#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 1.14 -0.12 2.46 5.66 -1.26 -4.80 114.28 117.36 1ggw n THR 3 Ca 0.00 -2.11 -0.24 0.00 -3.05 0.00 0.00 64.05 58.65 1ggw n THR 3 Cb 0.00 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ggw n ASP 4 N -0.37 1.90 -4.57 1.09 9.92 -1.26 -4.76 116.55 118.50 1ggw n ASP 4 Ca 0.13 0.17 -0.41 0.00 -0.53 0.00 0.00 54.79 54.14 1ggw n ASP 4 Cb 0.90 -0.62 -0.01 0.00 -0.64 0.00 0.00 41.12 40.74 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ggw s ASP 5 N -6.96 6.62 0.06 -2.24 1.01 -1.26 -4.80 116.67 109.10 1ggw s ASP 5 Ca -0.34 -2.09 -0.20 0.00 0.71 0.00 0.00 52.55 50.63 1ggw s ASP 5 Cb 0.12 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.35 1ggw s ASP 5 CO 0.47 -1.39 1.45 -1.28 0.21 0.00 0.00 175.17 174.63 1ggw h SER 6 N 8.39 0.35 -0.02 0.27 0.87 -1.95 0.12 113.55 121.57 1ggw h SER 6 Ca 0.36 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ggw h SER 6 Cb 0.92 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1ggw h SER 6 CO 1.44 0.64 0.00 -0.81 -0.53 0.00 0.00 176.83 177.56 1ggw n PRO 7 N -4.65 1.20 0.02 2.24 -0.04 -1.26 0.18 135.00 132.69 1ggw n PRO 7 Ca -0.05 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1ggw n PRO 7 Cb 0.27 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.57 -0.18 0.07 0.54 4.01 -1.19 -4.64 117.16 115.19 1ggw n TYR 8 Ca 0.19 0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1ggw n TYR 8 Cb 0.16 0.11 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.24 -0.06 -0.72 3.64 -1.25 -1.59 116.57 116.36 1ggw h LYS 9 Ca 0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ggw h LYS 9 Cb 0.00 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ggw h LYS 9 CO 0.00 0.15 0.03 0.37 -2.27 0.00 0.00 179.45 177.73 1ggw h GLN 10 N -0.90 0.08 -0.85 1.90 5.75 -0.93 -2.55 115.11 117.61 1ggw h GLN 10 Ca -0.03 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1ggw h GLN 10 Cb 0.50 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 1ggw h GLN 10 CO 0.04 0.17 0.56 0.00 -2.65 0.00 0.00 178.83 176.96 1ggw h ALA 11 N 0.90 1.49 -0.39 3.38 0.00 -0.40 -2.10 119.26 122.15 1ggw h ALA 11 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ggw h ALA 11 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1ggw h ALA 11 CO -0.00 0.42 0.22 0.35 0.00 0.00 0.00 179.25 180.24 1ggw h PHE 12 N 1.04 0.42 -0.14 0.00 3.04 -1.02 -2.06 116.94 118.22 1ggw h PHE 12 Ca 0.35 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1ggw h PHE 12 Cb 0.07 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1ggw h PHE 12 CO -0.00 0.24 -0.05 0.77 -2.02 0.00 0.00 178.31 177.25 1ggw h SER 13 N 0.45 0.18 -0.80 0.41 0.02 -0.99 -2.69 113.55 110.14 1ggw h SER 13 Ca 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ggw h SER 13 Cb 0.02 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1ggw h SER 13 CO -0.08 0.26 0.51 -0.07 -1.14 0.00 0.00 176.83 176.31 1ggw h LEU 14 N 0.19 0.94 -3.69 5.07 3.38 -0.85 -2.47 115.31 117.88 1ggw h LEU 14 Ca 0.05 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.51 1ggw h LEU 14 Cb 0.21 -0.23 -0.24 0.00 0.09 0.00 0.00 40.66 40.49 1ggw h LEU 14 CO 0.01 0.69 0.61 0.49 0.09 0.00 0.00 178.44 180.33 1ggw n PHE 15 N -4.40 2.53 -2.76 1.13 3.72 -1.01 -4.88 117.46 111.78 1ggw n PHE 15 Ca 0.09 -2.05 -0.42 0.00 -0.05 0.00 0.00 57.45 55.01 1ggw n PHE 15 Cb 0.04 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 37.53 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ggw s ASP 16 N -0.95 6.36 0.22 4.37 -1.08 -0.93 -4.81 116.67 119.85 1ggw s ASP 16 Ca 0.49 -1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 51.22 1ggw s ASP 16 Cb 0.40 -2.47 0.20 0.00 -1.46 0.00 0.00 42.92 39.59 1ggw s ASP 16 CO 0.05 -1.42 1.60 0.03 0.52 0.00 0.00 175.17 175.94 1ggw h ARG 17 N 9.50 0.63 0.15 4.34 2.47 -1.90 -3.28 114.38 126.28 1ggw h ARG 17 Ca -0.07 -0.30 -0.33 0.00 -1.26 0.00 0.00 59.98 58.02 1ggw h ARG 17 Cb 1.04 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1ggw h ARG 17 CO 1.23 0.89 -1.71 0.45 0.56 0.00 0.00 179.97 181.39 1ggw h HIS 18 N 0.52 0.57 0.00 3.04 3.86 -1.89 -3.49 115.15 117.77 1ggw h HIS 18 Ca 0.05 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1ggw h HIS 18 Cb 0.87 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1ggw h HIS 18 CO 0.04 1.67 0.00 0.41 0.86 0.00 0.00 177.93 180.91 1ggw n GLY 19 N 1.85 0.90 0.00 2.45 0.00 -1.24 -4.96 105.19 104.20 1ggw n GLY 19 Ca -0.27 