91 176.92 1ggw h ASP 116 N 0.00 0.38 -0.35 -0.10 3.32 0.27 0.30 116.42 120.25 1ggw h ASP 116 Ca -0.00 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1ggw h ASP 116 Cb 0.54 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1ggw h ASP 116 CO 0.03 0.27 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.24 1ggw h GLU 117 N 0.50 0.79 -0.60 3.56 5.08 -1.28 -1.49 114.58 121.14 1ggw h GLU 117 Ca 0.18 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1ggw h GLU 117 Cb 0.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1ggw h GLU 117 CO -0.10 1.02 0.30 1.37 -1.00 0.00 0.00 179.01 180.60 1ggw h LEU 118 N 0.58 0.77 -0.81 1.33 8.10 -1.16 -2.43 115.31 121.68 1ggw h LEU 118 Ca 0.07 -0.12 -0.12 0.00 0.11 0.00 0.00 57.88 57.81 1ggw h LEU 118 Cb 0.83 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 1ggw h LEU 118 CO 0.07 0.67 -0.48 -0.07 -4.11 0.00 0.00 178.44 174.52 1ggw h LEU 119 N 0.81 0.29 -0.79 0.17 3.38 -0.38 -2.75 115.31 116.04 1ggw h LEU 119 Ca 0.21 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ggw h LEU 119 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ggw h LEU 119 CO -0.03 0.73 0.29 0.11 0.09 0.00 0.00 178.44 179.63 1ggw h LYS 120 N 0.22 1.19 -0.04 1.13 1.57 -0.93 -3.19 116.57 116.52 1ggw h LYS 120 Ca 0.01 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1ggw h LYS 120 Cb 0.93 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ggw h LYS 120 CO 0.08 0.97 -0.07 0.78 -0.57 0.00 0.00 179.45 180.64 1ggw h GLY 121 N 1.15 0.12 -5.01 3.86 0.00 -1.36 -3.43 103.07 98.41 1ggw h GLY 121 Ca 0.26 -0.14 -0.57 0.00 0.00 0.00 0.00 47.33 46.88 1ggw h GLY 121 CO -0.02 0.13 0.44 0.14 0.00 0.00 0.00 176.54 177.23 1ggw s VAL 122 N -4.01 4.85 -1.33 4.60 1.01 -1.05 -4.95 120.40 119.52 1ggw s VAL 122 Ca -0.16 1.82 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 1ggw s VAL 122 Cb 0.02 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 1ggw s VAL 122 CO 0.70 0.04 2.98 -0.81 0.00 0.00 0.00 175.10 178.01 1ggw n PRO 123 N 4.94 3.32 -4.17 2.72 -0.04 -1.26 -4.79 135.00 135.72 1ggw n PRO 123 Ca 0.06 -1.96 -0.23 0.00 -0.04 0.00 0.00 63.50 61.33 1ggw n PRO 123 Cb 0.49 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.48 0.00 -5.21 0.52 0.24 -1.26 -5.13 118.33 110.96 1ggw n VAL 124 Ca 0.71 -2.17 -0.32 0.00 -2.04 0.00 0.00 64.34 60.52 1ggw n VAL 124 Cb 0.32 0.80 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ggw s LYS 125 N -3.40 2.55 -0.65 7.34 1.02 -1.26 -4.61 119.74 120.73 1ggw s LYS 125 Ca 0.20 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.31 1ggw s LYS 125 Cb 0.01 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1ggw s LYS 125 CO 0.14 0.41 0.00 -0.25 -0.92 0.00 0.00 175.35 174.73 1ggw n ASP 126 N 2.88 -4.74 -2.89 2.83 8.00 -1.26 -3.40 116.55 117.97 1ggw n ASP 126 Ca -0.17 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.35 1ggw n ASP 126 Cb 0.52 -2.78 0.06 0.00 -0.02 0.00 0.00 41.12 38.90 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 -0.90 -0.49 3.43 0.44 0.00 -1.26 -0.71 105.19 105.69 1ggw n GLY 127 Ca -0.06 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.52 3.13 0.00 1.61 0.00 -1.17 -3.26 119.30 115.08 1ggw s MET 128 Ca 0.20 -0.88 0.14 0.00 0.00 0.00 0.00 55.69 55.16 1ggw s MET 128 Cb -0.03 -3.69 