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -2.19 0.00 0.00 2.61 -2.24 -1.26 -4.98 114.28 106.22 1ggw n THR 20 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ggw n THR 20 Cb 0.00 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.43 1.95 3.23 3.38 0.00 -1.26 -5.10 105.19 108.82 1ggw n GLY 21 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.38 0.99 -0.08 1.61 1.81 -1.26 -3.48 118.95 118.15 1ggw s ARG 22 Ca 0.00 -1.25 -0.05 0.00 -1.72 0.00 0.00 55.73 52.71 1ggw s ARG 22 Cb 0.00 -0.77 0.04 0.00 -0.45 0.00 0.00 34.95 33.76 1ggw s ARG 22 CO 0.00 0.14 0.20 0.96 -0.68 0.00 0.00 175.30 175.92 1ggw s ILE 23 N -2.38 -0.03 0.75 1.52 -4.36 -0.93 -4.31 121.20 111.46 1ggw s ILE 23 Ca 0.09 0.12 -0.08 0.00 -0.26 0.00 0.00 60.65 60.52 1ggw s ILE 23 Cb -0.03 -0.31 0.08 0.00 1.25 0.00 0.00 42.46 43.45 1ggw s ILE 23 CO 0.02 0.05 1.07 -2.16 0.24 0.00 0.00 174.94 174.16 1ggw s PRO 24 N 0.94 1.95 0.38 0.37 0.04 -1.26 -2.62 135.00 134.81 1ggw s PRO 24 Ca -0.07 -0.27 0.19 0.00 0.04 0.00 0.00 61.00 60.88 1ggw s PRO 24 Cb -0.09 -2.11 1.14 0.00 0.04 0.00 0.00 34.50 33.49 1ggw s PRO 24 CO -0.06 -1.44 1.70 1.57 0.04 0.00 0.00 177.00 178.82 1ggw h LYS 25 N -0.78 0.32 -0.72 4.56 2.10 -1.91 0.23 116.57 120.37 1ggw h LYS 25 Ca -0.44 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 1ggw h LYS 25 Cb 1.31 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.53 1ggw h LYS 25 CO 0.57 0.21 0.37 1.79 -2.00 0.00 0.00 179.45 180.40 1ggw h THR 26 N 0.33 1.23 -0.13 0.07 1.35 -1.95 -1.94 112.91 111.87 1ggw h THR 26 Ca 0.69 -0.60 -0.06 0.00 -0.55 0.00 0.00 66.41 65.89 1ggw h THR 26 Cb 1.75 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1ggw h THR 26 CO -0.44 0.26 -0.17 0.28 -0.25 0.00 0.00 175.52 175.20 1ggw h SER 27 N 1.00 0.37 -0.59 5.36 0.02 -0.93 -3.18 113.55 115.59 1ggw h SER 27 Ca 0.25 -0.51 0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1ggw h SER 27 Cb 0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1ggw h SER 27 CO -0.04 0.80 0.39 0.40 -1.14 0.00 0.00 176.83 177.25 1ggw h ILE 28 N -0.06 1.02 0.00 3.27 1.08 -1.21 -0.21 117.51 121.40 1ggw h ILE 28 Ca 0.02 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1ggw h ILE 28 Cb 0.72 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1ggw h ILE 28 CO 0.04 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1ggw n GLY 29 N -1.48 -2.65 0.25 5.37 0.00 -0.74 -0.76 105.19 105.19 1ggw n GLY 29 Ca 0.08 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 0.09 1.61 3.04 -1.62 -2.73 116.42 116.81 1ggw h ASP 30 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ggw h ASP 30 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1ggw h ASP 30 CO 0.00 0.11 -0.04 0.25 -2.04 0.00 0.00 179.24 177.52 1ggw h LEU 31 N 0.00 -0.10 -1.70 0.15 5.85 -0.84 -2.56 115.31 116.11 1ggw h LEU 31 Ca -0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1ggw h LEU 31 Cb 0.22 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ggw h LEU 31 CO 0.01 0.00 0.01 -0.07 -0.34 0.00 0.00 178.44 178.06 1ggw h LEU 32 N -0.19 0.17 -1.04 2.25 3.38 -0.65 -2.38 115.31 116.85 1ggw h LEU 32 Ca -0.01 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1ggw h LEU 32 Cb 0.16 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1ggw h LEU 32 CO 0.02 0.21 0.63 -0.09 0.09 0.00 0.00 178.44 179.29 1ggw h ARG 33 N 0.20 0.99 -0.33 1.13 2.43 -1.01 -0.37 114.38 117.41 1ggw h ARG 33 Ca 0.05 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ggw h ARG 33 Cb 0.12 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1ggw h ARG 33 CO 0.00 0.65 0.09 0.00 -1.51 0.00 0.00 179.97 179.20 1ggw h ALA 34 N 1.52 1.54 0.06 2.80 0.00 -1.35 -2.91 119.26 120.92 1ggw h ALA 34 Ca 0.47 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1ggw h ALA 34 Cb 0.41 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ggw h ALA 34 CO -0.23 0.35 -0.72 0.00 0.00 0.00 0.00 179.25 178.65 1ggw n GLY 36 N 1.30 -1.53 3.35 0.00 0.00 -0.30 -5.11 105.19 102.90 1ggw n GLY 36 Ca -0.12 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.30 1.43 -0.19 1.61 -0.44 -1.22 -4.79 119.66 115.76 1ggw s GLN 37 Ca 0.00 -1.76 0.01 0.00 -2.50 0.00 0.00 55.36 51.11 1ggw s GLN 37 Cb 0.00 -0.50 0.03 0.00 -1.64 0.00 0.00 33.01 30.90 1ggw s GLN 37 CO 0.00 -0.21 -0.14 1.21 0.50 0.00 0.00 175.29 176.65 1ggw s ASN 38 N -3.35 3.26 0.21 6.67 3.04 -1.26 -2.20 114.94 121.31 1ggw s ASN 38 Ca 0.34 -0.77 0.00 0.00 0.04 0.00 0.00 52.86 52.47 1ggw s ASN 38 Cb 0.07 -1.34 0.00 0.00 -1.54 0.00 0.00 41.25 38.45 1ggw s ASN 38 CO 0.12 -0.08 0.00 -0.81 -3.04 0.00 0.00 177.10 173.29 1ggw n PRO 39 N 4.65 0.89 -3.08 0.43 -0.04 -1.26 -5.01 135.00 131.59 1ggw n PRO 39 Ca -0.17 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 1ggw n PRO 39 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.09 4.08 0.50 0.52 -4.23 -1.26 -4.98 115.64 110.17 1ggw s THR 40 Ca 0.00 -0.56 0.20 0.00 -1.18 0.00 0.00 61.69 60.14 1ggw s THR 40 Cb 0.00 -3.49 0.34 0.00 1.34 0.00 0.00 72.50 70.69 1ggw s THR 40 CO 0.00 -0.32 2.04 -0.07 -0.54 0.00 0.00 174.62 175.72 1ggw h LEU 41 N 0.49 0.10 -1.07 4.79 -0.00 -1.98 -0.50 115.31 117.13 1ggw h LEU 41 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.40 1ggw h LEU 41 Cb 1.25 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.85 1ggw h LEU 41 CO 0.57 0.06 0.43 0.00 -0.00 0.00 0.00 178.44 179.50 1ggw h ALA 42 N 1.80 1.29 0.39 1.53 0.00 -1.98 -0.55 119.26 121.74 1ggw h ALA 42 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ggw h ALA 42 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ggw h ALA 42 CO -0.02 0.58 -0.19 0.93 0.00 0.00 0.00 179.25 180.55 1ggw h GLU 43 N 1.09 -0.51 -0.59 0.00 3.07 -1.47 -0.37 114.58 115.79 1ggw h GLU 43 Ca 0.28 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.23 1ggw h GLU 43 Cb 0.02 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 1ggw h GLU 43 CO -0.05 -0.20 0.29 -0.84 -1.40 0.00 0.00 179.01 176.81 1ggw h ILE 44 N -0.83 0.91 -0.92 3.13 -2.65 -1.43 -1.01 117.51 114.71 1ggw h ILE 44 Ca -0.05 -0.19 -0.01 0.00 1.03 0.00 0.00 64.86 65.64 1ggw h ILE 44 Cb 0.54 0.32 -0.04 0.00 -2.05 0.00 0.00 36.82 35.59 1ggw h ILE 44 CO 0.09 0.10 0.52 0.74 0.03 0.00 0.00 178.15 179.63 1ggw h THR 45 N 0.54 1.26 -0.89 0.16 2.02 -1.11 -1.94 112.91 112.95 1ggw h THR 45 Ca 0.27 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.89 1ggw h THR 45 Cb 0.22 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1ggw h THR 45 CO -0.20 0.28 0.59 -0.08 0.37 0.00 0.00 175.52 176.47 1ggw h GLU 46 N 1.27 1.07 0.18 6.66 4.57 0.18 -1.76 114.58 126.75 1ggw h GLU 46 Ca 0.32 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1ggw h GLU 46 Cb -0.01 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1ggw h GLU 46 CO -0.06 0.71 -0.09 0.82 -1.18 0.00 0.00 179.01 179.22 1ggw h ILE 47 N 1.10 0.87 -0.13 2.32 2.04 -0.51 -2.14 117.51 121.06 1ggw h ILE 47 Ca 0.36 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1ggw h ILE 47 Cb 0.05 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1ggw h ILE 47 CO -0.11 0.05 0.20 -0.33 0.00 0.00 0.00 178.15 177.95 1ggw h GLU 48 N -0.33 0.00 0.00 2.37 5.08 -0.96 -1.12 114.58 119.62 1ggw h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ggw h GLU 48 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ggw h GLU 48 CO 0.04 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.50 1ggw n SER 49 N -3.53 0.00 -0.01 1.42 2.88 -0.71 -3.41 113.62 110.26 1ggw n SER 49 Ca 0.00 0.47 -0.02 0.00 -1.33 0.00 0.00 58.87 57.99 1ggw n SER 49 Cb 0.30 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.48 0.13 -3.02 2.46 -2.24 -0.44 -5.06 114.28 104.64 1ggw n THR 50 Ca 0.01 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1ggw n THR 50 Cb 0.06 -1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 67.09 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 -5.77 3.85 0.53 3.22 2.01 -1.14 -5.03 118.68 116.34 1ggw s LEU 51 Ca -0.03 0.77 -0.18 0.00 0.01 0.00 0.00 54.13 54.69 1ggw s LEU 51 Cb 0.01 -3.66 -0.13 0.00 0.01 0.00 0.00 46.19 42.42 1ggw s LEU 51 CO 0.05 -0.40 0.04 -2.65 1.01 0.00 0.00 176.35 174.40 1ggw n PRO 52 N -1.76 0.14 -0.18 1.29 -0.02 -1.26 -4.66 135.00 128.55 1ggw n PRO 52 Ca -0.01 0.05 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1ggw n PRO 52 Cb 0.55 -1.19 -0.04 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.58 -0.28 -2.65 3.55 0.00 -1.26 -4.01 120.51 114.28 1ggw n ALA 53 Ca 0.09 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1ggw n ALA 53 Cb 0.47 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -4.23 4.21 -0.97 0.00 2.02 -1.26 -4.91 118.70 113.56 1ggw s GLU 54 Ca -0.05 1.15 -0.20 0.00 0.02 0.00 0.00 54.97 55.89 1ggw s GLU 54 Cb 0.05 -3.65 0.11 0.00 0.10 0.00 0.00 34.13 30.74 1ggw s GLU 54 CO 0.27 -0.59 1.24 0.08 0.02 0.00 0.00 175.26 176.28 1ggw s VAL 55 N 3.05 4.51 0.90 2.63 1.01 -1.08 -4.83 120.40 126.59 1ggw s VAL 55 Ca 0.40 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1ggw