0.24 0.00 0.00 0.00 0.00 34.83 31.35 1ggw s MET 128 CO 0.58 -0.56 1.07 0.28 0.00 0.00 0.00 175.02 176.39 1ggw n VAL 129 N 5.02 0.00 -1.70 10.11 0.31 -1.26 -4.83 118.33 125.98 1ggw n VAL 129 Ca -0.13 -0.56 -0.20 0.00 -0.01 0.00 0.00 64.34 63.44 1ggw n VAL 129 Cb 0.48 0.75 -0.08 0.00 -0.91 0.00 0.00 33.84 34.08 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 0.28 -5.38 -0.44 4.52 2.85 -1.26 -4.58 115.26 111.25 1ggw n ASN 130 Ca 0.01 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1ggw n ASN 130 Cb 0.94 -4.72 0.00 0.00 1.24 0.00 0.00 39.78 37.24 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ggw n TYR 131 N -2.55 -1.32 0.00 1.20 9.36 -1.26 -4.75 117.16 117.83 1ggw n TYR 131 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 1ggw n TYR 131 Cb 0.67 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.56 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 -0.87 0.00 -0.34 2.98 8.25 -1.26 -4.43 115.22 119.55 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 0.79 0.48 0.41 1.82 -1.85 0.59 116.42 118.67 1ggw h ASP 133 Ca 0.00 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 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 -0.23 -0.26 -1.61 0.00 0.00 179.24 177.48 1ggw h PHE 134 N 0.81 -0.60 -0.27 0.28 0.04 -1.92 -2.75 116.94 112.53 1ggw h PHE 134 Ca 0.54 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.31 1ggw h PHE 134 Cb 0.78 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1ggw h PHE 134 CO -0.00 -0.29 0.18 0.28 -0.60 0.00 0.00 178.31 177.88 1ggw h VAL 135 N -1.06 1.03 0.44 -0.55 2.07 -1.83 -1.01 116.25 115.35 1ggw h VAL 135 Ca -0.07 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ggw h VAL 135 Cb 0.58 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ggw h VAL 135 CO 0.11 0.05 -0.21 -0.61 0.02 0.00 0.00 177.57 176.93 1ggw h GLN 136 N 0.29 -0.57 -0.03 1.57 4.15 0.19 -1.20 115.11 119.51 1ggw h GLN 136 Ca 0.11 0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1ggw h GLN 136 Cb 0.06 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1ggw h GLN 136 CO -0.02 -0.34 -0.31 1.98 -1.93 0.00 0.00 178.83 178.20 1ggw h MET 137 N -0.65 0.05 -0.00 1.69 4.05 -1.20 -3.05 114.93 115.81 1ggw h MET 137 Ca -0.06 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1ggw h MET 137 Cb 0.49 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1ggw h MET 137 CO 0.10 0.36 0.00 0.82 0.23 0.00 0.00 176.91 178.42 1ggw h ILE 138 N 0.05 1.14 -2.47 1.77 1.08 -0.94 -3.27 117.51 114.85 1ggw h ILE 138 Ca 0.01 -0.40 -0.76 0.00 -0.39 0.00 0.00 64.86 63.31 1ggw h ILE 138 Cb 0.57 1.41 -0.31 0.00 -3.07 0.00 0.00 36.82 35.42 1ggw h ILE 138 CO 0.04 0.11 0.57 0.18 -0.69 0.00 0.00 178.15 178.35 1ggw n LEU 139 N -5.01 6.31 -2.75 1.44 4.32 -0.48 -4.61 117.00 116.23 1ggw n LEU 139 Ca -0.07 -5.38 -0.03 0.00 -0.02 0.00 0.00 56.01 50.51 1ggw n LEU 139 Cb 0.11 -1.07 0.08 0.00 -1.62 0.00 0.00 43.42 40.92 1ggw n LEU 139 CO 0.33 1.97 0.24 0.00 -1.22 0.00 0.00 177.39 178.72 1ggw n ALA 140 N 0.48 2.67 -1.65 -1.18 0.00 -1.20 -4.90 120.51 114.72 1ggw n ALA 140 Ca 0.36 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1ggw n ALA 140 Cb 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1ggw n ALA 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77