s VAL 55 Cb -0.15 -4.87 0.20 0.00 0.00 0.00 0.00 36.38 31.56 1ggw s VAL 55 CO 0.07 -1.64 1.23 -0.90 0.00 0.00 0.00 175.10 173.86 1ggw n ASP 56 N 7.17 0.56 -0.32 3.32 5.68 -1.26 -2.19 116.55 129.51 1ggw n ASP 56 Ca 0.27 -1.73 0.13 0.00 -0.50 0.00 0.00 54.79 52.96 1ggw n ASP 56 Cb 0.49 -0.90 0.26 0.00 -1.14 0.00 0.00 41.12 39.84 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 0.04 0.07 0.11 2.86 -1.95 0.88 114.93 116.94 1ggw h MET 57 Ca -0.40 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1ggw h MET 57 Cb 1.21 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1ggw h MET 57 CO 0.33 0.03 -0.03 1.49 1.06 0.00 0.00 176.91 179.78 1ggw h GLU 58 N 0.04 -0.09 -0.04 1.72 4.81 -1.92 -1.32 114.58 117.78 1ggw h GLU 58 Ca 0.56 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.82 1ggw h GLU 58 Cb 1.12 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1ggw h GLU 58 CO -0.85 0.26 -0.09 1.96 -0.73 0.00 0.00 179.01 179.56 1ggw h GLN 59 N -0.45 -0.13 0.08 1.92 7.50 -1.46 0.27 115.11 122.85 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 0.39 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1ggw h GLN 59 CO 0.02 -0.08 -0.04 0.35 -1.50 0.00 0.00 178.83 177.57 1ggw h PHE 60 N -0.13 -0.10 0.00 2.96 3.57 -0.97 -2.46 116.94 119.80 1ggw h PHE 60 Ca 0.05 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ggw h PHE 60 Cb 0.20 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1ggw h PHE 60 CO -0.17 0.05 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.82 1ggw h LEU 61 N -0.23 0.00 0.11 0.59 3.38 -1.11 -1.90 115.31 116.15 1ggw h LEU 61 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ggw h LEU 61 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ggw h LEU 61 CO 0.02 0.07 -0.05 1.56 0.09 0.00 0.00 178.44 180.12 1ggw h GLN 62 N 0.00 -0.14 -0.55 1.13 1.08 0.01 0.69 115.11 117.33 1ggw h GLN 62 Ca -0.00 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1ggw h GLN 62 Cb 0.16 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1ggw h GLN 62 CO 0.01 0.14 0.05 -0.39 -0.95 0.00 0.00 178.83 177.70 1ggw h VAL 63 N -0.42 1.26 0.55 -0.54 -1.51 -1.23 -3.00 116.25 111.36 1ggw h VAL 63 Ca -0.01 -1.03 -0.03 0.00 -1.23 0.00 0.00 66.70 64.40 1ggw h VAL 63 Cb 0.35 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1ggw h VAL 63 CO 0.02 0.37 -0.26 0.25 -1.23 0.00 0.00 177.57 176.72 1ggw h LEU 64 N 0.82 -0.63 -5.72 4.19 5.85 -1.34 -3.32 115.31 115.17 1ggw h LEU 64 Ca 0.16 0.02 -0.73 0.00 0.84 0.00 0.00 57.88 58.17 1ggw h LEU 64 Cb 0.46 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 1ggw h LEU 64 CO 0.02 -0.22 2.65 0.59 -0.34 0.00 0.00 178.44 181.13 1ggw n ASN 65 N -5.25 7.28 0.15 1.25 5.03 0.24 -4.69 115.26 119.26 1ggw n ASN 65 Ca -0.09 -3.01 -0.13 0.00 0.87 0.00 0.00 54.58 52.21 1ggw n ASN 65 Cb 0.29 -1.44 -0.06 0.00 -1.02 0.00 0.00 39.78 37.55 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1ggw h ARG 66 N 5.01 -0.49 -0.82 3.52 2.47 -1.63 -2.23 114.38 120.21 1ggw h ARG 66 Ca 0.66 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.41 1ggw h ARG 66 Cb 0.39 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1ggw h ARG 66 CO 1.60 -0.32 0.00 -0.35 0.56 0.00 0.00 179.97 181.45 1ggw n PRO 67 N -5.37 2.05 -1.85 0.04 -0.04 -1.26 -4.97 135.00 123.59 1ggw n PRO 67 Ca -0.08 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1ggw n PRO 67 Cb 0.28 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.17 -7.30 0.00 3.54 4.13 -0.84 -5.01 115.26 109.94 1ggw n ASN 68 Ca 0.08 1.22 0.00 0.00 1.68 0.00 0.00 54.58 57.55 1ggw n ASN 68 Cb 0.49 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggw n GLY 69 N 1.34 2.52 3.95 7.41 0.00 -1.26 -4.97 105.19 114.17 1ggw n GLY 69 Ca 0.00 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.18 2.47 -0.95 1.61 0.08 -1.26 -4.54 117.98 113.20 1ggw s PHE 70 Ca 0.00 -0.52 -0.18 0.00 0.12 0.00 0.00 56.93 56.35 1ggw s PHE 70 Cb 0.00 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1ggw s PHE 70 CO 0.00 -0.42 0.59 -0.40 -0.10 0.00 0.00 175.22 174.89 1ggw n ASP 71 N -1.78 -4.04 0.02 1.36 5.68 -1.26 -4.65 116.55 111.88 1ggw n ASP 71 Ca 0.07 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1ggw n ASP 71 Cb 0.61 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1ggw n MET 72 N -3.71 0.00 -0.34 0.11 0.00 -1.26 -4.98 117.12 106.93 1ggw n MET 72 Ca -0.19 0.00 0.20 0.00 0.00 0.00 0.00 57.70 57.70 1ggw n MET 72 Cb 0.57 0.00 0.42 0.00 0.00 0.00 0.00 33.22 34.22 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 0.49 0.00 2.12 0.11 -1.83 -3.47 132.00 129.43 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 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1ggw h PRO 73 CO 0.00 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 1ggw n GLY 74 N -1.34 0.00 3.77 -0.55 0.00 -1.26 -4.95 105.19 100.85 1ggw n GLY 74 Ca 0.27 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1ggw n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggw s ASP 75 N 0.00 5.93 0.10 1.61 1.11 -1.26 -4.83 116.67 119.34 1ggw s ASP 75 Ca 0.00 2.89 -0.29 0.00 0.18 0.00 0.00 52.55 55.33 1ggw s ASP 75 Cb 0.00 -2.65 -0.10 0.00 1.07 0.00 0.00 42.92 41.23 1ggw s ASP 75 CO 0.00 -1.13 1.63 -0.65 1.18 0.00 0.00 175.17 176.20 1ggw h PRO 76 N 2.37 -0.54 0.00 8.23 0.11 -1.98 0.80 132.00 140.99 1ggw h PRO 76 Ca -0.51 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1ggw h PRO 76 Cb 1.26 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1ggw h PRO 76 CO 0.61 -0.36 -0.31 1.05 -0.21 0.00 0.00 178.00 178.78 1ggw h GLU 77 N -0.56 0.00 -0.00 1.05 9.09 -1.93 -2.63 114.58 119.59 1ggw h GLU 77 Ca 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ggw h GLU 77 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1ggw h GLU 77 CO -0.11 0.31 -0.01 1.49 0.05 0.00 0.00 179.01 180.74 1ggw h GLU 78 N 0.00 0.02 -0.64 1.06 4.81 -1.82 -2.29 114.58 115.72 1ggw h GLU 78 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1ggw h GLU 78 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1ggw h GLU 78 CO 0.04 0.61 0.18 0.27 -0.73 0.00 0.00 179.01 179.38 1ggw h PHE 79 N -0.58 1.01 0.23 0.92 -5.15 -0.85 -1.50 116.94 111.02 1ggw h PHE 79 Ca -0.00 -0.09 -0.01 0.00 -0.20 0.00 0.00 57.97 57.66 1ggw h PHE 79 Cb 0.61 -0.29 0.00 0.00 0.22 0.00 0.00 35.95 36.49 1ggw h PHE 79 CO 0.13 0.81 -0.11 0.28 -2.00 0.00 0.00 178.31 177.43 1ggw h VAL 80 N 0.94 0.85 0.00 0.88 2.07 -1.53 -2.51 116.25 116.95 1ggw h VAL 80 Ca 0.21 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1ggw h VAL 80 Cb 0.29 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ggw h VAL 80 CO -0.01 0.11 -0.04 0.11 0.02 0.00 0.00 177.57 177.77 1ggw h LYS 81 N -0.57 0.00 0.18 1.57 6.56 -1.36 0.24 116.57 123.19 1ggw h LYS 81 Ca -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1ggw h LYS 81 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1ggw h LYS 81 CO 0.05 0.04 -0.08 0.78 -2.06 0.00 0.00 179.45 178.18 1ggw h GLY 82 N 0.12 -0.25 1.48 3.86 0.00 -1.14 -3.35 103.07 103.80 1ggw h GLY 82 Ca -0.00 0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.15 1ggw h GLY 82 CO 0.01 -0.09 -1.15 0.74 0.00 0.00 0.00 176.54 176.05 1ggw h PHE 83 N -0.73 0.70 -0.27 5.60 0.04 -1.34 -3.39 116.94 117.56 1ggw h PHE 83 Ca -0.02 -0.44 -0.61 0.00 2.80 0.00 0.00 57.97 59.69 1ggw h PHE 83 Cb 0.51 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1ggw h PHE 83 CO 0.06 1.30 2.27 0.94 -0.60 0.00 0.00 178.31 182.28 1ggw n GLN 84 N -3.69 2.24 0.10 1.51 0.00 0.83 -3.86 117.38 114.51 1ggw n GLN 84 Ca -0.10 -2.47 0.00 0.00 -0.00 0.00 0.00 57.00 54.43 1ggw n GLN 84 Cb 0.95 -3.30 0.00 0.00 0.00 0.00 0.00 30.24 27.89 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ggw n VAL 85 N 6.19 0.00 -2.67 1.69 0.31 -1.26 -4.80 118.33 117.79 1ggw n VAL 85 Ca 0.49 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.74 1ggw n VAL 85 Cb 0.42 -0.40 0.05 0.00 -0.91 0.00 0.00 33.84 33.00 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ggw n PHE 86 N -3.08 0.41 -3.48 3.52 3.72 -1.25 -4.99 117.46 112.30 1ggw n PHE 86 Ca 0.00 -2.58 -0.27 0.00 -0.05 0.00 0.00 57.45 54.55 1ggw n PHE 86 Cb 0.00 0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.20 1.70 -0.06 4.37 9.92 -1.26 -4.95 116.55 126.08 1ggw n ASP 87 Ca 0.06 -2.95 -0.11 0.00 -0.53 0.00 0.00 54.79 51.26 1ggw n ASP 87 Cb 0.83 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 40.60 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ggw h LYS 88 N 4.77 0.30 0.00 -1.24 1.63 -1.94 -3.38 116.57 116.71 1ggw h LYS 88 Ca 0.17 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1ggw h LYS 88 Cb 0.80 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1ggw h LYS 88 CO 0.61 0.45 0.00 -3.47 -3.45 0.00 0.00 179.45 173.59 1ggw n ASP 89 N -4.77 0.00 -0.87 4.20 -0.08 -1.26 -5.06 116.55 108.71 1ggw n ASP 89 Ca -0.04 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1ggw n ASP 89 Cb 0.18 -0.44 -0.00 0.00 2.34 0.00 0.00 41.12 43.20 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -1.91 -0.05 0.00 -1.67 0.00 -1.26 -4.79 120.51 110.83 1ggw n ALA 90 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ggw n ALA 90 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -1.76 0.00 1.27 0.00 -1.04 -1.26 -3.91 114.28 107.58 1ggw n THR 91 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1ggw n THR 91 Cb 0.01 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.15 3.61 3.41 0.00 -1.26 -4.80 105.19 106.29 1ggw n GLY 92 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.75 0.65 -0.00 1.61 0.23 -1.25 -4.45 119.30 114.33 1ggw s MET 93 Ca 0.27 0.50 0.07 0.00 -1.03 0.00 0.00 55.69 55.49 1ggw s MET 93 Cb 0.14 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1ggw s MET 93 CO 0.21 -0.13 -0.21 -1.50 -2.03 0.00 0.00 175.02 171.36 1ggw s ILE 94 N -0.27 1.63 -0.90 3.16 -1.16 -1.26 -4.19 121.20 118.20 1ggw s ILE 94 Ca -0.00 -0.95 -0.03 0.00 -0.51 0.00 0.00 60.65 59.16 1ggw s ILE 94 Cb -0.03 -1.37 0.22 0.00 0.61 0.00 0.00 42.46 41.89 1ggw s ILE 94 CO -0.01 0.40 0.80 -0.83 -2.81 0.00 0.00 174.94 172.48 1ggw s GLY 95 N -0.64 3.05 0.34 1.50 0.00 -1.26 -2.76 107.32 107.54 1ggw s GLY 95 Ca 0.08 -3.79 0.13 0.00 0.00 0.00 0.00 44.72 41.14 1ggw s GLY 95 CO -0.00 1.21 1.63 -2.08 0.00 0.00 0.00 173.10 173.86 1ggw h VAL 96 N 4.12 0.20 -0.70 1.40 2.07 -1.51 0.25 116.25 122.08 1ggw h VAL 96 Ca 0.15 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1ggw h VAL 96 Cb 0.83 -0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 1ggw h VAL 96 CO 0.86 0.04 0.11 1.23 0.02 0.00 0.00 177.57 179.83 1ggw h GLY 97 N 0.20 0.89 1.03 2.17 0.00 -1.74 0.53 103.07 106.16 1ggw h GLY 97 Ca 0.73 0.01 -0.31 0.00 0.00 0.00 0.00 47.33 47.76 1ggw h GLY 97 CO -0.68 -0.21 -1.42 0.83 0.00 0.00 0.00 176.54 175.07 1ggw h GLU 98 N 0.21 0.45 -0.43 4.80 3.07 -0.95 -2.45 114.58 119.28 1ggw h GLU 98 Ca 0.39 -0.77 0.05 0.00 -0.50 0.00 0.00 59.36 58.53 1ggw h GLU 98 Cb 0.65 0.29 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1ggw h GLU 98 CO -0.53 1.37 0.15 1.37 -1.40 0.00 0.00 179.01 179.97 1ggw h LEU 99 N 0.01 0.15 -0.37 1.33 8.10 -0.24 -2.02 115.31 122.27 1ggw h LEU 99 Ca -0.26 0.05 -0.19 0.00 0.11 0.00 0.00 57.88 57.59 1ggw h LEU 99 Cb 2.03 0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 42.29 1ggw h LEU 99 CO 0.22 0.12 -0.67 0.03 -4.11 0.00 0.00 178.44 174.03 1ggw h ARG 100 N 0.31 0.59 -0.96 0.17 -0.00 -0.09 -2.84 114.38 111.56 1ggw h ARG 100 Ca 0.20 -0.44 0.15 0.00 -0.50 0.00 0.00 59.98 59.39 1ggw h ARG 100 Cb 0.19 0.08 -0.08 0.00 0.00 0.00 0.00 29.97 30.16 1ggw h ARG 100 CO -0.21 1.06 0.61 -0.92 0.00 0.00 0.00 179.97 180.51 1ggw h TYR 101 N 0.43 0.97 -0.00 3.04 3.20 -0.90 0.49 116.97 124.19 1ggw h TYR 101 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ggw h TYR 101 Cb 1.25 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1ggw h TYR 101 CO 0.06 0.32 -0.08 0.28 -1.64 0.00 0.00 178.16 177.10 1ggw h VAL 102 N 0.79 1.58 -0.39 1.81 2.07 -1.35 -3.26 116.25 117.50 1ggw h VAL 102 Ca 0.50 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 1ggw h VAL 102 Cb 0.73 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1ggw h VAL 102 CO -0.27 0.48 0.06 -0.07 0.02 0.00 0.00 177.57 177.79 1ggw h LEU 103 N -0.65 0.55 -1.55 2.57 3.38 -1.17 -2.58 115.31 115.85 1ggw h LEU 103 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ggw h LEU 103 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ggw h LEU 103 CO 0.02 0.59 0.02 0.74 0.09 0.00 0.00 178.44 179.89 1ggw h THR 104 N 0.58 1.13 0.00 0.22 2.02 -0.14 -1.84 112.91 114.87 1ggw h THR 104 Ca 0.13 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ggw h THR 104 Cb 0.28 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ggw h THR 104 CO 0.00 0.16 0.00 0.28 0.37 0.00 0.00 175.52 176.33 1ggw h SER 105 N 0.30 0.00 0.00 4.18 0.02 -1.49 -2.69 113.55 113.87 1ggw h SER 105 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ggw h SER 105 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ggw h SER 105 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1ggw n LEU 106 N -2.61 0.11 -2.71 5.07 4.77 -0.69 -4.76 117.00 116.17 1ggw n LEU 106 Ca 0.01 0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 56.72 1ggw n LEU 106 Cb 0.25 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1ggw n LEU 106 CO 0.23 -0.41 0.38 0.61 -1.33 0.00 0.00 177.39 176.86 1ggw n GLY 107 N -0.31 1.33 3.31 -0.72 0.00 -1.25 -4.98 105.19 102.56 1ggw n GLY 107 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.39 -6.37 0.00 1.61 1.02 -1.01 -5.03 120.64 110.47 1ggw n GLU 108 Ca 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1ggw n GLU 108 Cb 0.82 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ggw n LYS 109 N -4.02 2.83 -2.07 3.49 4.76 -1.26 -4.64 118.16 117.26 1ggw n LYS 109 Ca -0.25 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.90 1ggw n LYS 109 Cb 0.65 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.78 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 3.18 0.00 -0.35 4.77 -1.26 -4.90 117.00 118.44 1ggw n LEU 110 Ca 0.00 -3.21 -0.17 0.00 -0.03 0.00 0.00 56.01 52.60 1ggw n LEU 110 Cb 0.00 -1.73 0.16 0.00 -2.33 0.00 0.00 43.42 39.51 1ggw n LEU 110 CO 0.00 -1.72 0.21 -1.54 -1.33 0.00 0.00 177.39 173.02 1ggw n SER 111 N 14.03 -2.93 -0.25 -1.43 3.41 -1.26 -4.55 113.62 120.63 1ggw n SER 111 Ca 0.45 -0.55 0.26 0.00 -0.26 0.00 0.00 58.87 58.78 1ggw n SER 111 Cb 0.46 -0.55 0.63 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.74 0.19 0.18 4.04 -1.07 -1.94 -1.87 115.58 112.36 1ggw h ASN 112 Ca -0.22 0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.17 1ggw h ASN 112 Cb 0.72 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 1ggw h ASN 112 CO 0.13 0.06 -0.09 -0.08 0.07 0.00 0.00 177.43 177.52 1ggw h GLU 113 N 0.18 -0.23 0.17 4.14 4.57 -1.97 0.43 114.58 121.87 1ggw h GLU 113 Ca 0.50 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.70 1ggw h GLU 113 Cb 1.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.27 1ggw h GLU 113 CO -0.11 -0.12 -0.19 1.49 -1.18 0.00 0.00 179.01 178.90 1ggw h GLU 114 N -0.29 -0.39 0.00 1.92 4.57 -1.62 -2.10 114.58 116.68 1ggw h GLU 114 Ca -0.02 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1ggw h GLU 114 Cb 0.22 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1ggw h GLU 114 CO 0.04 -0.26 -0.21 0.00 -1.18 0.00 0.00 179.01 177.40 1ggw h MET 115 N -0.40 0.00 -0.19 1.92 -0.00 -1.51 -2.71 114.93 112.04 1ggw h MET 115 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.72 1ggw h MET 115 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.97 1ggw h MET 115 CO -0.06 0.21 0.08 -0.44 -0.00 0.00 0.00 176.91 176.71 1ggw h ASP 116 N 0.00 0.11 -0.54 -0.10 3.32 0.55 0.19 116.42 119.95 1ggw h ASP 116 Ca -0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1ggw h ASP 116 Cb 0.48 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1ggw h ASP 116 CO 0.03 0.09 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.24 1ggw h GLU 117 N 0.18 1.00 -0.72 3.56 5.08 -1.29 -1.72 114.58 120.66 1ggw h GLU 117 Ca 0.08 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1ggw h GLU 117 Cb 0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1ggw h GLU 117 CO -0.07 1.03 0.34 1.37 -1.00 0.00 0.00 179.01 180.69 1ggw h LEU 118 N 0.87 0.94 -0.92 1.33 8.10 -1.16 -2.35 115.31 122.11 1ggw h LEU 118 Ca 0.14 -0.14 -0.11 0.00 0.11 0.00 0.00 57.88 57.89 1ggw h LEU 118 Cb 0.63 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1ggw h LEU 118 CO 0.04 0.81 -0.37 -0.07 -4.11 0.00 0.00 178.44 174.75 1ggw h LEU 119 N 1.01 0.34 -0.72 0.17 3.38 -0.51 -1.59 115.31 117.39 1ggw h LEU 119 Ca 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ggw h LEU 119 Cb 0.12 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ggw h LEU 119 CO -0.03 0.68 0.28 0.50 0.09 0.00 0.00 178.44 179.96 1ggw h LYS 120 N 0.28 1.08 -0.01 1.13 3.64 -0.84 -3.18 116.57 118.67 1ggw h LYS 120 Ca 0.03 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1ggw h LYS 120 Cb 0.78 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1ggw h LYS 120 CO 0.06 0.89 -0.50 0.78 -2.27 0.00 0.00 179.45 178.41 1ggw h GLY 121 N 1.03 0.40 -4.74 5.01 0.00 -1.28 -3.44 103.07 100.05 1ggw h GLY 121 Ca 0.24 -0.68 -0.56 0.00 0.00 0.00 0.00 47.33 46.33 1ggw h GLY 121 CO -0.02 0.60 0.60 0.14 0.00 0.00 0.00 176.54 177.86 1ggw s VAL 122 N -3.22 4.69 -1.09 4.60 1.01 -0.61 -4.94 120.40 120.84 1ggw s VAL 122 Ca -0.14 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 63.71 1ggw s VAL 122 Cb 0.03 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1ggw s VAL 122 CO 0.80 -0.00 2.26 -2.65 0.00 0.00 0.00 175.10 175.51 1ggw n PRO 123 N 5.08 2.39 -4.45 2.72 -0.02 -1.26 -4.76 135.00 134.70 1ggw n PRO 123 Ca 0.09 -1.79 -0.23 0.00 -2.02 0.00 0.00 63.50 59.56 1ggw n PRO 123 Cb 0.48 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ggw s VAL 124 N 3.43 0.64 -0.38 -1.45 -7.23 -1.26 -5.08 120.40 109.06 1ggw s VAL 124 Ca 0.50 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1ggw s VAL 124 Cb 0.13 -2.49 0.44 0.00 0.56 0.00 0.00 36.38 35.01 1ggw s VAL 124 CO -0.02 0.00 1.10 1.17 -0.31 0.00 0.00 175.10 177.04 1ggw n LYS 125 N -0.76 3.02 0.00 4.82 3.00 -1.26 -4.73 118.16 122.25 1ggw n LYS 125 Ca -0.03 -4.19 0.00 0.00 -0.00 0.00 0.00 58.31 54.08 1ggw n LYS 125 Cb 0.65 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ggw n ASP 126 N -0.46 0.00 0.00 3.14 5.75 -1.26 -5.02 116.55 118.70 1ggw n ASP 126 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 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 0.80 3.47 6.12 0.00 -1.26 -2.08 105.19 112.24 1ggw n GLY 127 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.39 3.55 -0.03 1.61 0.00 -1.11 -2.97 119.30 120.74 1ggw s MET 128 Ca 0.00 -0.57 0.23 0.00 0.00 0.00 0.00 55.69 55.34 1ggw s MET 128 Cb 0.00 -3.52 0.39 0.00 0.00 0.00 0.00 34.83 31.70 1ggw s MET 128 CO 0.00 -0.31 1.15 0.28 0.00 0.00 0.00 175.02 176.14 1ggw n VAL 129 N 4.99 0.13 -1.84 10.11 0.31 -1.26 -4.89 118.33 125.87 1ggw n VAL 129 Ca -0.14 -1.09 -0.20 0.00 -0.01 0.00 0.00 64.34 62.89 1ggw n VAL 129 Cb 0.50 0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 34.35 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 0.31 -5.46 -4.15 4.52 2.85 -1.26 -2.49 115.26 109.57 1ggw n ASN 130 Ca 0.02 0.34 -0.32 0.00 -0.11 0.00 0.00 54.58 54.51 1ggw n ASN 130 Cb 1.06 -4.74 -0.03 0.00 1.24 0.00 0.00 39.78 37.31 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 -2.84 -1.64 -0.00 1.20 9.36 -1.26 -4.81 117.16 117.16 1ggw n TYR 131 Ca -0.21 0.76 -0.03 0.00 3.32 0.00 0.00 57.90 61.74 1ggw n TYR 131 Cb 0.67 -3.16 -0.01 0.00 -0.63 0.00 0.00 39.34 36.21 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ggw n HIS 132 N -4.40 0.00 -0.20 2.98 8.25 -1.04 -4.51 115.22 116.31 1ggw n HIS 132 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1ggw n HIS 132 Cb 0.58 -0.09 0.25 0.00 1.12 0.00 0.00 29.99 31.84 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 -0.11 0.84 0.45 0.41 3.58 -1.89 0.29 116.42 119.99 1ggw h ASP 133 Ca -0.06 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 1ggw h ASP 133 Cb 0.81 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1ggw h ASP 133 CO -0.03 0.62 -0.22 -0.26 -2.88 0.00 0.00 179.24 176.48 1ggw h PHE 134 N 0.98 -0.56 -0.11 0.28 0.04 -1.89 -2.67 116.94 113.01 1ggw h PHE 134 Ca 0.26 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 1ggw h PHE 134 Cb -0.08 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1ggw h PHE 134 CO 0.00 -0.23 -0.08 0.28 -0.60 0.00 0.00 178.31 177.68 1ggw h VAL 135 N -0.92 1.12 0.51 -0.55 2.07 -1.76 -2.40 116.25 114.32 1ggw h VAL 135 Ca -0.06 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1ggw h VAL 135 Cb 0.57 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ggw h VAL 135 CO 0.10 0.16 -0.25 -0.61 0.02 0.00 0.00 177.57 177.00 1ggw h GLN 136 N 0.15 -0.66 -0.52 1.57 4.15 -0.37 0.86 115.11 120.29 1ggw h GLN 136 Ca 0.03 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1ggw h GLN 136 Cb 0.24 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1ggw h GLN 136 CO 0.01 -0.43 0.18 1.98 -1.93 0.00 0.00 178.83 178.64 1ggw h MET 137 N -0.71 0.77 -0.57 1.69 4.05 -1.37 -2.62 114.93 116.17 1ggw h MET 137 Ca -0.07 -0.12 -0.10 0.00 -0.28 0.00 0.00 59.70 59.13 1ggw h MET 137 Cb 0.54 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1ggw h MET 137 CO 0.12 0.65 -0.04 0.82 0.23 0.00 0.00 176.91 178.69 1ggw h ILE 138 N 0.75 1.26 -1.48 1.77 2.04 -1.22 -3.10 117.51 117.53 1ggw h ILE 138 Ca 0.18 -1.17 -0.63 0.00 1.00 0.00 0.00 64.86 64.23 1ggw h ILE 138 Cb 0.19 0.86 -0.23 0.00 -0.74 0.00 0.00 36.82 36.91 1ggw h ILE 138 CO -0.01 0.42 0.75 0.18 0.00 0.00 0.00 178.15 179.49 1ggw n LEU 139 N -4.17 7.07 -2.74 1.44 4.32 0.28 -4.60 117.00 118.60 1ggw n LEU 139 Ca 0.02 -4.41 -0.03 0.00 -0.02 0.00 0.00 56.01 51.57 1ggw n LEU 139 Cb 0.36 -1.13 0.02 0.00 -1.62 0.00 0.00 43.42 41.05 1ggw n LEU 139 CO 0.44 1.70 0.27 0.00 -1.22 0.00 0.00 177.39 178.58 1ggw s ALA 140 N -3.00 -3.08 0.00 -1.18 0.00 -1.17 -4.94 121.76 108.38 1ggw s ALA 140 Ca 0.55 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ggw s ALA 140 Cb 0.41 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1ggw s ALA 140 CO -0.29 -2.36 0.12 0.09 0.00 0.00 0.00 175.76 173.32